smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1nocc1CN[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001436781079 1088329895 /nfs/dbraw/zinc/32/98/95/1088329895.db2.gz BAZLGHDJEOYRDU-QZTJIDSGSA-N 1 3 348.491 2.094 10 0 EEAEHO CCc1nocc1CN[C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001436781079 1088329908 /nfs/dbraw/zinc/32/99/08/1088329908.db2.gz BAZLGHDJEOYRDU-QZTJIDSGSA-N 1 3 348.491 2.094 10 0 EEAEHO C[C@@H](F)CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001436999270 1088746773 /nfs/dbraw/zinc/74/67/73/1088746773.db2.gz MQNLTAYQVJDYDQ-CVEARBPZSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@@H](F)CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001436999270 1088746787 /nfs/dbraw/zinc/74/67/87/1088746787.db2.gz MQNLTAYQVJDYDQ-CVEARBPZSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccc(Cl)s1 ZINC001437126179 1089109092 /nfs/dbraw/zinc/10/90/92/1089109092.db2.gz BUOHCRGTSZNCMR-NQBHXWOUSA-N 1 3 329.897 2.336 10 0 EEAEHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccc(Cl)s1 ZINC001437126179 1089109100 /nfs/dbraw/zinc/10/91/00/1089109100.db2.gz BUOHCRGTSZNCMR-NQBHXWOUSA-N 1 3 329.897 2.336 10 0 EEAEHO Cc1ccc(C)c(CN(C)CCNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001437458061 1089767328 /nfs/dbraw/zinc/76/73/28/1089767328.db2.gz OARHDJASBNCHSA-IBGZPJMESA-N 1 3 329.488 2.193 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(Cc2conc2C)C1 ZINC001437925226 1090518755 /nfs/dbraw/zinc/51/87/55/1090518755.db2.gz PVMLHPJFSFRWNE-AEFFLSMTSA-N 1 3 348.491 2.186 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(Cc2conc2C)C1 ZINC001437925226 1090518760 /nfs/dbraw/zinc/51/87/60/1090518760.db2.gz PVMLHPJFSFRWNE-AEFFLSMTSA-N 1 3 348.491 2.186 10 0 EEAEHO C[C@H](CNCc1nsc2ccccc12)CNC(=O)CC[NH+](C)C ZINC001438522419 1091015442 /nfs/dbraw/zinc/01/54/42/1091015442.db2.gz SBELWJVYXPUYIS-CYBMUJFWSA-N 1 3 334.489 2.090 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@@H](C)c1ccccc1 ZINC001440201961 1093273331 /nfs/dbraw/zinc/27/33/31/1093273331.db2.gz SHWSJAQPJBEQNO-PKOBYXMFSA-N 1 3 347.503 2.031 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2Cc3ccccc3CN2CC2CC2)C1 ZINC001440533691 1093796142 /nfs/dbraw/zinc/79/61/42/1093796142.db2.gz GIDRTYIKZLUJDX-XLIONFOSSA-N 1 3 341.499 2.281 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2Cc3ccccc3CN2CC2CC2)C1 ZINC001440533691 1093796151 /nfs/dbraw/zinc/79/61/51/1093796151.db2.gz GIDRTYIKZLUJDX-XLIONFOSSA-N 1 3 341.499 2.281 10 0 EEAEHO C[C@@H](NCc1ccc(F)cn1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001440824921 1094077060 /nfs/dbraw/zinc/07/70/60/1094077060.db2.gz OBKKFMYVCKRBNQ-KGLIPLIRSA-N 1 3 336.455 2.078 10 0 EEAEHO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](NCC=C(Cl)Cl)C(C)(C)C2)C1 ZINC001449086215 1094098377 /nfs/dbraw/zinc/09/83/77/1094098377.db2.gz OAPYIIICZLPVQR-QWHCGFSZSA-N 1 3 348.318 2.474 10 0 EEAEHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](NCC=C(Cl)Cl)C(C)(C)C2)C1 ZINC001449086215 1094098382 /nfs/dbraw/zinc/09/83/82/1094098382.db2.gz OAPYIIICZLPVQR-QWHCGFSZSA-N 1 3 348.318 2.474 10 0 EEAEHO CC(C)N(CC[N@H+](C)CC[C@H]1CCCCO1)C(=O)[C@@H]1CCCN1C ZINC001449256694 1094205666 /nfs/dbraw/zinc/20/56/66/1094205666.db2.gz GFTXPAJJHBPZEC-MSOLQXFVSA-N 1 3 339.524 2.209 10 0 EEAEHO CC(C)N(CC[N@@H+](C)CC[C@H]1CCCCO1)C(=O)[C@@H]1CCCN1C ZINC001449256694 1094205669 /nfs/dbraw/zinc/20/56/69/1094205669.db2.gz GFTXPAJJHBPZEC-MSOLQXFVSA-N 1 3 339.524 2.209 10 0 EEAEHO Cc1cnc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCCN2C)C(C)(C)C)s1 ZINC001449299129 1094251919 /nfs/dbraw/zinc/25/19/19/1094251919.db2.gz MBHUFYDCFQKYRY-KBPBESRZSA-N 1 3 338.521 2.166 10 0 EEAEHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccnc2)C1)CC(C)(C)C ZINC001441362289 1094882446 /nfs/dbraw/zinc/88/24/46/1094882446.db2.gz AKKDJKYUYNWBNK-QAQDUYKDSA-N 1 3 332.492 2.044 10 0 EEAEHO Cc1ccc(F)c(CN[C@@H](C)CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001441879025 1096002422 /nfs/dbraw/zinc/00/24/22/1096002422.db2.gz XBYRSAGHJUYAMH-HNNXBMFYSA-N 1 3 333.451 2.357 10 0 EEAEHO CC[C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCC1CC1 ZINC001443990662 1098506980 /nfs/dbraw/zinc/50/69/80/1098506980.db2.gz VGOYDGDSLAYJAJ-QAPCUYQASA-N 1 3 327.488 2.483 10 0 EEAEHO CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1CCOCC1CC1 ZINC001479637893 1098666312 /nfs/dbraw/zinc/66/63/12/1098666312.db2.gz IYJYDGAHZCGGBS-ZWKOTPCHSA-N 1 3 349.519 2.011 10 0 EEAEHO CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001479744127 1098873603 /nfs/dbraw/zinc/87/36/03/1098873603.db2.gz AFAMFVRXVHXNGP-HOTGVXAUSA-N 1 3 339.524 2.112 10 0 EEAEHO CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001479744127 1098873610 /nfs/dbraw/zinc/87/36/10/1098873610.db2.gz AFAMFVRXVHXNGP-HOTGVXAUSA-N 1 3 339.524 2.112 10 0 EEAEHO CCCN(C)CC(=O)N(C)C1CC[NH+](C[C@H]2CCO[C@H](C)C2)CC1 ZINC001479896105 1099276128 /nfs/dbraw/zinc/27/61/28/1099276128.db2.gz WUEMTVISVSSHOW-SJORKVTESA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480240595 1099874898 /nfs/dbraw/zinc/87/48/98/1099874898.db2.gz YIBYVJITYNFOEJ-FGTMMUONSA-N 1 3 348.491 2.230 10 0 EEAEHO CN(CCN(C)C(=O)CC[NH+](C)C)Cc1ccc(C(F)F)cc1 ZINC001445030697 1100199203 /nfs/dbraw/zinc/19/92/03/1100199203.db2.gz UFSSDEBIVWZZJL-UHFFFAOYSA-N 1 3 327.419 2.466 10 0 EEAEHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1cc(F)cc(F)c1 ZINC001480527539 1100358989 /nfs/dbraw/zinc/35/89/89/1100358989.db2.gz WPMFIJLIBXZOEU-IPYPFGDCSA-N 1 3 339.430 2.289 10 0 EEAEHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1cc(F)cc(F)c1 ZINC001480527539 1100359000 /nfs/dbraw/zinc/35/90/00/1100359000.db2.gz WPMFIJLIBXZOEU-IPYPFGDCSA-N 1 3 339.430 2.289 10 0 EEAEHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC[C@H]1CCCCO1 ZINC001480537251 1100366840 /nfs/dbraw/zinc/36/68/40/1100366840.db2.gz NBVHOYRDJBAYHX-JKSUJKDBSA-N 1 3 327.513 2.018 10 0 EEAEHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]CC1CC(F)(F)C1 ZINC001480547485 1100381892 /nfs/dbraw/zinc/38/18/92/1100381892.db2.gz AWNIMGBBEJKIPH-KGLIPLIRSA-N 1 3 331.451 2.391 10 0 EEAEHO COCCCC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001496358217 1100951577 /nfs/dbraw/zinc/95/15/77/1100951577.db2.gz OOVAILCJSISZKD-SJORKVTESA-N 1 3 341.540 2.218 10 0 EEAEHO Cc1ccncc1C[NH2+]C[C@]1(C)CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001446614529 1101118324 /nfs/dbraw/zinc/11/83/24/1101118324.db2.gz QSMNMVIJGZQIIQ-UZLBHIALSA-N 1 3 344.503 2.060 10 0 EEAEHO Cc1ncccc1C[NH2+][C@@H](CNC(=O)[C@H]1CCCN1C(C)C)C(C)C ZINC001496559107 1101160261 /nfs/dbraw/zinc/16/02/61/1101160261.db2.gz TWJZRRLTIXEECI-RBUKOAKNSA-N 1 3 346.519 2.493 10 0 EEAEHO C[C@H](C[NH2+]CC[C@@H]1CCCCO1)N(C)C(=O)CN1CCC(C)CC1 ZINC001496194804 1102200268 /nfs/dbraw/zinc/20/02/68/1102200268.db2.gz KSKYVCAITHWNBW-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CO[C@@H](C[N@@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1)C1CCC1 ZINC001447309250 1102423980 /nfs/dbraw/zinc/42/39/80/1102423980.db2.gz ZZPONWLCZDKITC-ROUUACIJSA-N 1 3 339.524 2.112 10 0 EEAEHO CO[C@@H](C[N@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1)C1CCC1 ZINC001447309250 1102423982 /nfs/dbraw/zinc/42/39/82/1102423982.db2.gz ZZPONWLCZDKITC-ROUUACIJSA-N 1 3 339.524 2.112 10 0 EEAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/CNCc1cccc(F)c1 ZINC001497598127 1102725731 /nfs/dbraw/zinc/72/57/31/1102725731.db2.gz ACLPMHYMFMKSKW-ZMUQKWFASA-N 1 3 333.451 2.462 10 0 EEAEHO C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C/CNCc1cccc(F)c1 ZINC001497598127 1102725745 /nfs/dbraw/zinc/72/57/45/1102725745.db2.gz ACLPMHYMFMKSKW-ZMUQKWFASA-N 1 3 333.451 2.462 10 0 EEAEHO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCCN2C)cc1F ZINC001497610709 1102745600 /nfs/dbraw/zinc/74/56/00/1102745600.db2.gz KAZGPTSYJZOKLO-VGOKWCNXSA-N 1 3 349.450 2.081 10 0 EEAEHO C[C@H](CN[C@@H]1CCc2c1c(F)ccc2F)NC(=O)CCC[NH+](C)C ZINC001497895314 1103274654 /nfs/dbraw/zinc/27/46/54/1103274654.db2.gz OSPAGFCTZKPSQU-MLGOLLRUSA-N 1 3 339.430 2.388 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001494083030 1103494681 /nfs/dbraw/zinc/49/46/81/1103494681.db2.gz LICPYNYROJKQRD-PKOBYXMFSA-N 1 3 344.503 2.284 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001494083030 1103494684 /nfs/dbraw/zinc/49/46/84/1103494684.db2.gz LICPYNYROJKQRD-PKOBYXMFSA-N 1 3 344.503 2.284 10 0 EEAEHO CO[C@H](C)CN1CC([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001448319219 1104381866 /nfs/dbraw/zinc/38/18/66/1104381866.db2.gz ZQEBEYUFQXAXHB-HUUCEWRRSA-N 1 3 339.524 2.111 10 0 EEAEHO CO[C@H](C)CN1CC([C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001448319219 1104381873 /nfs/dbraw/zinc/38/18/73/1104381873.db2.gz ZQEBEYUFQXAXHB-HUUCEWRRSA-N 1 3 339.524 2.111 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001480637403 1106803513 /nfs/dbraw/zinc/80/35/13/1106803513.db2.gz QKYDVLQZGNDDAR-RJOCJTBNSA-N 1 3 327.472 2.232 10 0 EEAEHO CO[C@H](C)CN1CCC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001493123326 1107541023 /nfs/dbraw/zinc/54/10/23/1107541023.db2.gz YOHHPLSSFOPUHO-WBVHZDCISA-N 1 3 339.524 2.255 10 0 EEAEHO CO[C@H](C)CN1CCC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001493123326 1107541029 /nfs/dbraw/zinc/54/10/29/1107541029.db2.gz YOHHPLSSFOPUHO-WBVHZDCISA-N 1 3 339.524 2.255 10 0 EEAEHO CCc1nocc1CNCCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001498552976 1107709764 /nfs/dbraw/zinc/70/97/64/1107709764.db2.gz TXKHRRQWGZOAGE-QGZVFWFLSA-N 1 3 336.480 2.048 10 0 EEAEHO CCc1nocc1CNCCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001498552976 1107709779 /nfs/dbraw/zinc/70/97/79/1107709779.db2.gz TXKHRRQWGZOAGE-QGZVFWFLSA-N 1 3 336.480 2.048 10 0 EEAEHO C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001479322640 1110681398 /nfs/dbraw/zinc/68/13/98/1110681398.db2.gz XWCFGZNITBOLIG-OIPACUDHSA-N 1 3 345.478 2.431 10 0 EEAEHO Cc1ccc(CN2CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C2)c(C)n1 ZINC001500519056 1112910704 /nfs/dbraw/zinc/91/07/04/1112910704.db2.gz JPEWRCQNZLZYKK-FQEVSTJZSA-N 1 3 346.519 2.368 10 0 EEAEHO CC[C@@H](F)CNCCN(Cc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001501200098 1113239082 /nfs/dbraw/zinc/23/90/82/1113239082.db2.gz PMNFDQCGYPABIB-GOSISDBHSA-N 1 3 347.478 2.449 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)CCCN(C)Cc1cccnc1)[NH+]1CCCC1 ZINC001502400975 1113666669 /nfs/dbraw/zinc/66/66/69/1113666669.db2.gz FGTMNJJUSCBQEY-IBGZPJMESA-N 1 3 346.519 2.482 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC[C@@H]2[C@H]3C[N@@H+](CC4=CCCCC4)C[C@H]32)C1 ZINC001506809045 1114889248 /nfs/dbraw/zinc/88/92/48/1114889248.db2.gz GEHLUWVTEBVALH-DSLXNQLJSA-N 1 3 331.504 2.123 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC[C@@H]2[C@H]3C[N@H+](CC4=CCCCC4)C[C@H]32)C1 ZINC001506809045 1114889252 /nfs/dbraw/zinc/88/92/52/1114889252.db2.gz GEHLUWVTEBVALH-DSLXNQLJSA-N 1 3 331.504 2.123 10 0 EEAEHO Cc1ccncc1CN[C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001507160872 1115141418 /nfs/dbraw/zinc/14/14/18/1115141418.db2.gz GUYACDBRPQIKEG-IEBWSBKVSA-N 1 3 346.519 2.447 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001567976535 1124213979 /nfs/dbraw/zinc/21/39/79/1124213979.db2.gz FLJKWKDVSBMPDG-GOEBONIOSA-N 1 3 340.899 2.306 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC/C=C\C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001568920012 1124947164 /nfs/dbraw/zinc/94/71/64/1124947164.db2.gz NFXNYDFRKHFERX-RXYHWBRQSA-N 1 3 340.471 2.272 10 0 EEAEHO COc1cc(CNC/C=C/CNC(=O)C[C@H]2CC[N@H+](C)C2)ccc1C ZINC001568949428 1124982842 /nfs/dbraw/zinc/98/28/42/1124982842.db2.gz CIZJLALKPVRWNZ-SHCNBLLESA-N 1 3 345.487 2.107 10 0 EEAEHO COc1cc(CNC/C=C/CNC(=O)C[C@H]2CC[N@@H+](C)C2)ccc1C ZINC001568949428 1124982845 /nfs/dbraw/zinc/98/28/45/1124982845.db2.gz CIZJLALKPVRWNZ-SHCNBLLESA-N 1 3 345.487 2.107 10 0 EEAEHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCCN[C@H](C)c1cnccn1 ZINC001569246650 1125192486 /nfs/dbraw/zinc/19/24/86/1125192486.db2.gz KUWAXPRQWLKVBR-AEFFLSMTSA-N 1 3 347.507 2.239 10 0 EEAEHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CCCN[C@H](C)c1cnccn1 ZINC001569246650 1125192488 /nfs/dbraw/zinc/19/24/88/1125192488.db2.gz KUWAXPRQWLKVBR-AEFFLSMTSA-N 1 3 347.507 2.239 10 0 EEAEHO CCN(CC)[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)Cc1ccccc1 ZINC000422825756 240247625 /nfs/dbraw/zinc/24/76/25/240247625.db2.gz BAYKNVONTYSVAE-ACRUOGEOSA-N 1 3 345.531 2.296 10 0 EEAEHO C[C@@H]([NH3+])[C@H](c1ccccc1Br)N1CCCN(C)CC1 ZINC000043091040 204211717 /nfs/dbraw/zinc/21/17/17/204211717.db2.gz KLFLRIAZVOBJKM-IUODEOHRSA-N 1 3 326.282 2.475 10 0 EEAEHO CCN1CC[C@H](C[NH2+][C@H](C)[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000267207515 256037650 /nfs/dbraw/zinc/03/76/50/256037650.db2.gz GWKDRMBOGDJHGP-GGPKGHCWSA-N 1 3 331.504 2.380 10 0 EEAEHO CC(C)[NH+]1CCC(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000073010011 292169243 /nfs/dbraw/zinc/16/92/43/292169243.db2.gz QGHAWGWJUDABHS-IBGZPJMESA-N 1 3 331.504 2.396 10 0 EEAEHO COc1cnccc1N1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000357677254 153284169 /nfs/dbraw/zinc/28/41/69/153284169.db2.gz SPSWZDGAHPZPGN-MRXNPFEDSA-N 1 3 346.475 2.003 10 0 EEAEHO COc1cnccc1N1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000357677254 153284175 /nfs/dbraw/zinc/28/41/75/153284175.db2.gz SPSWZDGAHPZPGN-MRXNPFEDSA-N 1 3 346.475 2.003 10 0 EEAEHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cncnc1 ZINC000374283048 154030549 /nfs/dbraw/zinc/03/05/49/154030549.db2.gz IRUSPBOZWJMJJN-UHFFFAOYSA-N 1 3 331.508 2.105 10 0 EEAEHO C[C@@H](CNC(=O)N[C@H](Cc1ccccc1)CN(C)C)C[NH+]1CCCC1 ZINC000127962217 292333760 /nfs/dbraw/zinc/33/37/60/292333760.db2.gz WMWCXIWGJDRMBI-PKOBYXMFSA-N 1 3 346.519 2.190 10 0 EEAEHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000343441074 161136337 /nfs/dbraw/zinc/13/63/37/161136337.db2.gz IPMKVJVCVWKCKK-KBXCAEBGSA-N 1 3 335.467 2.437 10 0 EEAEHO CC[NH+](CC)CC1CCN(CCn2cnc3ccccc3c2=O)CC1 ZINC000343915724 161180283 /nfs/dbraw/zinc/18/02/83/161180283.db2.gz XLWVFJZMYQTNRV-UHFFFAOYSA-N 1 3 342.487 2.450 10 0 EEAEHO CC[NH+](CC)CCSCC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000345502217 161306572 /nfs/dbraw/zinc/30/65/72/161306572.db2.gz HFVQHJJKHHHVAJ-HZPDHXFCSA-N 1 3 329.554 2.441 10 0 EEAEHO CC[C@@H]1C[C@H](C[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CCO1 ZINC000355681406 163268460 /nfs/dbraw/zinc/26/84/60/163268460.db2.gz ZDLIRFHNZQGQRK-IEBWSBKVSA-N 1 3 347.503 2.273 10 0 EEAEHO CN1CC[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000272679785 269007682 /nfs/dbraw/zinc/00/76/82/269007682.db2.gz RXEZRNYTINYAMK-QZTJIDSGSA-N 1 3 344.503 2.463 10 0 EEAEHO CN(C)CC[NH+]1CCC(Nc2ccncc2Br)CC1 ZINC000274835410 269061020 /nfs/dbraw/zinc/06/10/20/269061020.db2.gz UHHZHHSQHFCKMY-UHFFFAOYSA-N 1 3 327.270 2.282 10 0 EEAEHO CN1CC[C@H](NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[C@H]1c1ccccc1 ZINC000333658711 312179318 /nfs/dbraw/zinc/17/93/18/312179318.db2.gz WSNDSWJKCKKOMH-XCDZQEORSA-N 1 3 342.487 2.201 10 0 EEAEHO COc1ccccc1/C=C/CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414971309 313117416 /nfs/dbraw/zinc/11/74/16/313117416.db2.gz IAWPQRGMRRCORB-MQDFFIGUSA-N 1 3 343.393 2.134 10 0 EEAEHO C[N@@H+]1CCC[C@H](CCNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000416254456 313206770 /nfs/dbraw/zinc/20/67/70/313206770.db2.gz VICBWVAIBZJFBM-QGZVFWFLSA-N 1 3 329.488 2.283 10 0 EEAEHO C[N@H+]1CCC[C@H](CCNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000416254456 313206774 /nfs/dbraw/zinc/20/67/74/313206774.db2.gz VICBWVAIBZJFBM-QGZVFWFLSA-N 1 3 329.488 2.283 10 0 EEAEHO Cc1cc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)ccn1 ZINC000529566443 317612395 /nfs/dbraw/zinc/61/23/95/317612395.db2.gz ORXDVNSUCSJETD-UHFFFAOYSA-N 1 3 344.503 2.204 10 0 EEAEHO COCCOc1cccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530248564 317704516 /nfs/dbraw/zinc/70/45/16/317704516.db2.gz MPYFYQDEELDULX-FQEVSTJZSA-N 1 3 348.487 2.302 10 0 EEAEHO CN(CCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)c1cc[nH+]cc1 ZINC000541856494 318112303 /nfs/dbraw/zinc/11/23/03/318112303.db2.gz LVPIEGPCPLLDDX-AZUAARDMSA-N 1 3 338.455 2.470 10 0 EEAEHO CCc1ccccc1[C@@H](N)CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000562808927 318933328 /nfs/dbraw/zinc/93/33/28/318933328.db2.gz ZFXKOXJEZXMPLP-FPOVZHCZSA-N 1 3 337.467 2.296 10 0 EEAEHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000564310244 319077325 /nfs/dbraw/zinc/07/73/25/319077325.db2.gz VTHZGBBNCUOJNN-DOTOQJQBSA-N 1 3 332.492 2.194 10 0 EEAEHO C[NH+]1CCC(CCNC(=O)Nc2ccc3c(c2F)CCNC3)CC1 ZINC000576210302 320151035 /nfs/dbraw/zinc/15/10/35/320151035.db2.gz FBJZDIWRJSCBIC-UHFFFAOYSA-N 1 3 334.439 2.325 10 0 EEAEHO CN(C)C[C@H](NC(=O)NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000193203054 465028016 /nfs/dbraw/zinc/02/80/16/465028016.db2.gz UCSCVXBGCCYPRH-SFHVURJKSA-N 1 3 332.492 2.465 10 0 EEAEHO C[C@H](CC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)[S@](C)=O ZINC000358320455 465057239 /nfs/dbraw/zinc/05/72/39/465057239.db2.gz POSRCWVGQSPPJP-GTQRCTGISA-N 1 3 326.506 2.435 10 0 EEAEHO CC1CC[NH+](CCNC(=O)N[C@@H](CN(C)C)c2ccccc2)CC1 ZINC000048215968 462874569 /nfs/dbraw/zinc/87/45/69/462874569.db2.gz XBBZQAFAGNYVFJ-SFHVURJKSA-N 1 3 332.492 2.320 10 0 EEAEHO Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000052591019 463093581 /nfs/dbraw/zinc/09/35/81/463093581.db2.gz ACFRZGLZCCJNEM-IBGZPJMESA-N 1 3 344.503 2.307 10 0 EEAEHO Cc1ccccc1C[N@@H+]1CCCN(C(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000052591019 463093586 /nfs/dbraw/zinc/09/35/86/463093586.db2.gz ACFRZGLZCCJNEM-IBGZPJMESA-N 1 3 344.503 2.307 10 0 EEAEHO CCC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N(C)C ZINC000162001252 463475575 /nfs/dbraw/zinc/47/55/75/463475575.db2.gz WDZMYMXSXQDRHS-MOPGFXCFSA-N 1 3 331.504 2.398 10 0 EEAEHO CCC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC000162001252 463475579 /nfs/dbraw/zinc/47/55/79/463475579.db2.gz WDZMYMXSXQDRHS-MOPGFXCFSA-N 1 3 331.504 2.398 10 0 EEAEHO C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000057825514 463521360 /nfs/dbraw/zinc/52/13/60/463521360.db2.gz LJWNXLVYCJMWSX-ZWKOTPCHSA-N 1 3 330.476 2.044 10 0 EEAEHO C[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000057825514 463521365 /nfs/dbraw/zinc/52/13/65/463521365.db2.gz LJWNXLVYCJMWSX-ZWKOTPCHSA-N 1 3 330.476 2.044 10 0 EEAEHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000163259180 463576801 /nfs/dbraw/zinc/57/68/01/463576801.db2.gz LVYWPIGOTRUKBO-UONOGXRCSA-N 1 3 325.478 2.051 10 0 EEAEHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000163259180 463576802 /nfs/dbraw/zinc/57/68/02/463576802.db2.gz LVYWPIGOTRUKBO-UONOGXRCSA-N 1 3 325.478 2.051 10 0 EEAEHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000163259180 463576808 /nfs/dbraw/zinc/57/68/08/463576808.db2.gz LVYWPIGOTRUKBO-UONOGXRCSA-N 1 3 325.478 2.051 10 0 EEAEHO CN(C)C[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000193642022 463723911 /nfs/dbraw/zinc/72/39/11/463723911.db2.gz CTVQAJUSJVMGHB-IBGZPJMESA-N 1 3 344.503 2.463 10 0 EEAEHO CN1CC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000179091945 464054683 /nfs/dbraw/zinc/05/46/83/464054683.db2.gz GYOJMLQHBHCJBF-MOPGFXCFSA-N 1 3 342.487 2.358 10 0 EEAEHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000246576106 464602487 /nfs/dbraw/zinc/60/24/87/464602487.db2.gz RVLZYYNPUGYZEO-NEPXVJNWSA-N 1 3 348.535 2.373 10 0 EEAEHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000246576106 464602490 /nfs/dbraw/zinc/60/24/90/464602490.db2.gz RVLZYYNPUGYZEO-NEPXVJNWSA-N 1 3 348.535 2.373 10 0 EEAEHO CN1CCC[C@@H]1CNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000249135315 464846851 /nfs/dbraw/zinc/84/68/51/464846851.db2.gz HDNSBJHPHSNAFQ-QUCCMNQESA-N 1 3 344.503 2.435 10 0 EEAEHO CN1CCC[C@@H]1CNC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000249135315 464846854 /nfs/dbraw/zinc/84/68/54/464846854.db2.gz HDNSBJHPHSNAFQ-QUCCMNQESA-N 1 3 344.503 2.435 10 0 EEAEHO CN1CCCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000298740187 465488968 /nfs/dbraw/zinc/48/89/68/465488968.db2.gz JRJOHWCFFWWVNL-UHFFFAOYSA-N 1 3 330.476 2.130 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)CC1 ZINC000356931978 465638112 /nfs/dbraw/zinc/63/81/12/465638112.db2.gz IMSVUYKDVCNHHK-QZTJIDSGSA-N 1 3 331.504 2.421 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H]([C@@H](C)O)C2)CC1 ZINC000356931978 465638120 /nfs/dbraw/zinc/63/81/20/465638120.db2.gz IMSVUYKDVCNHHK-QZTJIDSGSA-N 1 3 331.504 2.421 10 0 EEAEHO COc1cc(Br)ccc1CNCCOCC[NH+](C)C ZINC000349249230 466035860 /nfs/dbraw/zinc/03/58/60/466035860.db2.gz CNPOXPSFRUIYOH-UHFFFAOYSA-N 1 3 331.254 2.126 10 0 EEAEHO C[C@@H](CN(C)C)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000349849870 466272040 /nfs/dbraw/zinc/27/20/40/466272040.db2.gz SZADEAVBOLWVPY-INIZCTEOSA-N 1 3 332.492 2.422 10 0 EEAEHO CN1CC[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000367538611 466401382 /nfs/dbraw/zinc/40/13/82/466401382.db2.gz QXOHPSVLSUJAQU-ACRUOGEOSA-N 1 3 343.515 2.481 10 0 EEAEHO C[N@@H+]1CC[C@H](NCc2ccccc2CN2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000367538611 466401391 /nfs/dbraw/zinc/40/13/91/466401391.db2.gz QXOHPSVLSUJAQU-ACRUOGEOSA-N 1 3 343.515 2.481 10 0 EEAEHO C[N@H+]1CC[C@H](NCc2ccccc2CN2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000367538611 466401396 /nfs/dbraw/zinc/40/13/96/466401396.db2.gz QXOHPSVLSUJAQU-ACRUOGEOSA-N 1 3 343.515 2.481 10 0 EEAEHO CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423478135 466754514 /nfs/dbraw/zinc/75/45/14/466754514.db2.gz TVNSMQINLMJLOC-RYQLBKOJSA-N 1 3 331.439 2.179 10 0 EEAEHO CC[C@@H](Cn1cncn1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423478135 466754520 /nfs/dbraw/zinc/75/45/20/466754520.db2.gz TVNSMQINLMJLOC-RYQLBKOJSA-N 1 3 331.439 2.179 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000417087928 466776199 /nfs/dbraw/zinc/77/61/99/466776199.db2.gz IRTYDVJPZGHUOP-CRAIPNDOSA-N 1 3 344.503 2.121 10 0 EEAEHO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCN2CCC1CC2 ZINC000370284383 466824331 /nfs/dbraw/zinc/82/43/31/466824331.db2.gz BZBVMXPCNKTTHO-LJQANCHMSA-N 1 3 342.487 2.313 10 0 EEAEHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](N)c1ccccc1 ZINC000418232438 467080945 /nfs/dbraw/zinc/08/09/45/467080945.db2.gz DQULLVPEWHHXER-ROUUACIJSA-N 1 3 332.492 2.496 10 0 EEAEHO CN(CCN(Cc1ccccc1)C(=O)NCC[NH3+])Cc1ccccc1 ZINC000418295006 467089139 /nfs/dbraw/zinc/08/91/39/467089139.db2.gz IAKCDANRCMQBNZ-UHFFFAOYSA-N 1 3 340.471 2.289 10 0 EEAEHO CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418467685 467115484 /nfs/dbraw/zinc/11/54/84/467115484.db2.gz OVHIFIPZOKEZRA-MSOLQXFVSA-N 1 3 332.492 2.420 10 0 EEAEHO C[C@@H](O)CN(C)Cc1cc(C[N@H+](C)C[C@@H](C)O)cc(C(F)(F)F)c1 ZINC000451050035 467234896 /nfs/dbraw/zinc/23/48/96/467234896.db2.gz MALFBTTXXUQECC-CHWSQXEVSA-N 1 3 348.409 2.331 10 0 EEAEHO C[C@@H](O)CN(C)Cc1cc(C[N@@H+](C)C[C@@H](C)O)cc(C(F)(F)F)c1 ZINC000451050035 467234900 /nfs/dbraw/zinc/23/49/00/467234900.db2.gz MALFBTTXXUQECC-CHWSQXEVSA-N 1 3 348.409 2.331 10 0 EEAEHO COc1ccc([C@@H](C[NH3+])CN2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000420372711 467382469 /nfs/dbraw/zinc/38/24/69/467382469.db2.gz LUUSBTCHLLMWQA-CVEARBPZSA-N 1 3 342.443 2.487 10 0 EEAEHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000420372711 467382472 /nfs/dbraw/zinc/38/24/72/467382472.db2.gz LUUSBTCHLLMWQA-CVEARBPZSA-N 1 3 342.443 2.487 10 0 EEAEHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000420372711 467382475 /nfs/dbraw/zinc/38/24/75/467382475.db2.gz LUUSBTCHLLMWQA-CVEARBPZSA-N 1 3 342.443 2.487 10 0 EEAEHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCOCCOc2ccccc2)CC1 ZINC000420382338 467387864 /nfs/dbraw/zinc/38/78/64/467387864.db2.gz PRANTTRXRIONHY-VQTJNVASSA-N 1 3 348.487 2.300 10 0 EEAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCC(=O)N(C)C2)CC1 ZINC000449155904 467621197 /nfs/dbraw/zinc/62/11/97/467621197.db2.gz CLABHWZTBILBEA-APWZRJJASA-N 1 3 329.488 2.292 10 0 EEAEHO CC(C)C[C@H]([NH2+][C@@H]1CS[C@@H](C(C)C)C1)C(=O)NCCN(C)C ZINC000488434147 468086952 /nfs/dbraw/zinc/08/69/52/468086952.db2.gz OTYMKIMXIYHMGR-HRCADAONSA-N 1 3 329.554 2.199 10 0 EEAEHO COCC[NH2+]C1CCN(C(=O)Nc2ccccc2CCN(C)C)CC1 ZINC000571290434 468767297 /nfs/dbraw/zinc/76/72/97/468767297.db2.gz FQGJOYAUSVUGMB-UHFFFAOYSA-N 1 3 348.491 2.023 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572368165 468923691 /nfs/dbraw/zinc/92/36/91/468923691.db2.gz VVTDXLANXAAKRY-SJORKVTESA-N 1 3 345.487 2.089 10 0 EEAEHO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000593602251 469055126 /nfs/dbraw/zinc/05/51/26/469055126.db2.gz NCOJTRKWIAOKGB-OAHLLOKOSA-N 1 3 328.497 2.181 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)N[C@H]2CCCN(C)C2)[NH+](C)C)cc1 ZINC000618547108 469385447 /nfs/dbraw/zinc/38/54/47/469385447.db2.gz BTLCZIBBTGSJDB-ZWKOTPCHSA-N 1 3 332.492 2.245 10 0 EEAEHO CCCN1CCN(c2ccccc2CN[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000629660370 469601271 /nfs/dbraw/zinc/60/12/71/469601271.db2.gz SLAONZNEPFEBHV-HKUYNNGSSA-N 1 3 330.520 2.449 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000617505488 469703089 /nfs/dbraw/zinc/70/30/89/469703089.db2.gz FBJJJHPBNOJIID-SCWSEQNSSA-N 1 3 343.515 2.279 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000617505488 469703091 /nfs/dbraw/zinc/70/30/91/469703091.db2.gz FBJJJHPBNOJIID-SCWSEQNSSA-N 1 3 343.515 2.279 10 0 EEAEHO COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Cl)c1 ZINC000617505463 469703327 /nfs/dbraw/zinc/70/33/27/469703327.db2.gz DBCUPDNQZTWNDI-ZDUSSCGKSA-N 1 3 341.883 2.350 10 0 EEAEHO COc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Cl)c1 ZINC000617505463 469703328 /nfs/dbraw/zinc/70/33/28/469703328.db2.gz DBCUPDNQZTWNDI-ZDUSSCGKSA-N 1 3 341.883 2.350 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(c2cccc(F)c2)CC1 ZINC000617505945 469703386 /nfs/dbraw/zinc/70/33/86/469703386.db2.gz WBAWHRRHKYTXCS-HNNXBMFYSA-N 1 3 335.467 2.246 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(c2cccc(F)c2)CC1 ZINC000617505945 469703389 /nfs/dbraw/zinc/70/33/89/469703389.db2.gz WBAWHRRHKYTXCS-HNNXBMFYSA-N 1 3 335.467 2.246 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccnn1C1CCCC1 ZINC000617506684 469707084 /nfs/dbraw/zinc/70/70/84/469707084.db2.gz VYPZSNRAMISXMA-HNNXBMFYSA-N 1 3 335.496 2.000 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccnn1C1CCCC1 ZINC000617506684 469707089 /nfs/dbraw/zinc/70/70/89/469707089.db2.gz VYPZSNRAMISXMA-HNNXBMFYSA-N 1 3 335.496 2.000 10 0 EEAEHO CC(C)c1scnc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617508020 469708054 /nfs/dbraw/zinc/70/80/54/469708054.db2.gz RXLUXMBWBSRKGR-ZDUSSCGKSA-N 1 3 326.510 2.268 10 0 EEAEHO CC(C)c1scnc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617508020 469708059 /nfs/dbraw/zinc/70/80/59/469708059.db2.gz RXLUXMBWBSRKGR-ZDUSSCGKSA-N 1 3 326.510 2.268 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000626939237 469762942 /nfs/dbraw/zinc/76/29/42/469762942.db2.gz WSHLONOKVGKGEC-ZWKOTPCHSA-N 1 3 344.503 2.263 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N(C)C2CCN(Cc3ccccc3)CC2)C[NH2+]1 ZINC000627199487 469841884 /nfs/dbraw/zinc/84/18/84/469841884.db2.gz YBJDBZSBSDRZEJ-AEFFLSMTSA-N 1 3 344.503 2.433 10 0 EEAEHO CCN(C(=O)NC/C=C\C[NH3+])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000641869647 470505768 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346.471 2.234 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000654657715 471117271 /nfs/dbraw/zinc/11/72/71/471117271.db2.gz PSZGYRCTCKGHIV-KDURUIRLSA-N 1 3 344.503 2.244 10 0 EEAEHO O[C@]1(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000651944422 471179969 /nfs/dbraw/zinc/17/99/69/471179969.db2.gz VIBWGRJWXLVSHJ-PLACYPQZSA-N 1 3 344.499 2.418 10 0 EEAEHO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658138785 471270369 /nfs/dbraw/zinc/27/03/69/471270369.db2.gz OBOPUGXHKZLSKV-UXHICEINSA-N 1 3 342.487 2.264 10 0 EEAEHO CCc1ccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000663683220 471473124 /nfs/dbraw/zinc/47/31/24/471473124.db2.gz ZOBROHWACGLGQH-AWEZNQCLSA-N 1 3 340.537 2.382 10 0 EEAEHO CCc1ccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000663683220 471473127 /nfs/dbraw/zinc/47/31/27/471473127.db2.gz ZOBROHWACGLGQH-AWEZNQCLSA-N 1 3 340.537 2.382 10 0 EEAEHO CN1CCC[C@H](NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000669403189 471479452 /nfs/dbraw/zinc/47/94/52/471479452.db2.gz ODHSIRBVSYHHJS-ZWKOTPCHSA-N 1 3 326.444 2.233 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000663762994 471506882 /nfs/dbraw/zinc/50/68/82/471506882.db2.gz FONNGJPSGFGIMP-ROUUACIJSA-N 1 3 346.519 2.331 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000663762994 471506887 /nfs/dbraw/zinc/50/68/87/471506887.db2.gz FONNGJPSGFGIMP-ROUUACIJSA-N 1 3 346.519 2.331 10 0 EEAEHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H](CN)C(F)(F)F)CC1 ZINC000655911673 471534377 /nfs/dbraw/zinc/53/43/77/471534377.db2.gz LGYXIMVKDRTFNE-ZDUSSCGKSA-N 1 3 338.418 2.030 10 0 EEAEHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](CN)C(F)(F)F)CC1 ZINC000655911673 471534384 /nfs/dbraw/zinc/53/43/84/471534384.db2.gz LGYXIMVKDRTFNE-ZDUSSCGKSA-N 1 3 338.418 2.030 10 0 EEAEHO [NH3+]Cc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1 ZINC000659307971 471575178 /nfs/dbraw/zinc/57/51/78/471575178.db2.gz SDPMTQOQMWYEJJ-CHWSQXEVSA-N 1 3 332.322 2.068 10 0 EEAEHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccnn2-c2ccncc2)C1 ZINC000667682009 471864649 /nfs/dbraw/zinc/86/46/49/471864649.db2.gz XMCJKJSLEMEGJN-LJQANCHMSA-N 1 3 343.475 2.200 10 0 EEAEHO c1cc2c(cc1[C@H]([NH2+]C[C@@H]1CCC3(CNC3)O1)C1CC1)OCCO2 ZINC000662281307 472054360 /nfs/dbraw/zinc/05/43/60/472054360.db2.gz JIPDNAZUYKGUOH-MAUKXSAKSA-N 1 3 330.428 2.020 10 0 EEAEHO Cc1cccc2c1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC2 ZINC000665763057 472177590 /nfs/dbraw/zinc/17/75/90/472177590.db2.gz XVZJVYLSTKRNPA-KRWDZBQOSA-N 1 3 346.519 2.335 10 0 EEAEHO Cc1cccc2c1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC2 ZINC000665763057 472177592 /nfs/dbraw/zinc/17/75/92/472177592.db2.gz XVZJVYLSTKRNPA-KRWDZBQOSA-N 1 3 346.519 2.335 10 0 EEAEHO CC[NH+]1CCC(N[C@@]2(CO)CCCN(Cc3ccccc3)C2)CC1 ZINC000679045160 485572668 /nfs/dbraw/zinc/57/26/68/485572668.db2.gz SXIVDGJKWADZBX-FQEVSTJZSA-N 1 3 331.504 2.087 10 0 EEAEHO C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000679393927 485681305 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330.476 2.043 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H](NC(=O)CCN2CCc3ccccc3C2)C1 ZINC000416202334 529016503 /nfs/dbraw/zinc/01/65/03/529016503.db2.gz IQTRTANDPSZARB-LJQANCHMSA-N 1 3 329.488 2.424 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H](NC(=O)CCN2CCc3ccccc3C2)C1 ZINC000416202334 529016507 /nfs/dbraw/zinc/01/65/07/529016507.db2.gz IQTRTANDPSZARB-LJQANCHMSA-N 1 3 329.488 2.424 10 0 EEAEHO CN(C)C[C@H]1CC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000246752232 535965741 /nfs/dbraw/zinc/96/57/41/535965741.db2.gz AFFKHBBILSSBHZ-NVXWUHKLSA-N 1 3 326.868 2.101 10 0 EEAEHO CN(C)C[C@H]1CC[N@@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000246752232 535965745 /nfs/dbraw/zinc/96/57/45/535965745.db2.gz AFFKHBBILSSBHZ-NVXWUHKLSA-N 1 3 326.868 2.101 10 0 EEAEHO Cc1cc(Br)cc(C[NH2+]CC2(O)CCN(C)CC2)c1 ZINC000775007493 577426115 /nfs/dbraw/zinc/42/61/15/577426115.db2.gz NUELAHWVDUCSBM-UHFFFAOYSA-N 1 3 327.266 2.304 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc(Cl)n1 ZINC000841848192 681245284 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C[C@H](CNCc1ccc(Cl)nc1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268094666 1181734065 /nfs/dbraw/zinc/73/40/65/1181734065.db2.gz POSBEMKFOWFZGJ-ZIAGYGMSSA-N 1 3 338.883 2.013 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001268414954 1182571498 /nfs/dbraw/zinc/57/14/98/1182571498.db2.gz NMPNWVINKRYPPA-GXTWGEPZSA-N 1 3 326.872 2.060 10 0 EEAEHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cc(F)ccc1C ZINC001481850559 1182799719 /nfs/dbraw/zinc/79/97/19/1182799719.db2.gz NMOTWMMDNCGPAJ-KDOFPFPSSA-N 1 3 335.467 2.460 10 0 EEAEHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cc(F)ccc1C ZINC001481850560 1182800324 /nfs/dbraw/zinc/80/03/24/1182800324.db2.gz NMOTWMMDNCGPAJ-KSSFIOAISA-N 1 3 335.467 2.460 10 0 EEAEHO CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1ccc(Cl)nc1 ZINC001481867497 1182838293 /nfs/dbraw/zinc/83/82/93/1182838293.db2.gz CLJIRJKWJMUGBY-HIFRSBDPSA-N 1 3 338.883 2.061 10 0 EEAEHO CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1ccc(Cl)nc1 ZINC001481867497 1182838297 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339.524 2.114 10 0 EEAEHO CCOCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001270959112 1185773775 /nfs/dbraw/zinc/77/37/75/1185773775.db2.gz SHDAQRRPVABHPZ-HKUYNNGSSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1[NH2+]CCCF ZINC001271395911 1186186574 /nfs/dbraw/zinc/18/65/74/1186186574.db2.gz UHNJKSVHOKOHKI-CVEARBPZSA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1cc(C[NH2+][C@H](CNC(=O)CN(C)C2CCC2)C(C)C)sn1 ZINC001482531466 1186525971 /nfs/dbraw/zinc/52/59/71/1186525971.db2.gz AHQCJIONXCFSMF-MRXNPFEDSA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1cnc([C@H](C)NCC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)cn1 ZINC001482876039 1187795613 /nfs/dbraw/zinc/79/56/13/1187795613.db2.gz FUTHWAJKVKFMIX-ZBFHGGJFSA-N 1 3 347.507 2.062 10 0 EEAEHO Cc1cnc([C@@H](C)NCC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)cn1 ZINC001482876037 1187795676 /nfs/dbraw/zinc/79/56/76/1187795676.db2.gz FUTHWAJKVKFMIX-GOEBONIOSA-N 1 3 347.507 2.062 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCCOCC)C2 ZINC001671044383 1193552822 /nfs/dbraw/zinc/55/28/22/1193552822.db2.gz GFPGOOAFCCSOKI-LJQANCHMSA-N 1 3 339.524 2.069 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCOCC)C2 ZINC001671044383 1193552825 /nfs/dbraw/zinc/55/28/25/1193552825.db2.gz GFPGOOAFCCSOKI-LJQANCHMSA-N 1 3 339.524 2.069 10 0 EEAEHO COCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001691628933 1188783923 /nfs/dbraw/zinc/78/39/23/1188783923.db2.gz FLYXMQXFUABUBX-QZTJIDSGSA-N 1 3 341.540 2.360 10 0 EEAEHO CCOCC[N@@H+]1CCc2c(CNC(=O)[C@@H](CC)N(C)C)cccc2C1 ZINC001272916507 1193602906 /nfs/dbraw/zinc/60/29/06/1193602906.db2.gz ACVRVYKYYSPNPL-LJQANCHMSA-N 1 3 347.503 2.038 10 0 EEAEHO CCOCC[N@H+]1CCc2c(CNC(=O)[C@@H](CC)N(C)C)cccc2C1 ZINC001272916507 1193602907 /nfs/dbraw/zinc/60/29/07/1193602907.db2.gz ACVRVYKYYSPNPL-LJQANCHMSA-N 1 3 347.503 2.038 10 0 EEAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001409343421 1189549813 /nfs/dbraw/zinc/54/98/13/1189549813.db2.gz BWRTXCYLTPJGAO-GJZGRUSLSA-N 1 3 345.487 2.184 10 0 EEAEHO CN(CCC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)[C@@H]1CCCN1C ZINC001483455933 1190484955 /nfs/dbraw/zinc/48/49/55/1190484955.db2.gz IMRORQHIBCVASW-CABCVRRESA-N 1 3 331.451 2.344 10 0 EEAEHO C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCN(C/C=C\Cl)C1 ZINC001483802855 1191044657 /nfs/dbraw/zinc/04/46/57/1191044657.db2.gz VWOCSOBSVPSKAW-PLHDSQEVSA-N 1 3 327.900 2.394 10 0 EEAEHO CC(C)OCCC[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001484097673 1191209631 /nfs/dbraw/zinc/20/96/31/1191209631.db2.gz DDHDJACVTDHOQY-GOSISDBHSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ncoc1CNC[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001484108293 1191215455 /nfs/dbraw/zinc/21/54/55/1191215455.db2.gz NOVLZSGPVADPSM-URLQWDBASA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1ncoc1CNC[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001484108293 1191215457 /nfs/dbraw/zinc/21/54/57/1191215457.db2.gz NOVLZSGPVADPSM-URLQWDBASA-N 1 3 348.491 2.042 10 0 EEAEHO CC(C)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001484196048 1191267989 /nfs/dbraw/zinc/26/79/89/1191267989.db2.gz PFZRNYQIKZSJDY-CQSZACIVSA-N 1 3 333.467 2.446 10 0 EEAEHO CC(C)[N@H+]1CCC(F)(F)[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001484196048 1191267990 /nfs/dbraw/zinc/26/79/90/1191267990.db2.gz PFZRNYQIKZSJDY-CQSZACIVSA-N 1 3 333.467 2.446 10 0 EEAEHO Cc1ncsc1CN[C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485201992 1191683743 /nfs/dbraw/zinc/68/37/43/1191683743.db2.gz ZHHBTGLERYETMV-QWHCGFSZSA-N 1 3 338.521 2.166 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC001485214567 1191696379 /nfs/dbraw/zinc/69/63/79/1191696379.db2.gz GSYXJMRROPRHDJ-CVEARBPZSA-N 1 3 347.503 2.084 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)C/C=C\c1ccccc1 ZINC001485348857 1191749843 /nfs/dbraw/zinc/74/98/43/1191749843.db2.gz BXXUFEKRYQDXAO-HJPCAMOWSA-N 1 3 329.488 2.478 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)C/C=C\c1ccccc1 ZINC001485348857 1191749845 /nfs/dbraw/zinc/74/98/45/1191749845.db2.gz BXXUFEKRYQDXAO-HJPCAMOWSA-N 1 3 329.488 2.478 10 0 EEAEHO COCCCC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001485501978 1191817291 /nfs/dbraw/zinc/81/72/91/1191817291.db2.gz CRKVDUPTAOHXHK-MRXNPFEDSA-N 1 3 339.524 2.114 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CC(C)C)C1 ZINC001486453212 1193974906 /nfs/dbraw/zinc/97/49/06/1193974906.db2.gz XAAOPDIOMFRXTD-KBPBESRZSA-N 1 3 337.430 2.353 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCOCC(C)C)C1 ZINC001486482983 1193997095 /nfs/dbraw/zinc/99/70/95/1193997095.db2.gz AMVLQXTWIXWQHY-ABHNRTSZSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21)N1CCCCCC1 ZINC001410107773 1197551972 /nfs/dbraw/zinc/55/19/72/1197551972.db2.gz FRLXBAMCOCPTLT-DSLXNQLJSA-N 1 3 333.520 2.345 10 0 EEAEHO C[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21)N1CCCCCC1 ZINC001410107773 1197551974 /nfs/dbraw/zinc/55/19/74/1197551974.db2.gz FRLXBAMCOCPTLT-DSLXNQLJSA-N 1 3 333.520 2.345 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnc(Cl)s2)C1)N(C)C ZINC001410224298 1197615053 /nfs/dbraw/zinc/61/50/53/1197615053.db2.gz NVLCAIYJNMOEIR-GVXVVHGQSA-N 1 3 344.912 2.121 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cccnc1C ZINC001410501909 1198056721 /nfs/dbraw/zinc/05/67/21/1198056721.db2.gz HZTMHRCGWMGXLD-YJBOKZPZSA-N 1 3 332.492 2.201 10 0 EEAEHO C[C@](O)(C[C@H](O)CNC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000872208002 1198087208 /nfs/dbraw/zinc/08/72/08/1198087208.db2.gz MKHNUOVSCDPADN-HBMCJLEFSA-N 1 3 346.515 2.400 10 0 EEAEHO C[C@](O)(C[C@H](O)CNC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000872208002 1198087220 /nfs/dbraw/zinc/08/72/20/1198087220.db2.gz MKHNUOVSCDPADN-HBMCJLEFSA-N 1 3 346.515 2.400 10 0 EEAEHO CC(C)CN(CC1CC[NH+](C)CC1)C(=S)NC1CCN(C)CC1 ZINC000865272072 1198150512 /nfs/dbraw/zinc/15/05/12/1198150512.db2.gz LLJIESXMYJQPSC-UHFFFAOYSA-N 1 3 340.581 2.255 10 0 EEAEHO COC(C)(C)c1nsc(N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000865933233 1198428552 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EEAEHO Cc1ccc(CNC/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C)c(C)n1 ZINC001274105856 1204373271 /nfs/dbraw/zinc/37/32/71/1204373271.db2.gz PZMJEEBZPIPELJ-DVBCCOPCSA-N 1 3 332.492 2.047 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC/C=C/C[NH2+]CCc2ccccc2Cl)C1 ZINC001274367998 1205011447 /nfs/dbraw/zinc/01/14/47/1205011447.db2.gz ILHJOTCAVZUACE-APHBUQMISA-N 1 3 349.906 2.486 10 0 EEAEHO O=C(NC/C=C\CNCCC(F)(F)F)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001274431383 1205034414 /nfs/dbraw/zinc/03/44/14/1205034414.db2.gz ZBFSBSWQSYGTIC-BXHLDNEWSA-N 1 3 333.398 2.218 10 0 EEAEHO O=C(NC/C=C\CNCCC(F)(F)F)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001274431383 1205034417 /nfs/dbraw/zinc/03/44/17/1205034417.db2.gz ZBFSBSWQSYGTIC-BXHLDNEWSA-N 1 3 333.398 2.218 10 0 EEAEHO C[C@H](CNCc1ccc(Cl)nc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001274893764 1205202992 /nfs/dbraw/zinc/20/29/92/1205202992.db2.gz BDFDHESDXPYMRO-IPYPFGDCSA-N 1 3 338.883 2.060 10 0 EEAEHO C[C@H](CNCc1ccc(Cl)nc1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001274893764 1205202994 /nfs/dbraw/zinc/20/29/94/1205202994.db2.gz BDFDHESDXPYMRO-IPYPFGDCSA-N 1 3 338.883 2.060 10 0 EEAEHO CC1(C)[C@@H](NCC2(N3CCOCC3)CCCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925504864 1206120851 /nfs/dbraw/zinc/12/08/51/1206120851.db2.gz MBSOODBTRAIYDK-SQNIBIBYSA-N 1 3 335.536 2.388 10 0 EEAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000925504864 1206120853 /nfs/dbraw/zinc/12/08/53/1206120853.db2.gz MBSOODBTRAIYDK-SQNIBIBYSA-N 1 3 335.536 2.388 10 0 EEAEHO c1cc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)n(-c2ccccc2)n1 ZINC000925806165 1206155794 /nfs/dbraw/zinc/15/57/94/1206155794.db2.gz YBJSEQCCCPCNGB-XUVXKRRUSA-N 1 3 340.471 2.162 10 0 EEAEHO O=C1O[C@H](CN[C@@H]2CCCc3c(O)cccc32)CC12CC[NH2+]CC2 ZINC000925849366 1206160486 /nfs/dbraw/zinc/16/04/86/1206160486.db2.gz IQMGMFCLIYADOQ-XJKSGUPXSA-N 1 3 330.428 2.045 10 0 EEAEHO O=C1O[C@@H](CN[C@@H]2CCc3c2cc(F)cc3F)CC12CC[NH2+]CC2 ZINC000925853648 1206161220 /nfs/dbraw/zinc/16/12/20/1206161220.db2.gz QDMAUMJASFFZOP-MLGOLLRUSA-N 1 3 336.382 2.227 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)COC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000929471710 1206478540 /nfs/dbraw/zinc/47/85/40/1206478540.db2.gz YETIVCYGHTXTBC-LJQANCHMSA-N 1 3 347.503 2.079 10 0 EEAEHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000903442620 1240486796 /nfs/dbraw/zinc/48/67/96/1240486796.db2.gz UTKKSZZCPOGXLK-OCCSQVGLSA-N 1 3 336.867 2.241 10 0 EEAEHO FC(F)(F)CCN1CCC([NH2+]C[C@H]2CNCCC2(F)F)CC1 ZINC000903957689 1242720102 /nfs/dbraw/zinc/72/01/02/1242720102.db2.gz SNCUZWSRTJJTAW-LLVKDONJSA-N 1 3 329.357 2.238 10 0 EEAEHO CC[NH+]1CCC(CNC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000827631777 1248514991 /nfs/dbraw/zinc/51/49/91/1248514991.db2.gz QKIMQAUIUNLEOU-HNNXBMFYSA-N 1 3 338.883 2.281 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCNCc1cc(C2CC2)no1 ZINC001272774375 1277942055 /nfs/dbraw/zinc/94/20/55/1277942055.db2.gz USHBTBUVBGZLRW-RDTXWAMCSA-N 1 3 348.491 2.409 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCNCc1cc(C2CC2)no1 ZINC001272774375 1277942060 /nfs/dbraw/zinc/94/20/60/1277942060.db2.gz USHBTBUVBGZLRW-RDTXWAMCSA-N 1 3 348.491 2.409 10 0 EEAEHO CC[C@@H]1CN(C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)C[C@H](C)N1 ZINC000856408192 1293516509 /nfs/dbraw/zinc/51/65/09/1293516509.db2.gz IEQWCKJXVKSTPS-FHFUJXRGSA-N 1 3 345.487 2.239 10 0 EEAEHO Cn1nccc1[C@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000927137825 1297033151 /nfs/dbraw/zinc/03/31/51/1297033151.db2.gz YBFJDAMFXYTQGQ-FTEYMNFISA-N 1 3 340.471 2.239 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cncn1C ZINC001277314248 1302342384 /nfs/dbraw/zinc/34/23/84/1302342384.db2.gz OWFVVGIUHJDCNV-FUHWJXTLSA-N 1 3 349.523 2.058 10 0 EEAEHO C[C@H](CCCNCc1cnc(Cl)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001277355846 1302613931 /nfs/dbraw/zinc/61/39/31/1302613931.db2.gz NFWAJHCMVLDCAY-NEPJUHHUSA-N 1 3 344.912 2.123 10 0 EEAEHO C[C@H](CCCNCc1cnc(Cl)s1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001277355846 1302613937 /nfs/dbraw/zinc/61/39/37/1302613937.db2.gz NFWAJHCMVLDCAY-NEPJUHHUSA-N 1 3 344.912 2.123 10 0 EEAEHO CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@@H](C[NH2+]CCCF)C1CC1 ZINC001277696387 1304206546 /nfs/dbraw/zinc/20/65/46/1304206546.db2.gz WVHBCBKGFWSTNH-YJBOKZPZSA-N 1 3 345.478 2.385 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NC[C@H]([NH3+])c2ccccc2)cc(Cl)n1 ZINC000841847936 1315622627 /nfs/dbraw/zinc/62/26/27/1315622627.db2.gz NJGDVHHPVIYANF-CABCVRRESA-N 1 3 332.835 2.250 10 0 EEAEHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cncc2ccccc21 ZINC000843121299 1315847833 /nfs/dbraw/zinc/84/78/33/1315847833.db2.gz CMDJPWOGBBAOED-KRWDZBQOSA-N 1 3 326.444 2.054 10 0 EEAEHO C[NH+](C)CCCCC(=O)N1C[C@H](NCc2ccccn2)C(C)(C)C1 ZINC001278684721 1317706451 /nfs/dbraw/zinc/70/64/51/1317706451.db2.gz JUSZGGMXHSBGDN-KRWDZBQOSA-N 1 3 332.492 2.140 10 0 EEAEHO CCOCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001264495369 1322710097 /nfs/dbraw/zinc/71/00/97/1322710097.db2.gz HEOFMMZJSSHCBA-IAGOWNOFSA-N 1 3 339.524 2.066 10 0 EEAEHO CCO[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001264536184 1322727090 /nfs/dbraw/zinc/72/70/90/1322727090.db2.gz NIUDJQUOLWJAAZ-BRWVUGGUSA-N 1 3 341.540 2.216 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001265989094 1323547580 /nfs/dbraw/zinc/54/75/80/1323547580.db2.gz BHKKPMKXWQYDSK-LJJZPKPQSA-N 1 3 329.488 2.478 10 0 EEAEHO CCN(CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@@H](C)c1cnccn1 ZINC001266042690 1323592710 /nfs/dbraw/zinc/59/27/10/1323592710.db2.gz LPRQRWSHVXMWAN-WMZOPIPTSA-N 1 3 347.507 2.239 10 0 EEAEHO CCN(CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@@H](C)c1cnccn1 ZINC001266042690 1323592714 /nfs/dbraw/zinc/59/27/14/1323592714.db2.gz LPRQRWSHVXMWAN-WMZOPIPTSA-N 1 3 347.507 2.239 10 0 EEAEHO CC[C@@H](C(=O)NC1(C[NH2+]CC2=CCCCC2)CCOCC1)N(C)C ZINC001281266893 1324924576 /nfs/dbraw/zinc/92/45/76/1324924576.db2.gz UKHNVSXPXFSUTG-KRWDZBQOSA-N 1 3 337.508 2.082 10 0 EEAEHO CCc1nc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCCN2C)o1 ZINC001283147760 1325934907 /nfs/dbraw/zinc/93/49/07/1325934907.db2.gz XLRKDLQFBGUYMS-UKRRQHHQSA-N 1 3 336.480 2.014 10 0 EEAEHO CC[N@H+](C)[C@@H](C(=O)NC[C@@H](C)NCc1cc(C)no1)c1ccccc1 ZINC001491636037 1330192278 /nfs/dbraw/zinc/19/22/78/1330192278.db2.gz ARYFNDICFHUYKS-CRAIPNDOSA-N 1 3 344.459 2.270 10 0 EEAEHO CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](C)NCc1cc(C)no1)c1ccccc1 ZINC001491636037 1330192279 /nfs/dbraw/zinc/19/22/79/1330192279.db2.gz ARYFNDICFHUYKS-CRAIPNDOSA-N 1 3 344.459 2.270 10 0 EEAEHO C[N@H+](CCCF)[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001491951542 1330343452 /nfs/dbraw/zinc/34/34/52/1330343452.db2.gz IXOIDXASPQIVPQ-QAPCUYQASA-N 1 3 345.478 2.481 10 0 EEAEHO C[N@@H+](CCCF)[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001491951542 1330343457 /nfs/dbraw/zinc/34/34/57/1330343457.db2.gz IXOIDXASPQIVPQ-QAPCUYQASA-N 1 3 345.478 2.481 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CCCCC(F)(F)F)C2)C1 ZINC001317530461 1332286493 /nfs/dbraw/zinc/28/64/93/1332286493.db2.gz XKYDSHYMRRAYSQ-CABCVRRESA-N 1 3 349.441 2.499 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CCCCC(F)(F)F)C2)C1 ZINC001317530461 1332286494 /nfs/dbraw/zinc/28/64/94/1332286494.db2.gz XKYDSHYMRRAYSQ-CABCVRRESA-N 1 3 349.441 2.499 10 0 EEAEHO Cc1ncoc1CN(CCCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001317693093 1332376096 /nfs/dbraw/zinc/37/60/96/1332376096.db2.gz FCXRVCBSBJSDRE-UHFFFAOYSA-N 1 3 348.491 2.328 10 0 EEAEHO C[C@@H](C[NH2+]CC[C@@H]1CCCCO1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001319533962 1332717167 /nfs/dbraw/zinc/71/71/67/1332717167.db2.gz MDUUPYMOEMKJQI-IRXDYDNUSA-N 1 3 341.540 2.360 10 0 EEAEHO CCc1nocc1CNCC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001319789693 1332768481 /nfs/dbraw/zinc/76/84/81/1332768481.db2.gz AGPUTEBHRKKVJF-RDJZCZTQSA-N 1 3 348.491 2.050 10 0 EEAEHO CCc1nocc1CNCC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001319789693 1332768484 /nfs/dbraw/zinc/76/84/84/1332768484.db2.gz AGPUTEBHRKKVJF-RDJZCZTQSA-N 1 3 348.491 2.050 10 0 EEAEHO CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1cccc2cccnc21)N(C)C ZINC001321113391 1333022682 /nfs/dbraw/zinc/02/26/82/1333022682.db2.gz XWLNYOAWNSWHRB-DUMMIQTOSA-N 1 3 340.471 2.337 10 0 EEAEHO CN(CCCNCc1ccc(F)cn1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001322549998 1333281307 /nfs/dbraw/zinc/28/13/07/1333281307.db2.gz UZDHKYPIVOFOBQ-QGZVFWFLSA-N 1 3 336.455 2.033 10 0 EEAEHO CN(CCCNCc1ccc(F)cn1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001322549998 1333281310 /nfs/dbraw/zinc/28/13/10/1333281310.db2.gz UZDHKYPIVOFOBQ-QGZVFWFLSA-N 1 3 336.455 2.033 10 0 EEAEHO Cc1nn(C(C)C)cc1C[NH2+]CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001322693325 1333308547 /nfs/dbraw/zinc/30/85/47/1333308547.db2.gz FPNZMSDZUWDZSL-MRXNPFEDSA-N 1 3 349.523 2.052 10 0 EEAEHO CN(CCC[NH2+]CCc1c(F)cccc1F)C(=O)CN1CCCC1 ZINC001322834504 1333336711 /nfs/dbraw/zinc/33/67/11/1333336711.db2.gz DWSABFIRLYZONM-UHFFFAOYSA-N 1 3 339.430 2.041 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)cc2)CC1 ZINC001326748487 1334153919 /nfs/dbraw/zinc/15/39/19/1334153919.db2.gz BVVYSMJKVVYIFF-HOTGVXAUSA-N 1 3 330.476 2.155 10 0 EEAEHO CC(C)OCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001329240693 1334613277 /nfs/dbraw/zinc/61/32/77/1334613277.db2.gz LPQGKHNQVUHIPC-DAWZGUTISA-N 1 3 339.524 2.255 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCC(CC[NH2+]Cc2ccccc2)CC1 ZINC001666195750 1355482105 /nfs/dbraw/zinc/48/21/05/1355482105.db2.gz ZBOXLIZOKOJGSN-IBGZPJMESA-N 1 3 329.488 2.499 10 0 EEAEHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2F)C1)N(C)C ZINC001436354803 1342047756 /nfs/dbraw/zinc/04/77/56/1342047756.db2.gz CEMSIGBUKGMKFU-LESCRADOSA-N 1 3 335.467 2.459 10 0 EEAEHO CC(C)COCCN1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001500291849 1342139565 /nfs/dbraw/zinc/13/95/65/1342139565.db2.gz DIRHYYZGMYYWOC-IBGZPJMESA-N 1 3 339.524 2.116 10 0 EEAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1ccnc(Cl)c1 ZINC001567017190 1342679578 /nfs/dbraw/zinc/67/95/78/1342679578.db2.gz VOYQJOFGQREYQM-ZFWWWQNUSA-N 1 3 338.883 2.202 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1ccnc(Cl)c1 ZINC001567017190 1342679581 /nfs/dbraw/zinc/67/95/81/1342679581.db2.gz VOYQJOFGQREYQM-ZFWWWQNUSA-N 1 3 338.883 2.202 10 0 EEAEHO CN(C)C1(C(=O)N[C@H](C[NH2+]CCOC2CCC2)C(C)(C)C)CCC1 ZINC001677258115 1357303142 /nfs/dbraw/zinc/30/31/42/1357303142.db2.gz RPWKEKTWPUMQMN-MRXNPFEDSA-N 1 3 339.524 2.160 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCCC[N@H+](C)Cc2cccc(N(C)C)c2)C1 ZINC001660303747 1354435025 /nfs/dbraw/zinc/43/50/25/1354435025.db2.gz DEIXSRXEOJHZTM-QGZVFWFLSA-N 1 3 346.519 2.033 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCCC[N@@H+](C)Cc2cccc(N(C)C)c2)C1 ZINC001660303747 1354435029 /nfs/dbraw/zinc/43/50/29/1354435029.db2.gz DEIXSRXEOJHZTM-QGZVFWFLSA-N 1 3 346.519 2.033 10 0 EEAEHO COCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001662778112 1354844549 /nfs/dbraw/zinc/84/45/49/1354844549.db2.gz CJJCQIJYIFXQRA-HZPDHXFCSA-N 1 3 327.513 2.018 10 0 EEAEHO CC(C)[N@H+](CCCNC(=O)C1(N(C)C)CCC1)C[C@H]1CCCOC1 ZINC001664514092 1355182840 /nfs/dbraw/zinc/18/28/40/1355182840.db2.gz XZXBVSFXDIVBEI-QGZVFWFLSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)C[C@H]1CCCOC1 ZINC001664514092 1355182843 /nfs/dbraw/zinc/18/28/43/1355182843.db2.gz XZXBVSFXDIVBEI-QGZVFWFLSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)OCC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCCC1 ZINC001666779146 1355589936 /nfs/dbraw/zinc/58/99/36/1355589936.db2.gz YTFMRBMMQIZYKI-UHFFFAOYSA-N 1 3 339.524 2.304 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001668086878 1355865877 /nfs/dbraw/zinc/86/58/77/1355865877.db2.gz KZJKVUCMMUCVGZ-ZDUSSCGKSA-N 1 3 339.430 2.434 10 0 EEAEHO CCN(CCNCc1ccccc1N(C)C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668435441 1355939965 /nfs/dbraw/zinc/93/99/65/1355939965.db2.gz FZFGMUBTMONINV-SJLPKXTDSA-N 1 3 346.519 2.031 10 0 EEAEHO CCN(CCNCc1ccccc1N(C)C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001668435441 1355939967 /nfs/dbraw/zinc/93/99/67/1355939967.db2.gz FZFGMUBTMONINV-SJLPKXTDSA-N 1 3 346.519 2.031 10 0 EEAEHO CCN(CCNCc1cncc(F)c1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001668516956 1355955957 /nfs/dbraw/zinc/95/59/57/1355955957.db2.gz INUOTYCKOSXVBL-UHFFFAOYSA-N 1 3 336.455 2.033 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1ccc(F)cc1 ZINC001668854673 1356024247 /nfs/dbraw/zinc/02/42/47/1356024247.db2.gz UYSUVNHHVBCKFD-OAJJDEHYSA-N 1 3 333.451 2.462 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1ccc(F)cc1 ZINC001668854673 1356024252 /nfs/dbraw/zinc/02/42/52/1356024252.db2.gz UYSUVNHHVBCKFD-OAJJDEHYSA-N 1 3 333.451 2.462 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001669139334 1356104343 /nfs/dbraw/zinc/10/43/43/1356104343.db2.gz NFNPBGHWUWSRCA-PKVWGGKHSA-N 1 3 344.503 2.272 10 0 EEAEHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@H]2CNCCF)CC1 ZINC001698948899 1405178874 /nfs/dbraw/zinc/17/88/74/1405178874.db2.gz XEUPKZPRSBTXSP-NVXWUHKLSA-N 1 3 327.488 2.293 10 0 EEAEHO C[C@@H](NC(=O)[C@H](C)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000923447972 789561051 /nfs/dbraw/zinc/56/10/51/789561051.db2.gz YVBIIKYDDXEFOW-SOLBZPMBSA-N 1 3 345.487 2.082 10 0 EEAEHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1 ZINC000913946044 794625671 /nfs/dbraw/zinc/62/56/71/794625671.db2.gz GADWXBOPXXGVGT-CRAIPNDOSA-N 1 3 332.492 2.420 10 0 EEAEHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cn(C)nc2C2CCCC2)CC1 ZINC000921686237 794834461 /nfs/dbraw/zinc/83/44/61/794834461.db2.gz PRRLEJRHLKJCRO-KRWDZBQOSA-N 1 3 347.551 2.441 10 0 EEAEHO CO[C@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001436418137 1087776183 /nfs/dbraw/zinc/77/61/83/1087776183.db2.gz WLFDVHQGIURXAY-IXDOHACOSA-N 1 3 339.524 2.160 10 0 EEAEHO C[C@@H](c1ccc2c(c1)CCC2)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001438134502 1090658277 /nfs/dbraw/zinc/65/82/77/1090658277.db2.gz ONHFZEBDUFUNHI-HNNXBMFYSA-N 1 3 329.488 2.236 10 0 EEAEHO Cc1oncc1CNC[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001438430520 1090929580 /nfs/dbraw/zinc/92/95/80/1090929580.db2.gz AWKNURIDKOEPLJ-KBXCAEBGSA-N 1 3 336.480 2.089 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CNCc2cccnc2C)C1 ZINC001445431892 1091189133 /nfs/dbraw/zinc/18/91/33/1091189133.db2.gz YHEWFKHFTWYRQT-QAPCUYQASA-N 1 3 332.492 2.106 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CNCc2cccnc2C)C1 ZINC001445431892 1091189136 /nfs/dbraw/zinc/18/91/36/1091189136.db2.gz YHEWFKHFTWYRQT-QAPCUYQASA-N 1 3 332.492 2.106 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC=C(Cl)Cl)[C@@H](C)C1 ZINC001438771276 1091356286 /nfs/dbraw/zinc/35/62/86/1091356286.db2.gz OONJWYVATDEQKY-STQMWFEESA-N 1 3 336.307 2.472 10 0 EEAEHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]Cc1ccccn1 ZINC001439515890 1092361842 /nfs/dbraw/zinc/36/18/42/1092361842.db2.gz PMGULHKVWGJGLS-SJLPKXTDSA-N 1 3 332.492 2.139 10 0 EEAEHO CO[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C(C)C)c1ccccc1 ZINC001439782607 1092738840 /nfs/dbraw/zinc/73/88/40/1092738840.db2.gz NDNOUKCSXHPKML-RBUKOAKNSA-N 1 3 347.503 2.295 10 0 EEAEHO CC[C@@H](F)C[NH2+]C[C@]1(C)CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001439904329 1092968055 /nfs/dbraw/zinc/96/80/55/1092968055.db2.gz YMPVYIOFWTUIKG-AEFFLSMTSA-N 1 3 327.488 2.295 10 0 EEAEHO CC[C@@H](F)CN1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001440152895 1093213317 /nfs/dbraw/zinc/21/33/17/1093213317.db2.gz UTWRRGGRJJVCSU-IXDOHACOSA-N 1 3 325.472 2.001 10 0 EEAEHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cn(C(C)C)nc2C)C1)N(C)C ZINC001440312674 1093443964 /nfs/dbraw/zinc/44/39/64/1093443964.db2.gz LUDDVWGHRJJMCQ-BPQIPLTHSA-N 1 3 349.523 2.097 10 0 EEAEHO Cc1cncc(C[NH2+][C@H]2C[C@H](CNC(=O)CN3[C@H](C)CC[C@H]3C)C2)c1 ZINC001440362898 1093527373 /nfs/dbraw/zinc/52/73/73/1093527373.db2.gz PGVBLSNPTKNBNS-YWTNHNAXSA-N 1 3 344.503 2.247 10 0 EEAEHO C[C@H](NC[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)c1c(F)cccc1F ZINC001448510068 1093535919 /nfs/dbraw/zinc/53/59/19/1093535919.db2.gz LRAWKLNWDWEJDO-IHRRRGAJSA-N 1 3 339.430 2.462 10 0 EEAEHO CN(CCCN(C)C(=O)C12CCC[NH+](CCC1)C2)Cc1cccnc1 ZINC001440433024 1093636925 /nfs/dbraw/zinc/63/69/25/1093636925.db2.gz WOIWESGSWRINGA-UHFFFAOYSA-N 1 3 344.503 2.238 10 0 EEAEHO Cc1ncc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)CN(C)C(C)C)s1 ZINC001448601011 1093664185 /nfs/dbraw/zinc/66/41/85/1093664185.db2.gz HNCKTYPDRLAOIN-INIZCTEOSA-N 1 3 338.521 2.118 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC001440595382 1093860621 /nfs/dbraw/zinc/86/06/21/1093860621.db2.gz FYLGQBOCYFPIDH-QAPCUYQASA-N 1 3 335.467 2.412 10 0 EEAEHO COc1cc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)ccc1C ZINC001448966733 1093972467 /nfs/dbraw/zinc/97/24/67/1093972467.db2.gz BJXNNRNNSIKJON-AEFFLSMTSA-N 1 3 347.503 2.423 10 0 EEAEHO COCc1ccc(CN(C)C[C@H]2CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001440740482 1093989446 /nfs/dbraw/zinc/98/94/46/1093989446.db2.gz SHOWVALSKJBSLE-LJQANCHMSA-N 1 3 347.503 2.208 10 0 EEAEHO C[C@H]1CC[N@H+](CC(=O)N2C[C@H](NCC=C(Cl)Cl)C(C)(C)C2)C1 ZINC001449086217 1094098884 /nfs/dbraw/zinc/09/88/84/1094098884.db2.gz OAPYIIICZLPVQR-STQMWFEESA-N 1 3 348.318 2.474 10 0 EEAEHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@H](NCC=C(Cl)Cl)C(C)(C)C2)C1 ZINC001449086217 1094098889 /nfs/dbraw/zinc/09/88/89/1094098889.db2.gz OAPYIIICZLPVQR-STQMWFEESA-N 1 3 348.318 2.474 10 0 EEAEHO Cc1ccc(C)c(OCCN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001441011267 1094287978 /nfs/dbraw/zinc/28/79/78/1094287978.db2.gz LOJSBXUTHKFTIL-ZWKOTPCHSA-N 1 3 347.503 2.070 10 0 EEAEHO Cc1ccc(C)c(OCCN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001441011267 1094287988 /nfs/dbraw/zinc/28/79/88/1094287988.db2.gz LOJSBXUTHKFTIL-ZWKOTPCHSA-N 1 3 347.503 2.070 10 0 EEAEHO CC[C@@H](F)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001441285433 1094710604 /nfs/dbraw/zinc/71/06/04/1094710604.db2.gz QIMWBRWJTRPGKC-FPCVCCKLSA-N 1 3 327.488 2.006 10 0 EEAEHO CC[C@@H](F)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001441285433 1094710613 /nfs/dbraw/zinc/71/06/13/1094710613.db2.gz QIMWBRWJTRPGKC-FPCVCCKLSA-N 1 3 327.488 2.006 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](Cc3cccnc3)CC[C@H]21 ZINC001441482619 1095155724 /nfs/dbraw/zinc/15/57/24/1095155724.db2.gz TXFOMNSFXUEUSA-RBUKOAKNSA-N 1 3 344.503 2.236 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](Cc3cccnc3)CC[C@H]21 ZINC001441482619 1095155727 /nfs/dbraw/zinc/15/57/27/1095155727.db2.gz TXFOMNSFXUEUSA-RBUKOAKNSA-N 1 3 344.503 2.236 10 0 EEAEHO Cc1nsc(C)c1CN[C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001441837301 1095905560 /nfs/dbraw/zinc/90/55/60/1095905560.db2.gz NDNHOELBVPVKET-SWLSCSKDSA-N 1 3 338.521 2.181 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001441854198 1095946703 /nfs/dbraw/zinc/94/67/03/1095946703.db2.gz FBBVOWOOITXFBP-WMZOPIPTSA-N 1 3 347.503 2.472 10 0 EEAEHO COc1ccc(CN2CCC[C@H]2CNC(=O)CC[NH+](C)C)cc1C ZINC001442803365 1097185388 /nfs/dbraw/zinc/18/53/88/1097185388.db2.gz VJFHBXHGZUCXTN-KRWDZBQOSA-N 1 3 333.476 2.036 10 0 EEAEHO CC(C)OCCN1CCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001442826596 1097217231 /nfs/dbraw/zinc/21/72/31/1097217231.db2.gz NLYSNBTZQQEFDZ-MSOLQXFVSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)OCCN1CCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001442826601 1097217267 /nfs/dbraw/zinc/21/72/67/1097217267.db2.gz NLYSNBTZQQEFDZ-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1C[NH+](CC2CCC(F)(F)CC2)C1 ZINC001443653268 1098151148 /nfs/dbraw/zinc/15/11/48/1098151148.db2.gz NXWNLQURJAOCMZ-UHFFFAOYSA-N 1 3 331.451 2.200 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CC=C(C)C ZINC001479616309 1098641253 /nfs/dbraw/zinc/64/12/53/1098641253.db2.gz CLSYGFGRPZIGAH-OKYOBFRVSA-N 1 3 333.520 2.463 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC=C(C)C ZINC001479616309 1098641256 /nfs/dbraw/zinc/64/12/56/1098641256.db2.gz CLSYGFGRPZIGAH-OKYOBFRVSA-N 1 3 333.520 2.463 10 0 EEAEHO C[C@H](NCc1cncc(F)c1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479828521 1099108471 /nfs/dbraw/zinc/10/84/71/1099108471.db2.gz BEHRBYGEYLZDKY-YOEHRIQHSA-N 1 3 336.455 2.032 10 0 EEAEHO CC[C@@H](C(=O)N(C)C1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1)N(C)C ZINC001479895552 1099274851 /nfs/dbraw/zinc/27/48/51/1099274851.db2.gz LWPNGLUOXHBKDZ-SJORKVTESA-N 1 3 339.524 2.065 10 0 EEAEHO C[C@H](CNCc1cc(F)cc(F)c1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001444721067 1099591756 /nfs/dbraw/zinc/59/17/56/1099591756.db2.gz ZBEAILPSBRKVRC-KGLIPLIRSA-N 1 3 339.430 2.243 10 0 EEAEHO C[C@H](CNCc1cc(F)cc(F)c1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001444721067 1099591765 /nfs/dbraw/zinc/59/17/65/1099591765.db2.gz ZBEAILPSBRKVRC-KGLIPLIRSA-N 1 3 339.430 2.243 10 0 EEAEHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2OC2CC2)C1)N(C)C ZINC001480211057 1099822058 /nfs/dbraw/zinc/82/20/58/1099822058.db2.gz NBXUZDYBMBTKMS-SOLBZPMBSA-N 1 3 345.487 2.305 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCN(Cc3ccsc3)C2)C1 ZINC001480267578 1099963050 /nfs/dbraw/zinc/96/30/50/1099963050.db2.gz NWRPODJTZFNCOP-HZPDHXFCSA-N 1 3 335.517 2.418 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCCN(Cc3ccsc3)C2)C1 ZINC001480267578 1099963068 /nfs/dbraw/zinc/96/30/68/1099963068.db2.gz NWRPODJTZFNCOP-HZPDHXFCSA-N 1 3 335.517 2.418 10 0 EEAEHO CC(C)[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccccc1F ZINC001444904067 1099966473 /nfs/dbraw/zinc/96/64/73/1099966473.db2.gz BFJHJGHLLSHJIU-QAPCUYQASA-N 1 3 335.467 2.398 10 0 EEAEHO C[C@@H](O)CCC[NH2+]C[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001480361073 1100133311 /nfs/dbraw/zinc/13/33/11/1100133311.db2.gz HTRVMRSMWWWWTP-IAGOWNOFSA-N 1 3 341.540 2.096 10 0 EEAEHO CN(CC[N@H+](C)C[C@H]1CCCC(F)(F)C1)C(=O)[C@H]1CCCN1C ZINC001445024868 1100185978 /nfs/dbraw/zinc/18/59/78/1100185978.db2.gz DKZAZXPVYMXWSA-LSDHHAIUSA-N 1 3 331.451 2.296 10 0 EEAEHO CN(CC[N@@H+](C)C[C@H]1CCCC(F)(F)C1)C(=O)[C@H]1CCCN1C ZINC001445024868 1100185979 /nfs/dbraw/zinc/18/59/79/1100185979.db2.gz DKZAZXPVYMXWSA-LSDHHAIUSA-N 1 3 331.451 2.296 10 0 EEAEHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2cncs2)CCC1 ZINC001496890862 1101675566 /nfs/dbraw/zinc/67/55/66/1101675566.db2.gz XGJLPZPFIPUMHH-DZGCQCFKSA-N 1 3 336.505 2.002 10 0 EEAEHO CCc1nc(CNC[C@H]2CCC[C@@H]2NC(=O)CC[NH+](C)C)cs1 ZINC001496904806 1101696722 /nfs/dbraw/zinc/69/67/22/1101696722.db2.gz UYDWHGHQZOEIQC-HIFRSBDPSA-N 1 3 338.521 2.032 10 0 EEAEHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCC(C)CC2)c(C)n1 ZINC001496198711 1102206594 /nfs/dbraw/zinc/20/65/94/1102206594.db2.gz ZGNFBGNIUXYAEX-KRWDZBQOSA-N 1 3 346.519 2.367 10 0 EEAEHO CC[C@@H](F)CN1CC[C@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001447440205 1102659636 /nfs/dbraw/zinc/65/96/36/1102659636.db2.gz PCVNLZSHHYNVPO-AEFFLSMTSA-N 1 3 339.499 2.391 10 0 EEAEHO CC[C@@H](C(=O)NC/C=C\C[NH2+]C[C@H]1CCc2ccccc2C1)N(C)C ZINC001497678325 1102888765 /nfs/dbraw/zinc/88/87/65/1102888765.db2.gz DWUCMRYUABSIQY-KQCIVJTHSA-N 1 3 343.515 2.394 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)CC[C@H]2CCCCO2)C1 ZINC001494178049 1103650460 /nfs/dbraw/zinc/65/04/60/1103650460.db2.gz FPORBHWUVQAEPQ-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)CC[C@H]2CCCCO2)C1 ZINC001494178049 1103650464 /nfs/dbraw/zinc/65/04/64/1103650464.db2.gz FPORBHWUVQAEPQ-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)NCc1ccns1 ZINC001495069250 1104709751 /nfs/dbraw/zinc/70/97/51/1104709751.db2.gz SVNPRVXQCZJDFJ-HOCLYGCPSA-N 1 3 338.521 2.390 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)NCc1ccns1 ZINC001495069250 1104709759 /nfs/dbraw/zinc/70/97/59/1104709759.db2.gz SVNPRVXQCZJDFJ-HOCLYGCPSA-N 1 3 338.521 2.390 10 0 EEAEHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001480789012 1107120884 /nfs/dbraw/zinc/12/08/84/1107120884.db2.gz AAXFGBXYVVEWTJ-UONOGXRCSA-N 1 3 338.883 2.061 10 0 EEAEHO C[C@H](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCC1CC1 ZINC001480793100 1107126388 /nfs/dbraw/zinc/12/63/88/1107126388.db2.gz YRQQSVLAMSMTQM-RDTXWAMCSA-N 1 3 327.488 2.483 10 0 EEAEHO Cc1nc(C(C)C)oc1C[NH2+][C@H](C)CCNC(=O)CN1CCCC1 ZINC001480808541 1107155514 /nfs/dbraw/zinc/15/55/14/1107155514.db2.gz MASHUDZJNJPTGO-CQSZACIVSA-N 1 3 336.480 2.187 10 0 EEAEHO C[C@H](C[N@H+](C)C[C@@H]1CCC(F)(F)C1)NC(=O)C1(N(C)C)CCC1 ZINC001498314398 1107273447 /nfs/dbraw/zinc/27/34/47/1107273447.db2.gz RXXNFPSXBBHUIO-ZIAGYGMSSA-N 1 3 331.451 2.343 10 0 EEAEHO C[C@H](C[N@@H+](C)C[C@@H]1CCC(F)(F)C1)NC(=O)C1(N(C)C)CCC1 ZINC001498314398 1107273452 /nfs/dbraw/zinc/27/34/52/1107273452.db2.gz RXXNFPSXBBHUIO-ZIAGYGMSSA-N 1 3 331.451 2.343 10 0 EEAEHO CN1C[C@]23C[N@@H+](C4CN(C(=O)OC(C)(C)C)C4)C[C@@]2(C1)CCCC3 ZINC001460971048 1110330537 /nfs/dbraw/zinc/33/05/37/1110330537.db2.gz IOMDUIINCMUWHA-KDURUIRLSA-N 1 3 335.492 2.414 10 0 EEAEHO CN1C[C@]23C[N@H+](C4CN(C(=O)OC(C)(C)C)C4)C[C@@]2(C1)CCCC3 ZINC001460971048 1110330539 /nfs/dbraw/zinc/33/05/39/1110330539.db2.gz IOMDUIINCMUWHA-KDURUIRLSA-N 1 3 335.492 2.414 10 0 EEAEHO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC001473380358 1110574788 /nfs/dbraw/zinc/57/47/88/1110574788.db2.gz QQFREVNQIFRRJG-JENIJYKNSA-N 1 3 340.508 2.277 10 0 EEAEHO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC001473380358 1110574789 /nfs/dbraw/zinc/57/47/89/1110574789.db2.gz QQFREVNQIFRRJG-JENIJYKNSA-N 1 3 340.508 2.277 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H]2C[C@@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001479322277 1110681378 /nfs/dbraw/zinc/68/13/78/1110681378.db2.gz RHMRGISKBNMCQL-SGFMAGIBSA-N 1 3 345.890 2.436 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(F)c1 ZINC001499955304 1112554652 /nfs/dbraw/zinc/55/46/52/1112554652.db2.gz PNNYOUYOSXUQNF-HNNXBMFYSA-N 1 3 339.430 2.386 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@@H](C[NH2+]Cc2cccnc2)C2CCCC2)C1 ZINC001500112358 1112623210 /nfs/dbraw/zinc/62/32/10/1112623210.db2.gz VGGGPIQEGOBGHK-APWZRJJASA-N 1 3 344.503 2.188 10 0 EEAEHO Cc1ncsc1C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001501091744 1113196181 /nfs/dbraw/zinc/19/61/81/1113196181.db2.gz QAYLVPNVWZSSJN-HIFRSBDPSA-N 1 3 338.521 2.118 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1CCC[C@H]2CN(C[C@H](F)CC)C[C@H]21 ZINC001501427566 1113355261 /nfs/dbraw/zinc/35/52/61/1113355261.db2.gz SIXOUTHUHHZPTF-GVDBMIGSSA-N 1 3 327.488 2.389 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H]2CN(C[C@H](F)CC)C[C@H]21 ZINC001501427566 1113355265 /nfs/dbraw/zinc/35/52/65/1113355265.db2.gz SIXOUTHUHHZPTF-GVDBMIGSSA-N 1 3 327.488 2.389 10 0 EEAEHO CC(C)OCCN(C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001505434167 1113967581 /nfs/dbraw/zinc/96/75/81/1113967581.db2.gz MAKSYLYFULCXSE-ROUUACIJSA-N 1 3 339.524 2.209 10 0 EEAEHO CC(C)OCCN(C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001505434167 1113967584 /nfs/dbraw/zinc/96/75/84/1113967584.db2.gz MAKSYLYFULCXSE-ROUUACIJSA-N 1 3 339.524 2.209 10 0 EEAEHO CCOCCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001505436780 1113970532 /nfs/dbraw/zinc/97/05/32/1113970532.db2.gz DXHDXZVRMAWWCE-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CCOCCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001505436780 1113970534 /nfs/dbraw/zinc/97/05/34/1113970534.db2.gz DXHDXZVRMAWWCE-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO COCCCC[NH2+]C1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001505780403 1114188154 /nfs/dbraw/zinc/18/81/54/1114188154.db2.gz GGCWSQUMPYZRMD-UHFFFAOYSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1ncc(CNC2CCC(N(C)C(=O)C3(C[NH+](C)C)CC3)CC2)o1 ZINC001505784913 1114190596 /nfs/dbraw/zinc/19/05/96/1114190596.db2.gz SEEAVVDRPZPNOZ-UHFFFAOYSA-N 1 3 348.491 2.184 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001507014163 1115054547 /nfs/dbraw/zinc/05/45/47/1115054547.db2.gz WJDMCMUXSQZSPF-ZZQZRYSSSA-N 1 3 327.900 2.438 10 0 EEAEHO Cc1ccccc1CCC[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001507130131 1115124142 /nfs/dbraw/zinc/12/41/42/1115124142.db2.gz RTVSKUCLPRTNKU-INIZCTEOSA-N 1 3 328.460 2.330 10 0 EEAEHO C[C@H](F)CC[NH2+]CC[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001568060384 1124265276 /nfs/dbraw/zinc/26/52/76/1124265276.db2.gz LKMSRKIYISKPEU-JKSUJKDBSA-N 1 3 327.488 2.437 10 0 EEAEHO O=C(NCc1ccc(CNC/C=C\Cl)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC001568118459 1124312420 /nfs/dbraw/zinc/31/24/20/1124312420.db2.gz TZURLUJRQHXVED-PEMRVSMSSA-N 1 3 347.890 2.487 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@H](C)CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001568193356 1124348265 /nfs/dbraw/zinc/34/82/65/1124348265.db2.gz BBZGWWWVMOAMRC-ROUUACIJSA-N 1 3 331.504 2.221 10 0 EEAEHO CC(C)OCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001568533455 1124596216 /nfs/dbraw/zinc/59/62/16/1124596216.db2.gz ROWDBMXLPNMEKB-SJORKVTESA-N 1 3 339.524 2.160 10 0 EEAEHO CCOCCN(C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001569118927 1125111057 /nfs/dbraw/zinc/11/10/57/1125111057.db2.gz XKAWMHCSOYSLGF-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO CCOCCN(C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001569118927 1125111061 /nfs/dbraw/zinc/11/10/61/1125111061.db2.gz XKAWMHCSOYSLGF-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cnc([C@@H](C)NCCCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)cn1 ZINC001569202080 1125161213 /nfs/dbraw/zinc/16/12/13/1125161213.db2.gz UIYBZGXOMMAGCC-SJLPKXTDSA-N 1 3 347.507 2.157 10 0 EEAEHO Cc1cnc([C@@H](C)NCCCN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC001569202080 1125161219 /nfs/dbraw/zinc/16/12/19/1125161219.db2.gz UIYBZGXOMMAGCC-SJLPKXTDSA-N 1 3 347.507 2.157 10 0 EEAEHO Cc1oncc1CNCCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001569270564 1125209577 /nfs/dbraw/zinc/20/95/77/1125209577.db2.gz ZPFWVGWKFPYWGU-QGZVFWFLSA-N 1 3 336.480 2.042 10 0 EEAEHO Fc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423196141 282988559 /nfs/dbraw/zinc/98/85/59/282988559.db2.gz ZAPUOMKQBJDEBR-WZGPROSRSA-N 1 3 333.451 2.151 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H]1c1ccccc1 ZINC000340143363 283126900 /nfs/dbraw/zinc/12/69/00/283126900.db2.gz CRMFXWCLKZBHSF-YDZRNGNQSA-N 1 3 342.487 2.358 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]1c1ccccc1 ZINC000340143363 283126903 /nfs/dbraw/zinc/12/69/03/283126903.db2.gz CRMFXWCLKZBHSF-YDZRNGNQSA-N 1 3 342.487 2.358 10 0 EEAEHO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000425370355 241141489 /nfs/dbraw/zinc/14/14/89/241141489.db2.gz NYONCKPEFAJHIQ-ZWKOTPCHSA-N 1 3 347.528 2.368 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2N(C)CCCC2(C)C)[C@@H](C)C1 ZINC000448252766 242384931 /nfs/dbraw/zinc/38/49/31/242384931.db2.gz RPXSRKLUJMULFF-ULQDDVLXSA-N 1 3 338.540 2.479 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2N(C)CCCC2(C)C)[C@@H](C)C1 ZINC000448252766 242384937 /nfs/dbraw/zinc/38/49/37/242384937.db2.gz RPXSRKLUJMULFF-ULQDDVLXSA-N 1 3 338.540 2.479 10 0 EEAEHO CN(C)Cc1ccc2c(c1)[C@H](C[NH3+])N(Cc1ccc3c(c1)OCO3)C2 ZINC000071683872 203103699 /nfs/dbraw/zinc/10/36/99/203103699.db2.gz KQYPJRJKCVOQFQ-SFHVURJKSA-N 1 3 339.439 2.493 10 0 EEAEHO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000459636348 245193404 /nfs/dbraw/zinc/19/34/04/245193404.db2.gz HCMKUIUIJSPLEF-INIZCTEOSA-N 1 3 344.503 2.125 10 0 EEAEHO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N1CCCN(C)CC1 ZINC000043091034 204211661 /nfs/dbraw/zinc/21/16/61/204211661.db2.gz KLFLRIAZVOBJKM-DOMZBBRYSA-N 1 3 326.282 2.475 10 0 EEAEHO CCN1CCC[C@@H](CN(C)C[C@@H]2CCC[NH2+]C2)[C@@H]1c1cnn(C)c1 ZINC000262002258 285228707 /nfs/dbraw/zinc/22/87/07/285228707.db2.gz UFAGICKYZMGMSX-ZIFCJYIRSA-N 1 3 333.524 2.125 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)CC(F)(F)F ZINC000457519409 285245868 /nfs/dbraw/zinc/24/58/68/285245868.db2.gz FCQPQGCZNSOIQA-UONOGXRCSA-N 1 3 337.430 2.449 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)CC(F)(F)F ZINC000457519409 285245871 /nfs/dbraw/zinc/24/58/71/285245871.db2.gz FCQPQGCZNSOIQA-UONOGXRCSA-N 1 3 337.430 2.449 10 0 EEAEHO CN1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCC2)[C@@H]1c1ccccc1 ZINC000275422067 274246352 /nfs/dbraw/zinc/24/63/52/274246352.db2.gz HVBWLYKPJYDLSO-SJORKVTESA-N 1 3 330.476 2.215 10 0 EEAEHO Cc1nc2ccccn2c(=O)c1CCN1CCC(CC[NH+](C)C)CC1 ZINC000289551104 275126730 /nfs/dbraw/zinc/12/67/30/275126730.db2.gz DJLAIFRSABOSJZ-UHFFFAOYSA-N 1 3 342.487 2.209 10 0 EEAEHO CC[C@@H](CO)N1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)CC1 ZINC000298483797 294509021 /nfs/dbraw/zinc/50/90/21/294509021.db2.gz ADCUSFCPUNCNBW-AWEZNQCLSA-N 1 3 345.443 2.145 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCC1([NH3+])CCCCC1 ZINC000417201000 313447075 /nfs/dbraw/zinc/44/70/75/313447075.db2.gz VJFROCTYFXUXIL-QGZVFWFLSA-N 1 3 332.492 2.120 10 0 EEAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)N(C)C ZINC000418183586 313739031 /nfs/dbraw/zinc/73/90/31/313739031.db2.gz OLLZXDTXJZYOSD-ONIAQPFYSA-N 1 3 332.492 2.283 10 0 EEAEHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000418579299 313851618 /nfs/dbraw/zinc/85/16/18/313851618.db2.gz RGDZTIIXFMPJFM-SJLPKXTDSA-N 1 3 332.492 2.066 10 0 EEAEHO C[NH+](C)Cc1cccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000261775727 463856857 /nfs/dbraw/zinc/85/68/57/463856857.db2.gz XJQZJKFSCYWLQQ-FRQCXROJSA-N 1 3 331.460 2.219 10 0 EEAEHO CC1(C)CN(C(=O)C2CCN(Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000262168279 463962478 /nfs/dbraw/zinc/96/24/78/463962478.db2.gz YJAUNUCHFIRFJZ-GOSISDBHSA-N 1 3 329.488 2.484 10 0 EEAEHO C[C@@H]1CN(CC2CCN(C(=O)CCCCCC[NH3+])CC2)C[C@@H](C)O1 ZINC000237500458 464330702 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C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@H](O)c1cccc(Br)c1 ZINC000926375914 678251778 /nfs/dbraw/zinc/25/17/78/678251778.db2.gz YJMYPGSOKRCOOY-XFDYKOMQSA-N 1 3 339.277 2.412 10 0 EEAEHO Cc1ncoc1CNC[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001485705584 1191899199 /nfs/dbraw/zinc/89/91/99/1191899199.db2.gz UXXOVGPHCOOIDZ-QAQDUYKDSA-N 1 3 348.491 2.234 10 0 EEAEHO Cc1nc(CNCCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)sc1C ZINC001485747625 1191929816 /nfs/dbraw/zinc/92/98/16/1191929816.db2.gz GISPYIFVMVVMHF-WFASDCNBSA-N 1 3 338.521 2.086 10 0 EEAEHO Cc1nc(CNCCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)sc1C ZINC001485747625 1191929819 /nfs/dbraw/zinc/92/98/19/1191929819.db2.gz GISPYIFVMVVMHF-WFASDCNBSA-N 1 3 338.521 2.086 10 0 EEAEHO CN(CCNCc1cc2ccccc2o1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266701763 1177226905 /nfs/dbraw/zinc/22/69/05/1177226905.db2.gz DVDYWUJWHLOEHP-GOSISDBHSA-N 1 3 341.455 2.323 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCOC(C)C)C1 ZINC001266825549 1177498167 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CCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1cc(F)ccc1C ZINC001481011645 1179489979 /nfs/dbraw/zinc/48/99/79/1179489979.db2.gz IAWSGMBSEUFDQT-INIZCTEOSA-N 1 3 335.467 2.414 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]CCc1ccccc1Cl ZINC001268012659 1180974780 /nfs/dbraw/zinc/97/47/80/1180974780.db2.gz QQJCHANDSINGMK-ZDUSSCGKSA-N 1 3 348.878 2.499 10 0 EEAEHO C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCC(F)(F)C1 ZINC001481386782 1181176173 /nfs/dbraw/zinc/17/61/73/1181176173.db2.gz YUAGDKXPPLRFIQ-OAGGEKHMSA-N 1 3 343.462 2.439 10 0 EEAEHO C[NH+](C)CCC(=O)N1CCCC[C@H]1CCNCc1cc(C2CC2)no1 ZINC001268161602 1181874799 /nfs/dbraw/zinc/87/47/99/1181874799.db2.gz DSLVNDVIJMDTLA-INIZCTEOSA-N 1 3 348.491 2.365 10 0 EEAEHO CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)NCc1cncs1 ZINC001481865333 1182833561 /nfs/dbraw/zinc/83/35/61/1182833561.db2.gz XXLQQMWLBYPRLM-HNNXBMFYSA-N 1 3 338.521 2.248 10 0 EEAEHO Cc1cc(F)ccc1CNC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268540913 1183208476 /nfs/dbraw/zinc/20/84/76/1183208476.db2.gz BPCHFYWBZARAHF-PGFQARHSSA-N 1 3 333.451 2.236 10 0 EEAEHO Cc1cc(F)ccc1CNC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268540913 1183208482 /nfs/dbraw/zinc/20/84/82/1183208482.db2.gz BPCHFYWBZARAHF-PGFQARHSSA-N 1 3 333.451 2.236 10 0 EEAEHO CC(C)n1ccc(CNCCCN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)n1 ZINC001268790462 1183706807 /nfs/dbraw/zinc/70/68/07/1183706807.db2.gz FZUPPAAFRJYFTJ-GOSISDBHSA-N 1 3 349.523 2.275 10 0 EEAEHO CC(C)n1ccc(CNCCCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)n1 ZINC001268790462 1183706808 /nfs/dbraw/zinc/70/68/08/1183706808.db2.gz FZUPPAAFRJYFTJ-GOSISDBHSA-N 1 3 349.523 2.275 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]Cc2cncc(F)c2)CC1 ZINC001269839512 1184656487 /nfs/dbraw/zinc/65/64/87/1184656487.db2.gz ZOEQJNFNKJSLLV-GOSISDBHSA-N 1 3 348.466 2.033 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCF)C1CCCCC1 ZINC001482406645 1185630611 /nfs/dbraw/zinc/63/06/11/1185630611.db2.gz NBNIZRHKSNWCKY-SJORKVTESA-N 1 3 327.488 2.483 10 0 EEAEHO COCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001482468102 1185972089 /nfs/dbraw/zinc/97/20/89/1185972089.db2.gz IWLOZIWQENBMQQ-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1[NH2+]CCCF ZINC001271395913 1186186322 /nfs/dbraw/zinc/18/63/22/1186186322.db2.gz UHNJKSVHOKOHKI-HZPDHXFCSA-N 1 3 327.488 2.437 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCOC1CCC1 ZINC001271495911 1186275547 /nfs/dbraw/zinc/27/55/47/1186275547.db2.gz ZQPSOOTYVNHZDJ-AEFFLSMTSA-N 1 3 337.508 2.011 10 0 EEAEHO Cc1ncc(CNC[C@@H]2CCC[C@H]2NC(=O)CC[NH+]2CCCCC2)o1 ZINC001482699699 1187677225 /nfs/dbraw/zinc/67/72/25/1187677225.db2.gz ZDHFDGOTEMVCIM-FUHWJXTLSA-N 1 3 348.491 2.234 10 0 EEAEHO Cc1cnc(CNCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)s1 ZINC001482890678 1187817845 /nfs/dbraw/zinc/81/78/45/1187817845.db2.gz YEUHFWUMPIZDIL-IUODEOHRSA-N 1 3 326.510 2.022 10 0 EEAEHO Cc1cccc(CCC[NH2+]C/C=C\CNC(=O)[C@@H]2CCCN2C)c1 ZINC001482992136 1187970102 /nfs/dbraw/zinc/97/01/02/1187970102.db2.gz VRXPEHHSBHOXRD-LLHWWHOWSA-N 1 3 329.488 2.284 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001483044792 1188242121 /nfs/dbraw/zinc/24/21/21/1188242121.db2.gz RXFDJIOMZZPNLX-LHRDXKRPSA-N 1 3 326.444 2.024 10 0 EEAEHO CN(CC[NH2+]CCc1c(F)cccc1Cl)C(=O)CN1CCCC1 ZINC001691602946 1188302948 /nfs/dbraw/zinc/30/29/48/1188302948.db2.gz MARCZOXWDXRRJC-UHFFFAOYSA-N 1 3 341.858 2.165 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)C1(N(C)C)CCC1 ZINC001272828778 1193567051 /nfs/dbraw/zinc/56/70/51/1193567051.db2.gz DAJVMWWJBFCZSC-ZDUSSCGKSA-N 1 3 338.883 2.204 10 0 EEAEHO Cc1nn(C(C)C)cc1C[NH2+][C@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001409348666 1189556750 /nfs/dbraw/zinc/55/67/50/1189556750.db2.gz FRCCTFHAIJWZGH-CABCVRRESA-N 1 3 349.523 2.240 10 0 EEAEHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001409432597 1189665751 /nfs/dbraw/zinc/66/57/51/1189665751.db2.gz MJJQDJDCUGDTJN-HZPDHXFCSA-N 1 3 331.504 2.500 10 0 EEAEHO C[C@@H]1[C@H]([NH2+]C/C=C\c2ccccc2)CCN1C(=O)CN1CCCC1 ZINC001486094459 1193679777 /nfs/dbraw/zinc/67/97/77/1193679777.db2.gz BDCHHTOBMPAHAG-OSKOBQJQSA-N 1 3 327.472 2.375 10 0 EEAEHO C[C@@H]1[C@@H]([NH2+]C/C=C\c2ccccc2)CCN1C(=O)CN1CCCC1 ZINC001486094460 1193679638 /nfs/dbraw/zinc/67/96/38/1193679638.db2.gz BDCHHTOBMPAHAG-YXGRLTDGSA-N 1 3 327.472 2.375 10 0 EEAEHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]Cc1cnc(C)o1 ZINC001483621351 1190604844 /nfs/dbraw/zinc/60/48/44/1190604844.db2.gz GXLNGCBDWCBONV-RDJZCZTQSA-N 1 3 336.480 2.040 10 0 EEAEHO Cc1ncoc1CN[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H](C)C1 ZINC001483913146 1191114147 /nfs/dbraw/zinc/11/41/47/1191114147.db2.gz FQDRIISPCHWMAO-RDJZCZTQSA-N 1 3 348.491 2.328 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@]1(C)CCN(Cc2ccc3ncccc3c2)C1 ZINC001484057723 1191185773 /nfs/dbraw/zinc/18/57/73/1191185773.db2.gz LSZLQBPZIRKAOL-FQEVSTJZSA-N 1 3 340.471 2.267 10 0 EEAEHO Cc1ccc(F)cc1C[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484538670 1191405059 /nfs/dbraw/zinc/40/50/59/1191405059.db2.gz FPEFKIAGLOSMIG-OAHLLOKOSA-N 1 3 344.434 2.428 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCCC(C)C)C1 ZINC001484678292 1191467267 /nfs/dbraw/zinc/46/72/67/1191467267.db2.gz JWSQIEIDYAHZOT-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CCC1([NH2+]Cc2c(C)noc2C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001484809369 1191531968 /nfs/dbraw/zinc/53/19/68/1191531968.db2.gz GITQIYSHZRCPDA-KRWDZBQOSA-N 1 3 348.491 2.246 10 0 EEAEHO C[C@H](NCc1ccc(F)c(F)c1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001485185357 1191680711 /nfs/dbraw/zinc/68/07/11/1191680711.db2.gz DGINVOBXCSRPBN-STQMWFEESA-N 1 3 339.430 2.289 10 0 EEAEHO CCOCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1C ZINC001486182150 1193718994 /nfs/dbraw/zinc/71/89/94/1193718994.db2.gz XLLHLSXQBADBFQ-SJORKVTESA-N 1 3 339.524 2.257 10 0 EEAEHO CCOCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1C ZINC001486182150 1193718996 /nfs/dbraw/zinc/71/89/96/1193718996.db2.gz XLLHLSXQBADBFQ-SJORKVTESA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+]Cc1ccccc1N(C)C ZINC001273151987 1197082895 /nfs/dbraw/zinc/08/28/95/1197082895.db2.gz UDZABGHBCRWADC-CQSZACIVSA-N 1 3 343.475 2.011 10 0 EEAEHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnc3c(cnn3C)c2)[C@@H](C)C1 ZINC000865465475 1198232646 /nfs/dbraw/zinc/23/26/46/1198232646.db2.gz AXBMOWPBUPQREN-MAUKXSAKSA-N 1 3 345.491 2.195 10 0 EEAEHO Cc1cncc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001410946841 1198612818 /nfs/dbraw/zinc/61/28/18/1198612818.db2.gz BZWHNUDQIIEBRP-FUHWJXTLSA-N 1 3 332.492 2.105 10 0 EEAEHO Cc1nc(C)c(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C2)o1 ZINC001410962416 1198636995 /nfs/dbraw/zinc/63/69/95/1198636995.db2.gz RZJHPOUQXHZLKS-CVEARBPZSA-N 1 3 336.480 2.006 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@H](SC)C3)CC2)CC1 ZINC000871095568 1201050763 /nfs/dbraw/zinc/05/07/63/1201050763.db2.gz BNLJPAIDZFEBQY-JCNLHEQBSA-N 1 3 339.549 2.193 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc(Cl)n1 ZINC000868036267 1201731503 /nfs/dbraw/zinc/73/15/03/1201731503.db2.gz WHEMCOITLVNQET-NWANDNLSSA-N 1 3 336.867 2.034 10 0 EEAEHO Cc1ncc(CNCC(C)NC(=O)c2ccc(-c3cn[nH]c3)cc2)o1 ZINC001275368768 1205323466 /nfs/dbraw/zinc/32/34/66/1205323466.db2.gz AMHQBNJIPNXTNB-LBPRGKRZSA-N 1 3 339.399 2.281 10 0 EEAEHO Cc1ncc(C[NH2+]CC(C)NC(=O)c2ccc(-c3cn[nH]c3)cc2)o1 ZINC001275368768 1205323469 /nfs/dbraw/zinc/32/34/69/1205323469.db2.gz AMHQBNJIPNXTNB-LBPRGKRZSA-N 1 3 339.399 2.281 10 0 EEAEHO COc1cc(OC)cc(N2CC[C@H](CN[C@H]3CCC[NH2+][C@H]3C)C2)c1 ZINC000925552433 1206126924 /nfs/dbraw/zinc/12/69/24/1206126924.db2.gz KXBKFLNYMSHCND-KHYOSLBOSA-N 1 3 333.476 2.260 10 0 EEAEHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000925837200 1206158829 /nfs/dbraw/zinc/15/88/29/1206158829.db2.gz COOLKPCOQYBDOO-WCQYABFASA-N 1 3 327.270 2.242 10 0 EEAEHO CCN1CCN(c2cccc(NC(=O)N3C[C@H]([NH3+])C(C)(C)C3)c2)CC1 ZINC000926095211 1206191429 /nfs/dbraw/zinc/19/14/29/1206191429.db2.gz IQQYEMCUDYWRJZ-KRWDZBQOSA-N 1 3 345.491 2.030 10 0 EEAEHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](C)[C@H]3C)cc2)CC1 ZINC000928444323 1206384812 /nfs/dbraw/zinc/38/48/12/1206384812.db2.gz KQXXWZXUFLTWSM-QFBILLFUSA-N 1 3 344.503 2.039 10 0 EEAEHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@H]3C)cc2)CC1 ZINC000928444323 1206384813 /nfs/dbraw/zinc/38/48/13/1206384813.db2.gz KQXXWZXUFLTWSM-QFBILLFUSA-N 1 3 344.503 2.039 10 0 EEAEHO Cc1nn(C(C)C)cc1CN[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001490852675 1209768726 /nfs/dbraw/zinc/76/87/26/1209768726.db2.gz UITSSNXUYGBHCT-SFHVURJKSA-N 1 3 349.523 2.195 10 0 EEAEHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CC[C@@]2(CCc3ccccc32)C1 ZINC000903937739 1242586669 /nfs/dbraw/zinc/58/66/69/1242586669.db2.gz QMHHOBBTQWJZBU-XLIONFOSSA-N 1 3 337.471 2.293 10 0 EEAEHO CCCCNCc1nc2c(s1)CCN(C(=O)CC[N@H+](C)CC)C2 ZINC001489337773 1290521525 /nfs/dbraw/zinc/52/15/25/1290521525.db2.gz RMYPCCZRZWNJON-UHFFFAOYSA-N 1 3 338.521 2.259 10 0 EEAEHO CCCCNCc1nc2c(s1)CCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001489337773 1290521531 /nfs/dbraw/zinc/52/15/31/1290521531.db2.gz RMYPCCZRZWNJON-UHFFFAOYSA-N 1 3 338.521 2.259 10 0 EEAEHO Cc1oncc1CN[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001490740825 1291654903 /nfs/dbraw/zinc/65/49/03/1291654903.db2.gz GWOWTHOCHWZVIH-QZTJIDSGSA-N 1 3 348.491 2.088 10 0 EEAEHO CCOP(=O)(OCC)[C@H](O)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000851785548 1291831503 /nfs/dbraw/zinc/83/15/03/1291831503.db2.gz QLVCEJQZAJOZOH-HOTGVXAUSA-N 1 3 348.424 2.379 10 0 EEAEHO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000851785548 1291831518 /nfs/dbraw/zinc/83/15/18/1291831518.db2.gz QLVCEJQZAJOZOH-HOTGVXAUSA-N 1 3 348.424 2.379 10 0 EEAEHO CCOP(=O)(OCC)[C@H](O)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000851785548 1291831528 /nfs/dbraw/zinc/83/15/28/1291831528.db2.gz QLVCEJQZAJOZOH-HOTGVXAUSA-N 1 3 348.424 2.379 10 0 EEAEHO CC(C)[C@H](O)C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856605017 1293579697 /nfs/dbraw/zinc/57/96/97/1293579697.db2.gz VIXZGFURJLAONL-RBUKOAKNSA-N 1 3 335.492 2.392 10 0 EEAEHO CC(C)[C@H](O)C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856605017 1293579700 /nfs/dbraw/zinc/57/97/00/1293579700.db2.gz VIXZGFURJLAONL-RBUKOAKNSA-N 1 3 335.492 2.392 10 0 EEAEHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCc4nnn(C)c4C3)CC2)C1 ZINC000927149782 1297037736 /nfs/dbraw/zinc/03/77/36/1297037736.db2.gz IWCVOTHNYKCPSN-DJIMGWMZSA-N 1 3 331.508 2.305 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cncn1C ZINC001277314250 1302341499 /nfs/dbraw/zinc/34/14/99/1302341499.db2.gz OWFVVGIUHJDCNV-WMZOPIPTSA-N 1 3 349.523 2.058 10 0 EEAEHO Cc1csc(CNCCC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001277334776 1302474993 /nfs/dbraw/zinc/47/49/93/1302474993.db2.gz APOSWAMUTZQPPI-HIFRSBDPSA-N 1 3 338.521 2.168 10 0 EEAEHO Cc1csc(CNCCC[C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001277334776 1302474997 /nfs/dbraw/zinc/47/49/97/1302474997.db2.gz APOSWAMUTZQPPI-HIFRSBDPSA-N 1 3 338.521 2.168 10 0 EEAEHO C[C@@H](CCCNCc1cccc(Cl)n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001277356274 1302614905 /nfs/dbraw/zinc/61/49/05/1302614905.db2.gz RDGTWALVTDAGCB-KBPBESRZSA-N 1 3 338.883 2.061 10 0 EEAEHO C[C@@H](CCCNCc1cccc(Cl)n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001277356274 1302614909 /nfs/dbraw/zinc/61/49/09/1302614909.db2.gz RDGTWALVTDAGCB-KBPBESRZSA-N 1 3 338.883 2.061 10 0 EEAEHO CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[C@@H](CNCCF)C1CC1 ZINC001277655152 1304109197 /nfs/dbraw/zinc/10/91/97/1304109197.db2.gz KKBBDNLJEHTUAB-SJORKVTESA-N 1 3 325.472 2.190 10 0 EEAEHO CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)[C@@H](CNCCF)C1CC1 ZINC001277655152 1304109202 /nfs/dbraw/zinc/10/92/02/1304109202.db2.gz KKBBDNLJEHTUAB-SJORKVTESA-N 1 3 325.472 2.190 10 0 EEAEHO Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC001278300142 1309148389 /nfs/dbraw/zinc/14/83/89/1309148389.db2.gz FUCVJKSHGFHIHA-APWZRJJASA-N 1 3 340.471 2.472 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2ccc(Cl)nc2)[C@@H]1C ZINC001278307136 1309234234 /nfs/dbraw/zinc/23/42/34/1309234234.db2.gz BMMOBXYJTHAPFG-DZGCQCFKSA-N 1 3 338.883 2.156 10 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1325303523 /nfs/dbraw/zinc/30/35/23/1325303523.db2.gz PTNAVHZACCAHPA-SJORKVTESA-N 1 3 341.540 2.216 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2Cl)C1 ZINC001491790200 1330256791 /nfs/dbraw/zinc/25/67/91/1330256791.db2.gz BFZBVOUAKYVBRX-MAUKXSAKSA-N 1 3 349.906 2.415 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001491854914 1330275239 /nfs/dbraw/zinc/27/52/39/1330275239.db2.gz AMNNNGBJAGGRFB-KBPBESRZSA-N 1 3 335.414 2.251 10 0 EEAEHO Cc1nccnc1CN[C@H](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001492092393 1330999252 /nfs/dbraw/zinc/99/92/52/1330999252.db2.gz PFUJRGRTWROKAI-WBVHZDCISA-N 1 3 347.507 2.034 10 0 EEAEHO CN(CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)CCc1ccccc1 ZINC001492450340 1331263134 /nfs/dbraw/zinc/26/31/34/1331263134.db2.gz NKQYYHKOOQLHNC-RBUKOAKNSA-N 1 3 329.488 2.294 10 0 EEAEHO CN(CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)CCc1ccccc1 ZINC001492450340 1331263138 /nfs/dbraw/zinc/26/31/38/1331263138.db2.gz NKQYYHKOOQLHNC-RBUKOAKNSA-N 1 3 329.488 2.294 10 0 EEAEHO Cc1ccncc1CN(C)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001316860001 1331938798 /nfs/dbraw/zinc/93/87/98/1331938798.db2.gz SQOIASRIMYGWCE-IEBWSBKVSA-N 1 3 346.519 2.449 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@H](C)CNC(=O)C(C)(C)N2CCCC2)cc1 ZINC001317260057 1332156531 /nfs/dbraw/zinc/15/65/31/1332156531.db2.gz ZWVQIIFOLIPGPQ-QGZVFWFLSA-N 1 3 347.503 2.343 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]CCCc2ccsc2)C1 ZINC001317339104 1332185323 /nfs/dbraw/zinc/18/53/23/1332185323.db2.gz GPMVZRLWZXROGU-HNNXBMFYSA-N 1 3 332.473 2.085 10 0 EEAEHO CC(C)(C)[C@H](CNCCF)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001332881754 1335924204 /nfs/dbraw/zinc/92/42/04/1335924204.db2.gz MIBLKSITCJWHGZ-INIZCTEOSA-N 1 3 327.488 2.198 10 0 EEAEHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001665880307 1355403213 /nfs/dbraw/zinc/40/32/13/1355403213.db2.gz VUERKYOYPGVEOL-NEPJUHHUSA-N 1 3 347.290 2.329 10 0 EEAEHO CCN(CCNCc1cncc(C)c1)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001668652086 1355980143 /nfs/dbraw/zinc/98/01/43/1355980143.db2.gz HMDCUAKJIAKPRR-IBGZPJMESA-N 1 3 346.519 2.449 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC001502548291 1342209215 /nfs/dbraw/zinc/20/92/15/1342209215.db2.gz QKTDZMGASRPPBU-FQEVSTJZSA-N 1 3 344.503 2.238 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC001502548291 1342209218 /nfs/dbraw/zinc/20/92/18/1342209218.db2.gz QKTDZMGASRPPBU-FQEVSTJZSA-N 1 3 344.503 2.238 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@@H](C)C1CN(CCCF)C1)[NH+]1CCCCC1 ZINC001506679754 1342311758 /nfs/dbraw/zinc/31/17/58/1342311758.db2.gz PZUNKAGOJIDVAW-DOTOQJQBSA-N 1 3 327.488 2.293 10 0 EEAEHO C[C@@H]1[C@H](C(=O)N(C)CCNCc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC001567496867 1342769878 /nfs/dbraw/zinc/76/98/78/1342769878.db2.gz ADHYFIWRNBUQGR-TZMCWYRMSA-N 1 3 341.858 2.367 10 0 EEAEHO C[C@@H]1[C@H](C(=O)N(C)CCNCc2ccc(F)c(Cl)c2)CC[N@H+]1C ZINC001567496867 1342769881 /nfs/dbraw/zinc/76/98/81/1342769881.db2.gz ADHYFIWRNBUQGR-TZMCWYRMSA-N 1 3 341.858 2.367 10 0 EEAEHO Cc1ccncc1C[NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001569983872 1342988082 /nfs/dbraw/zinc/98/80/82/1342988082.db2.gz KXUGQAOAVSARIR-KRWDZBQOSA-N 1 3 344.503 2.203 10 0 EEAEHO Cc1csc(CNCC[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)n1 ZINC001569998028 1342993702 /nfs/dbraw/zinc/99/37/02/1342993702.db2.gz GLEUYTSUXWKZPX-HNNXBMFYSA-N 1 3 338.521 2.122 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCCOc2ccccc2)CC1(C)C ZINC001570902479 1343136969 /nfs/dbraw/zinc/13/69/69/1343136969.db2.gz SXFGXUVLGSMDJK-GOSISDBHSA-N 1 3 347.503 2.234 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H](C)F)C1 ZINC001571168973 1343165714 /nfs/dbraw/zinc/16/57/14/1343165714.db2.gz WQESPQCDRMUKGC-QAETUUGQSA-N 1 3 327.488 2.482 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001676968939 1357251681 /nfs/dbraw/zinc/25/16/81/1357251681.db2.gz FDSWWPKMGYEHFY-NEPJUHHUSA-N 1 3 332.370 2.088 10 0 EEAEHO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC001649857139 1353628482 /nfs/dbraw/zinc/62/84/82/1353628482.db2.gz XHIDPOFHYGQELH-ROUUACIJSA-N 1 3 331.460 2.099 10 0 EEAEHO CN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1cc(F)cc(F)c1 ZINC001660368066 1354450208 /nfs/dbraw/zinc/45/02/08/1354450208.db2.gz CTICEVRPMVAUJE-CQSZACIVSA-N 1 3 339.430 2.245 10 0 EEAEHO CN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1cc(F)cc(F)c1 ZINC001660368066 1354450212 /nfs/dbraw/zinc/45/02/12/1354450212.db2.gz CTICEVRPMVAUJE-CQSZACIVSA-N 1 3 339.430 2.245 10 0 EEAEHO O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H](NCc2ccns2)C1 ZINC001661515100 1354648027 /nfs/dbraw/zinc/64/80/27/1354648027.db2.gz JCJPXLRHGLFZRU-SHTZXODSSA-N 1 3 336.505 2.146 10 0 EEAEHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]CCOc1ccccc1 ZINC001662349916 1354784355 /nfs/dbraw/zinc/78/43/55/1354784355.db2.gz GGULJNHLTUOJFE-ROUUACIJSA-N 1 3 347.503 2.424 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]CCCc2cccc(F)c2)C1 ZINC001662691805 1354827224 /nfs/dbraw/zinc/82/72/24/1354827224.db2.gz YBLIGXLFIJFLFE-MRXNPFEDSA-N 1 3 344.434 2.162 10 0 EEAEHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001662713271 1354830571 /nfs/dbraw/zinc/83/05/71/1354830571.db2.gz YZYMSWRSGOOJHE-TZMCWYRMSA-N 1 3 336.307 2.330 10 0 EEAEHO Cc1ccncc1CNCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001664282092 1355129520 /nfs/dbraw/zinc/12/95/20/1355129520.db2.gz LWAQEUFTQLJDCV-UHFFFAOYSA-N 1 3 332.492 2.058 10 0 EEAEHO CN(CC(=O)N1CCC[C@H](CC[NH2+]Cc2ccccn2)C1)C1CCC1 ZINC001666115158 1355455464 /nfs/dbraw/zinc/45/54/64/1355455464.db2.gz JJLQTRNFSWDHIF-QGZVFWFLSA-N 1 3 344.503 2.284 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2CNCC=C(Cl)Cl)C1 ZINC001666476041 1355530588 /nfs/dbraw/zinc/53/05/88/1355530588.db2.gz CFTXFOPTZFBIQI-CHWSQXEVSA-N 1 3 334.291 2.228 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2CNCC=C(Cl)Cl)C1 ZINC001666476041 1355530593 /nfs/dbraw/zinc/53/05/93/1355530593.db2.gz CFTXFOPTZFBIQI-CHWSQXEVSA-N 1 3 334.291 2.228 10 0 EEAEHO CC(C)[C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCF ZINC001667494174 1355750156 /nfs/dbraw/zinc/75/01/56/1355750156.db2.gz SSMMILWQWOZUHL-YOEHRIQHSA-N 1 3 333.467 2.289 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC(F)(F)C1 ZINC001668059901 1355859069 /nfs/dbraw/zinc/85/90/69/1355859069.db2.gz KXGDDXKKDWDMFD-UKRRQHHQSA-N 1 3 331.451 2.389 10 0 EEAEHO Cc1cnc(CNCC[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)cn1 ZINC001668235192 1355906279 /nfs/dbraw/zinc/90/62/79/1355906279.db2.gz ZWEGWKNPPJUZGW-NVXWUHKLSA-N 1 3 347.507 2.034 10 0 EEAEHO C[C@H](CCNCc1cc(F)ccc1Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001668310037 1355921025 /nfs/dbraw/zinc/92/10/25/1355921025.db2.gz PQZPXTRERIHFJB-OLZOCXBDSA-N 1 3 341.858 2.415 10 0 EEAEHO C[C@H](CCNCc1cc(F)ccc1Cl)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001668310037 1355921026 /nfs/dbraw/zinc/92/10/26/1355921026.db2.gz PQZPXTRERIHFJB-OLZOCXBDSA-N 1 3 341.858 2.415 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1scnc1C ZINC001668854142 1356023652 /nfs/dbraw/zinc/02/36/52/1356023652.db2.gz PDKBYLLRZOJRRY-XVWMLYKFSA-N 1 3 336.505 2.088 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1scnc1C ZINC001668854142 1356023655 /nfs/dbraw/zinc/02/36/55/1356023655.db2.gz PDKBYLLRZOJRRY-XVWMLYKFSA-N 1 3 336.505 2.088 10 0 EEAEHO C[C@H](C[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)C1(N(C)C)CCC1 ZINC001669313545 1356144053 /nfs/dbraw/zinc/14/40/53/1356144053.db2.gz ZDXDLQUEZCURPH-KGLIPLIRSA-N 1 3 331.451 2.391 10 0 EEAEHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]C/C=C/Cl ZINC001672320330 1356500432 /nfs/dbraw/zinc/50/04/32/1356500432.db2.gz HIVNYPPKBRPWIU-NEBFAKBJSA-N 1 3 327.900 2.155 10 0 EEAEHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccnc(Cl)c1 ZINC001698747588 1405042321 /nfs/dbraw/zinc/04/23/21/1405042321.db2.gz DPMYQMNSKKRFSL-CYBMUJFWSA-N 1 3 338.883 2.061 10 0 EEAEHO Cc1cc(F)ccc1CNC/C=C/CNC(=O)C1(C[NH+](C)C)CC1 ZINC001699296143 1405327918 /nfs/dbraw/zinc/32/79/18/1405327918.db2.gz LCINQARBCYXEEC-SNAWJCMRSA-N 1 3 333.451 2.238 10 0 EEAEHO C[C@H](CNCc1ccc(Cl)nc1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001699366705 1405341548 /nfs/dbraw/zinc/34/15/48/1405341548.db2.gz SKNBNWYGHORCPX-UKRRQHHQSA-N 1 3 338.883 2.204 10 0 EEAEHO C[C@H](CNCc1ccc(Cl)nc1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001699366705 1405341557 /nfs/dbraw/zinc/34/15/57/1405341557.db2.gz SKNBNWYGHORCPX-UKRRQHHQSA-N 1 3 338.883 2.204 10 0 EEAEHO C[C@H](F)CC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001699577493 1405402522 /nfs/dbraw/zinc/40/25/22/1405402522.db2.gz UBLMCSOTJCAUJX-GOEBONIOSA-N 1 3 327.488 2.483 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)OCc1ccccc1 ZINC000820081392 785781676 /nfs/dbraw/zinc/78/16/76/785781676.db2.gz ZNCOJZKMJGDJIE-INIZCTEOSA-N 1 3 336.480 2.032 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)OCc1ccccc1 ZINC000820081392 785781681 /nfs/dbraw/zinc/78/16/81/785781681.db2.gz ZNCOJZKMJGDJIE-INIZCTEOSA-N 1 3 336.480 2.032 10 0 EEAEHO COc1ccc(CN(C(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)C2CC2)cc1 ZINC000923497247 789670978 /nfs/dbraw/zinc/67/09/78/789670978.db2.gz AWJIRJYOYAJYKT-DOTOQJQBSA-N 1 3 345.487 2.103 10 0 EEAEHO O[C@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCSC1 ZINC000716654111 796404884 /nfs/dbraw/zinc/40/48/84/796404884.db2.gz FEMNIAWCXIIWKK-RDGPPVDQSA-N 1 3 332.513 2.497 10 0 EEAEHO CNC(=O)C(C)(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716677340 796405628 /nfs/dbraw/zinc/40/56/28/796405628.db2.gz DVUSJFNUKQSYSD-BZSNNMDCSA-N 1 3 329.488 2.401 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](C)c1cnccn1 ZINC001566562699 1125736485 /nfs/dbraw/zinc/73/64/85/1125736485.db2.gz JSVOMAHVTVAZHO-BBWFWOEESA-N 1 3 347.507 2.096 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](C)c1cnccn1 ZINC001566562699 1125736489 /nfs/dbraw/zinc/73/64/89/1125736489.db2.gz JSVOMAHVTVAZHO-BBWFWOEESA-N 1 3 347.507 2.096 10 0 EEAEHO C[C@H](NCc1ccc(F)cn1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001436666213 1088101176 /nfs/dbraw/zinc/10/11/76/1088101176.db2.gz LHMKLGZQYCNQMG-YOEHRIQHSA-N 1 3 336.455 2.032 10 0 EEAEHO CC[C@H](C(=O)N(C)C1CC[NH+](C[C@@H](OC)C2CCC2)CC1)N(C)C ZINC001436670420 1088109696 /nfs/dbraw/zinc/10/96/96/1088109696.db2.gz WUDWZUMFCGIIET-QZTJIDSGSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)Oc1ccccc1CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001437264879 1089410235 /nfs/dbraw/zinc/41/02/35/1089410235.db2.gz XLNRVDBXKSFFAE-DOTOQJQBSA-N 1 3 333.476 2.020 10 0 EEAEHO CC(C)Oc1ccccc1CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001437264879 1089410245 /nfs/dbraw/zinc/41/02/45/1089410245.db2.gz XLNRVDBXKSFFAE-DOTOQJQBSA-N 1 3 333.476 2.020 10 0 EEAEHO Cc1ccncc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001437325998 1089494289 /nfs/dbraw/zinc/49/42/89/1089494289.db2.gz SFHUKZPXTQJFCO-QZTJIDSGSA-N 1 3 332.492 2.247 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(F)(F)C2)CC1 ZINC001438444802 1090948628 /nfs/dbraw/zinc/94/86/28/1090948628.db2.gz KYNUCPLGYOEJEB-SHTZXODSSA-N 1 3 331.451 2.389 10 0 EEAEHO Cc1cccnc1C[NH+]1CCC(CCNC(=O)CN(C)C(C)C)CC1 ZINC001438451821 1090958511 /nfs/dbraw/zinc/95/85/11/1090958511.db2.gz KFDZLSABKPCPJB-UHFFFAOYSA-N 1 3 346.519 2.449 10 0 EEAEHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001438537587 1091029430 /nfs/dbraw/zinc/02/94/30/1091029430.db2.gz CGKOKDPJZHHZEC-KBXCAEBGSA-N 1 3 330.476 2.350 10 0 EEAEHO C[C@@H](C[NH2+]Cc1cc2ccccc2o1)N(C)C(=O)[C@@H]1CCCN1C ZINC001438637872 1091119737 /nfs/dbraw/zinc/11/97/37/1091119737.db2.gz PLWQAVVMHUINTQ-YOEHRIQHSA-N 1 3 329.444 2.464 10 0 EEAEHO Cc1nn(C(C)C)cc1CNC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001445385735 1091129676 /nfs/dbraw/zinc/12/96/76/1091129676.db2.gz LKWKFYSHLNYIFY-QAPCUYQASA-N 1 3 349.523 2.241 10 0 EEAEHO Cc1nn(C(C)C)cc1CNC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001445385735 1091129679 /nfs/dbraw/zinc/12/96/79/1091129679.db2.gz LKWKFYSHLNYIFY-QAPCUYQASA-N 1 3 349.523 2.241 10 0 EEAEHO C[C@H](CNCc1ccc(Cl)s1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001445476378 1091252576 /nfs/dbraw/zinc/25/25/76/1091252576.db2.gz QPYUIHKRVQEWGH-NEPJUHHUSA-N 1 3 329.897 2.338 10 0 EEAEHO C[C@H](CNCc1ccc(Cl)s1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001445476378 1091252583 /nfs/dbraw/zinc/25/25/83/1091252583.db2.gz QPYUIHKRVQEWGH-NEPJUHHUSA-N 1 3 329.897 2.338 10 0 EEAEHO Cc1ncoc1C[N@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001438772063 1091357764 /nfs/dbraw/zinc/35/77/64/1091357764.db2.gz DGOAXAIXBCEXFC-UHFFFAOYSA-N 1 3 348.491 2.139 10 0 EEAEHO Cc1ncoc1C[N@@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001438772063 1091357767 /nfs/dbraw/zinc/35/77/67/1091357767.db2.gz DGOAXAIXBCEXFC-UHFFFAOYSA-N 1 3 348.491 2.139 10 0 EEAEHO CC(C)[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001438829831 1091447654 /nfs/dbraw/zinc/44/76/54/1091447654.db2.gz QHEQYBXLZBOIDW-MAUKXSAKSA-N 1 3 335.467 2.398 10 0 EEAEHO C[C@@H](NCC[C@H](C)NC(=O)CC[NH+](C)C)c1c(F)cccc1F ZINC001439051018 1091697668 /nfs/dbraw/zinc/69/76/68/1091697668.db2.gz ASKWLZBRYPVJID-QWHCGFSZSA-N 1 3 327.419 2.462 10 0 EEAEHO C[C@H](NC[C@H](NC(=O)CC[NH+](C)C)C1CC1)c1cc(F)ccc1F ZINC001445966836 1091920676 /nfs/dbraw/zinc/92/06/76/1091920676.db2.gz JZIQFOULMSGCIZ-SJCJKPOMSA-N 1 3 339.430 2.462 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(F)cc1C)C1CC1)N(C)C ZINC001439486110 1092296335 /nfs/dbraw/zinc/29/63/35/1092296335.db2.gz RCSWOQBFGJUARG-QZTJIDSGSA-N 1 3 335.467 2.459 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]C[C@H]1CCC(F)(F)C1)C1CC1 ZINC001439487951 1092303158 /nfs/dbraw/zinc/30/31/58/1092303158.db2.gz IVGPNYLRRFACSZ-WFASDCNBSA-N 1 3 340.418 2.180 10 0 EEAEHO C[NH+](C)CCC(=O)NCC1(NCc2cccc(C(F)(F)F)c2)CC1 ZINC001439639516 1092562269 /nfs/dbraw/zinc/56/22/69/1092562269.db2.gz DVFJKDIRYRLIMJ-UHFFFAOYSA-N 1 3 343.393 2.396 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1conc1C ZINC001440133142 1093198726 /nfs/dbraw/zinc/19/87/26/1093198726.db2.gz YJQBBENLUHVONI-VBUUOAMHSA-N 1 3 348.491 2.184 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1conc1C ZINC001440133142 1093198738 /nfs/dbraw/zinc/19/87/38/1093198738.db2.gz YJQBBENLUHVONI-VBUUOAMHSA-N 1 3 348.491 2.184 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001440355719 1093510183 /nfs/dbraw/zinc/51/01/83/1093510183.db2.gz LNXQVIMCMPOWRL-BQFCYCMXSA-N 1 3 333.520 2.393 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc(C)c(C)s2)C1 ZINC001448517573 1093545917 /nfs/dbraw/zinc/54/59/17/1093545917.db2.gz RSHYPGVNOMIFPQ-SHTZXODSSA-N 1 3 338.521 2.086 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH2+]CC2CC2)C1 ZINC001440423049 1093619459 /nfs/dbraw/zinc/61/94/59/1093619459.db2.gz WEKSUISMHJAPDP-GJZGRUSLSA-N 1 3 349.441 2.353 10 0 EEAEHO Cc1ncc(CN[C@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)s1 ZINC001440475502 1093703410 /nfs/dbraw/zinc/70/34/10/1093703410.db2.gz SKHRCJDUCLDWCX-HNNXBMFYSA-N 1 3 338.521 2.264 10 0 EEAEHO Cc1ccncc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001440818546 1094072017 /nfs/dbraw/zinc/07/20/17/1094072017.db2.gz IHAULMBXCHBFTO-HOTGVXAUSA-N 1 3 332.492 2.247 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)C1C[NH+](CCCc2ccccc2)C1 ZINC001441205932 1094568255 /nfs/dbraw/zinc/56/82/55/1094568255.db2.gz JZIWWSXHTFABKY-QGZVFWFLSA-N 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1096211939 /nfs/dbraw/zinc/21/19/39/1096211939.db2.gz DNKNULNRSVMVQI-AWEZNQCLSA-N 1 3 335.517 2.464 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC001442911919 1097318969 /nfs/dbraw/zinc/31/89/69/1097318969.db2.gz WCFDJQPFHUIZEU-LPHOPBHVSA-N 1 3 329.488 2.452 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001442911919 1097318975 /nfs/dbraw/zinc/31/89/75/1097318975.db2.gz WCFDJQPFHUIZEU-LPHOPBHVSA-N 1 3 329.488 2.452 10 0 EEAEHO C[C@@H](CNC(=O)CC[NH+](C)C)CN[C@H](C)c1c(F)cccc1F ZINC001444394677 1098989785 /nfs/dbraw/zinc/98/97/85/1098989785.db2.gz ZMUFULBTEMDINN-CHWSQXEVSA-N 1 3 327.419 2.319 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cncs1 ZINC001479833491 1099115833 /nfs/dbraw/zinc/11/58/33/1099115833.db2.gz JTCCMBDPULUXLK-ZBFHGGJFSA-N 1 3 338.521 2.344 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](Cc1cccnc1)C1CC1 ZINC001479881315 1099251129 /nfs/dbraw/zinc/25/11/29/1099251129.db2.gz ZRPAUGGYPGJWBC-IBGZPJMESA-N 1 3 344.503 2.427 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](Cc1cccnc1)C1CC1 ZINC001479881315 1099251141 /nfs/dbraw/zinc/25/11/41/1099251141.db2.gz ZRPAUGGYPGJWBC-IBGZPJMESA-N 1 3 344.503 2.427 10 0 EEAEHO Cc1ncccc1C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCC1 ZINC001444531335 1099298573 /nfs/dbraw/zinc/29/85/73/1099298573.db2.gz BBCVTRYUDYKFTC-UHFFFAOYSA-N 1 3 332.492 2.249 10 0 EEAEHO CC(C)N(C)CC(=O)NC1CCC([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC001480411103 1100228807 /nfs/dbraw/zinc/22/88/07/1100228807.db2.gz GZBSUTHIKQXHNY-UHFFFAOYSA-N 1 3 348.491 2.409 10 0 EEAEHO Cc1cnc([C@H](C)[NH2+]CC[C@@H](C)NC(=O)CN(C)CC(C)(C)C)cn1 ZINC001445317044 1100551942 /nfs/dbraw/zinc/55/19/42/1100551942.db2.gz OHIAHCMPZKCQOK-ZBFHGGJFSA-N 1 3 349.523 2.308 10 0 EEAEHO Cc1ccncc1C[NH2+]C[C@@H](CC(C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001496290618 1100875127 /nfs/dbraw/zinc/87/51/27/1100875127.db2.gz YNQYMEGLPZLCAL-VQIMIIECSA-N 1 3 346.519 2.352 10 0 EEAEHO CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cnoc1C)N(C)C ZINC001496411986 1101004340 /nfs/dbraw/zinc/00/43/40/1101004340.db2.gz QPFZAJMIWQOAIR-SJORKVTESA-N 1 3 336.480 2.184 10 0 EEAEHO O=C(NCC1(NCc2cncs2)CCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001447248280 1102290710 /nfs/dbraw/zinc/29/07/10/1102290710.db2.gz RHSLQNPNVXIBEM-HOCLYGCPSA-N 1 3 348.516 2.289 10 0 EEAEHO O=C(NCC1(NCc2cncs2)CCC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001447248280 1102290730 /nfs/dbraw/zinc/29/07/30/1102290730.db2.gz RHSLQNPNVXIBEM-HOCLYGCPSA-N 1 3 348.516 2.289 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001497580815 1102695290 /nfs/dbraw/zinc/69/52/90/1102695290.db2.gz YIRFJTZUESUCAP-XDXAGZTOSA-N 1 3 330.476 2.025 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001497580815 1102695299 /nfs/dbraw/zinc/69/52/99/1102695299.db2.gz YIRFJTZUESUCAP-XDXAGZTOSA-N 1 3 330.476 2.025 10 0 EEAEHO CCCN(C)CC(=O)NC1CC(C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001447818227 1103382227 /nfs/dbraw/zinc/38/22/27/1103382227.db2.gz FFPAKMGKXBVJDI-UHFFFAOYSA-N 1 3 339.430 2.291 10 0 EEAEHO Cc1ncc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CN(C)C(C)C)C2)s1 ZINC001480709185 1106930750 /nfs/dbraw/zinc/93/07/50/1106930750.db2.gz JQIBIOMUWFWSGQ-LSDHHAIUSA-N 1 3 338.521 2.309 10 0 EEAEHO Cc1ccc(CN(C)C[C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1F ZINC001498284263 1107212864 /nfs/dbraw/zinc/21/28/64/1107212864.db2.gz UJTGMYQLRVSRKF-MAUKXSAKSA-N 1 3 347.478 2.412 10 0 EEAEHO CC[C@H](C(=O)N(C)CC[NH2+]C[C@H]1CCc2ccccc2C1)N(C)C ZINC001493764886 1108641093 /nfs/dbraw/zinc/64/10/93/1108641093.db2.gz ZMOBOXONPTVLCH-QFBILLFUSA-N 1 3 331.504 2.180 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)CCNCc1cccnc1)[NH+]1CCCCC1 ZINC001493806860 1108687262 /nfs/dbraw/zinc/68/72/62/1108687262.db2.gz QSQBTAKCXPQLFE-GOSISDBHSA-N 1 3 332.492 2.140 10 0 EEAEHO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)sn1 ZINC001479319399 1110680527 /nfs/dbraw/zinc/68/05/27/1110680527.db2.gz JIVLBQKRGFHSKT-IJEWVQPXSA-N 1 3 338.521 2.022 10 0 EEAEHO C[NH+](C)CCC(=O)NC[C@H]1C[C@@H](NCc2cc(F)ccc2Cl)C1 ZINC001479319428 1110680557 /nfs/dbraw/zinc/68/05/57/1110680557.db2.gz JROWEMOVRMDAAR-JNSHFYNHSA-N 1 3 341.858 2.415 10 0 EEAEHO COCc1ccc(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC001499248272 1112199679 /nfs/dbraw/zinc/19/96/79/1112199679.db2.gz FAUCCBYBERQDHY-UHFFFAOYSA-N 1 3 345.487 2.056 10 0 EEAEHO O=C(N[C@@H](CNCc1cncs1)C1CCCC1)C12CC[NH+](CC1)C2 ZINC001500122656 1112626953 /nfs/dbraw/zinc/62/69/53/1112626953.db2.gz IHPRICJQLCOKEE-INIZCTEOSA-N 1 3 348.516 2.004 10 0 EEAEHO C[NH+](C)CCCCC(=O)N1CC2(C1)CCN(Cc1ccccn1)CC2 ZINC001501746811 1113460258 /nfs/dbraw/zinc/46/02/58/1113460258.db2.gz RUCKYZYRFJLOPP-UHFFFAOYSA-N 1 3 344.503 2.238 10 0 EEAEHO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)cc1 ZINC001507296032 1115179324 /nfs/dbraw/zinc/17/93/24/1115179324.db2.gz GTPSMAWTUQHFHH-QAPCUYQASA-N 1 3 333.476 2.114 10 0 EEAEHO CC(C)COCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001507326980 1115193921 /nfs/dbraw/zinc/19/39/21/1115193921.db2.gz OFBKODRRBYFSRB-DLBZAZTESA-N 1 3 341.540 2.216 10 0 EEAEHO C[C@@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)CN1C(=O)Cc1c[nH]cn1 ZINC001507326876 1115194158 /nfs/dbraw/zinc/19/41/58/1115194158.db2.gz NSUIXTDZYUKCOW-RDTXWAMCSA-N 1 3 344.434 2.303 10 0 EEAEHO CC1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1NC/C=C/Cl ZINC001507453524 1115278663 /nfs/dbraw/zinc/27/86/63/1115278663.db2.gz JRNOLHGJONIQIB-VFADXPBXSA-N 1 3 327.900 2.442 10 0 EEAEHO Cc1ncccc1CN1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001508082175 1115415253 /nfs/dbraw/zinc/41/52/53/1115415253.db2.gz CXYBDAQYJLPLMM-INIZCTEOSA-N 1 3 332.492 2.058 10 0 EEAEHO CC(C)[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2cccnc2)C1)N(C)C ZINC001568068356 1124273530 /nfs/dbraw/zinc/27/35/30/1124273530.db2.gz VJCYQEAFLBZFMK-IEBWSBKVSA-N 1 3 346.519 2.386 10 0 EEAEHO Cc1nc(CNCC[C@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)s1 ZINC001568674502 1124687759 /nfs/dbraw/zinc/68/77/59/1124687759.db2.gz OUSBJCHJGGMQKD-LBPRGKRZSA-N 1 3 338.521 2.086 10 0 EEAEHO CCN(CCNCc1ccc(Cl)nc1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001568793670 1124806310 /nfs/dbraw/zinc/80/63/10/1124806310.db2.gz VDFXCYPBFLDFJS-INIZCTEOSA-N 1 3 340.899 2.259 10 0 EEAEHO CN(C)CCNC(=O)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183209828 539594498 /nfs/dbraw/zinc/59/44/98/539594498.db2.gz FVILRGNHQPRTNT-UHFFFAOYSA-N 1 3 340.471 2.125 10 0 EEAEHO COc1ccc([C@H](C[NH3+])N2CCCN(C)CC2)cc1Br ZINC000038052085 202093564 /nfs/dbraw/zinc/09/35/64/202093564.db2.gz VPOTXYOWNRHRRR-AWEZNQCLSA-N 1 3 342.281 2.095 10 0 EEAEHO C[C@@H](CNC(=O)c1ccccc1OCCN(C)C)C[NH+]1CCCC1 ZINC000125777144 201100883 /nfs/dbraw/zinc/10/08/83/201100883.db2.gz DDLOOGBIVBKQIG-INIZCTEOSA-N 1 3 333.476 2.089 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981847 239031708 /nfs/dbraw/zinc/03/17/08/239031708.db2.gz WNSAMVJHLJDRGL-GOSISDBHSA-N 1 3 326.444 2.440 10 0 EEAEHO CCOC(=O)C1([C@H](C)NCc2ccc(Cl)cn2)CC[NH2+]CC1 ZINC000423013181 240328682 /nfs/dbraw/zinc/32/86/82/240328682.db2.gz FJDKPGGPRGMOQS-LBPRGKRZSA-N 1 3 325.840 2.146 10 0 EEAEHO CN(C[C@H](O)CN1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000451909032 243306246 /nfs/dbraw/zinc/30/62/46/243306246.db2.gz ZHJSTJCYUAXNDY-KRWDZBQOSA-N 1 3 325.541 2.274 10 0 EEAEHO C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CCCN(C)CC1 ZINC000042952603 204185440 /nfs/dbraw/zinc/18/54/40/204185440.db2.gz POXRCGDJMKUMNK-SWLSCSKDSA-N 1 3 326.282 2.475 10 0 EEAEHO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H](CN(C)C)c2ccccc2)C1 ZINC000045185686 296389940 /nfs/dbraw/zinc/38/99/40/296389940.db2.gz UXPCSWYMGJCCAH-AEFFLSMTSA-N 1 3 332.492 2.320 10 0 EEAEHO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H](CN(C)C)c2ccccc2)C1 ZINC000045185686 296389942 /nfs/dbraw/zinc/38/99/42/296389942.db2.gz UXPCSWYMGJCCAH-AEFFLSMTSA-N 1 3 332.492 2.320 10 0 EEAEHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246050076 256014041 /nfs/dbraw/zinc/01/40/41/256014041.db2.gz VARMMNQTNDRHOE-HKUYNNGSSA-N 1 3 345.462 2.344 10 0 EEAEHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246050076 256014044 /nfs/dbraw/zinc/01/40/44/256014044.db2.gz VARMMNQTNDRHOE-HKUYNNGSSA-N 1 3 345.462 2.344 10 0 EEAEHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000270344054 256125516 /nfs/dbraw/zinc/12/55/16/256125516.db2.gz MBFFDJLEQYEZMA-GRGSLBFTSA-N 1 3 342.487 2.214 10 0 EEAEHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000270344054 256125518 /nfs/dbraw/zinc/12/55/18/256125518.db2.gz MBFFDJLEQYEZMA-GRGSLBFTSA-N 1 3 342.487 2.214 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2N(C)CCCC2(C)C)[C@H](C)C1 ZINC000448252764 285388110 /nfs/dbraw/zinc/38/81/10/285388110.db2.gz RPXSRKLUJMULFF-IKGGRYGDSA-N 1 3 338.540 2.479 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2N(C)CCCC2(C)C)[C@H](C)C1 ZINC000448252764 285388111 /nfs/dbraw/zinc/38/81/11/285388111.db2.gz RPXSRKLUJMULFF-IKGGRYGDSA-N 1 3 338.540 2.479 10 0 EEAEHO CCCCCCOCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000107578655 159333174 /nfs/dbraw/zinc/33/31/74/159333174.db2.gz HBWJNQVFWUMDGS-UHFFFAOYSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245657373 160246703 /nfs/dbraw/zinc/24/67/03/160246703.db2.gz DWWUYDPVNUZKII-WLRLJWMZSA-N 1 3 343.515 2.492 10 0 EEAEHO C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245657373 160246704 /nfs/dbraw/zinc/24/67/04/160246704.db2.gz DWWUYDPVNUZKII-WLRLJWMZSA-N 1 3 343.515 2.492 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)COCc2ccccc2F)[C@@H](C)C1 ZINC000246837044 160296461 /nfs/dbraw/zinc/29/64/61/160296461.db2.gz OMSBKAGHTVXTPS-WDYCEAGBSA-N 1 3 338.467 2.365 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)COCc2ccccc2F)[C@@H](C)C1 ZINC000246837044 160296463 /nfs/dbraw/zinc/29/64/63/160296463.db2.gz OMSBKAGHTVXTPS-WDYCEAGBSA-N 1 3 338.467 2.365 10 0 EEAEHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000247980006 160334632 /nfs/dbraw/zinc/33/46/32/160334632.db2.gz HHGKGKGWWNOGTN-BVBHFADKSA-N 1 3 344.503 2.413 10 0 EEAEHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000247980006 160334635 /nfs/dbraw/zinc/33/46/35/160334635.db2.gz HHGKGKGWWNOGTN-BVBHFADKSA-N 1 3 344.503 2.413 10 0 EEAEHO CC(C)C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)C(=O)NCCN(C)C ZINC000344931246 161257143 /nfs/dbraw/zinc/25/71/43/161257143.db2.gz QCROVXZFOPMTMA-QRVBRYPASA-N 1 3 331.504 2.472 10 0 EEAEHO C[C@@H](CCNC(=O)N1CC[C@H](N(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000175634161 278232730 /nfs/dbraw/zinc/23/27/30/278232730.db2.gz UWRYBMBDINOXEJ-WMZOPIPTSA-N 1 3 332.492 2.243 10 0 EEAEHO C[C@@H](CCNC(=O)N1CC[C@H](N(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175634161 278232731 /nfs/dbraw/zinc/23/27/31/278232731.db2.gz UWRYBMBDINOXEJ-WMZOPIPTSA-N 1 3 332.492 2.243 10 0 EEAEHO C[C@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248403985 278240035 /nfs/dbraw/zinc/24/00/35/278240035.db2.gz PIYQJZYAAOHQJJ-YQVWRLOYSA-N 1 3 346.519 2.295 10 0 EEAEHO C[C@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248403985 278240037 /nfs/dbraw/zinc/24/00/37/278240037.db2.gz PIYQJZYAAOHQJJ-YQVWRLOYSA-N 1 3 346.519 2.295 10 0 EEAEHO C[C@H]1CC[C@H](C)N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000176382035 278381208 /nfs/dbraw/zinc/38/12/08/278381208.db2.gz KTTYZEVHGKPECR-HOTGVXAUSA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000333830190 312203043 /nfs/dbraw/zinc/20/30/43/312203043.db2.gz SSAHTNXCIXKCLB-BBRMVZONSA-N 1 3 336.505 2.091 10 0 EEAEHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416792029 313317941 /nfs/dbraw/zinc/31/79/41/313317941.db2.gz XOEHNODCDZPIOO-MOPGFXCFSA-N 1 3 342.487 2.359 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000416839781 313331280 /nfs/dbraw/zinc/33/12/80/313331280.db2.gz KHKOVVMMKGLLBQ-GUDVDZBRSA-N 1 3 344.503 2.463 10 0 EEAEHO C[NH2+]C[C@H](C)CNC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000418398272 313803792 /nfs/dbraw/zinc/80/37/92/313803792.db2.gz WBWAKNDEDGKHPR-HNNXBMFYSA-N 1 3 326.529 2.384 10 0 EEAEHO C[C@@H]1CCC[C@H](CCNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000525437324 317058558 /nfs/dbraw/zinc/05/85/58/317058558.db2.gz JSEHSALTIFDOCR-IAGOWNOFSA-N 1 3 326.529 2.338 10 0 EEAEHO CCOC(=O)c1csc(CC[NH2+]C2CCN(CC3CC3)CC2)n1 ZINC000527293109 317180318 /nfs/dbraw/zinc/18/03/18/317180318.db2.gz NZUSAZFJRLYJCG-UHFFFAOYSA-N 1 3 337.489 2.326 10 0 EEAEHO CCc1nn(C)c(CC)c1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248555 317704309 /nfs/dbraw/zinc/70/43/09/317704309.db2.gz MJTALESBZNKPRJ-INIZCTEOSA-N 1 3 334.508 2.135 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000557135371 318670720 /nfs/dbraw/zinc/67/07/20/318670720.db2.gz AFRLHKZJQZMXOW-QLFBSQMISA-N 1 3 336.505 2.182 10 0 EEAEHO CCn1ccnc1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000563897458 319054033 /nfs/dbraw/zinc/05/40/33/319054033.db2.gz QOSVGTZUAJVGCQ-UHFFFAOYSA-N 1 3 333.480 2.038 10 0 EEAEHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000574450432 320026357 /nfs/dbraw/zinc/02/63/57/320026357.db2.gz OLIBWFSPGKODAH-BXWFABGCSA-N 1 3 332.492 2.466 10 0 EEAEHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000574548845 320035806 /nfs/dbraw/zinc/03/58/06/320035806.db2.gz NOHDBRODGQEHQV-DZJNRPSUSA-N 1 3 330.476 2.119 10 0 EEAEHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccccc1OCCN(C)C ZINC000574758827 320054474 /nfs/dbraw/zinc/05/44/74/320054474.db2.gz CGKQIYZZPMHJSD-INIZCTEOSA-N 1 3 347.503 2.429 10 0 EEAEHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000576940778 320217900 /nfs/dbraw/zinc/21/79/00/320217900.db2.gz CTPXZVVIAIJSIH-APWZRJJASA-N 1 3 344.503 2.232 10 0 EEAEHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000576940778 320217902 /nfs/dbraw/zinc/21/79/02/320217902.db2.gz CTPXZVVIAIJSIH-APWZRJJASA-N 1 3 344.503 2.232 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](N3CC=CC3)C2)C1 ZINC000131010447 462787975 /nfs/dbraw/zinc/78/79/75/462787975.db2.gz QRJYLXIXEDILSL-ROUUACIJSA-N 1 3 334.508 2.010 10 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UCTKWKNZJFZOIB-SXLOBPIMSA-N 1 3 331.504 2.207 10 0 EEAEHO CC[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000163276293 463578055 /nfs/dbraw/zinc/57/80/55/463578055.db2.gz UCTKWKNZJFZOIB-SXLOBPIMSA-N 1 3 331.504 2.207 10 0 EEAEHO CC[N@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000163276293 463578056 /nfs/dbraw/zinc/57/80/56/463578056.db2.gz UCTKWKNZJFZOIB-SXLOBPIMSA-N 1 3 331.504 2.207 10 0 EEAEHO O=C(NC1CCN(C2CC2)CC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107829487 463584888 /nfs/dbraw/zinc/58/48/88/463584888.db2.gz GMQFQNHRGJGYEX-SFHVURJKSA-N 1 3 334.508 2.273 10 0 EEAEHO CC(C)[NH+]1CCC(NC(=O)c2ccccc2OCCN(C)C)CC1 ZINC000193910375 463758290 /nfs/dbraw/zinc/75/82/90/463758290.db2.gz AUSQXTPMBNUQGQ-UHFFFAOYSA-N 1 3 333.476 2.230 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@H]1c1ccccc1 ZINC000270245518 464232417 /nfs/dbraw/zinc/23/24/17/464232417.db2.gz DKIMGZXGALSWPI-FCGDIQPGSA-N 1 3 342.487 2.358 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@H]1c1ccccc1 ZINC000270245518 464232423 /nfs/dbraw/zinc/23/24/23/464232423.db2.gz DKIMGZXGALSWPI-FCGDIQPGSA-N 1 3 342.487 2.358 10 0 EEAEHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000292541209 464266969 /nfs/dbraw/zinc/26/69/69/464266969.db2.gz QEJRFIJUMUJNSP-NXHRZFHOSA-N 1 3 332.492 2.460 10 0 EEAEHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000292541209 464266973 /nfs/dbraw/zinc/26/69/73/464266973.db2.gz QEJRFIJUMUJNSP-NXHRZFHOSA-N 1 3 332.492 2.460 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246565095 464600894 /nfs/dbraw/zinc/60/08/94/464600894.db2.gz ZEQGMXBZAYFTNN-XWTMOSNGSA-N 1 3 338.540 2.479 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246565095 464600901 /nfs/dbraw/zinc/60/09/01/464600901.db2.gz ZEQGMXBZAYFTNN-XWTMOSNGSA-N 1 3 338.540 2.479 10 0 EEAEHO C[C@H](Cn1cncn1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272425891 464602042 /nfs/dbraw/zinc/60/20/42/464602042.db2.gz OVCVPWXWADXNHE-OWYHZJEWSA-N 1 3 325.460 2.452 10 0 EEAEHO C[C@H](Cn1cncn1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272425891 464602048 /nfs/dbraw/zinc/60/20/48/464602048.db2.gz OVCVPWXWADXNHE-OWYHZJEWSA-N 1 3 325.460 2.452 10 0 EEAEHO CN1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1=O ZINC000183144321 464807926 /nfs/dbraw/zinc/80/79/26/464807926.db2.gz PGTCIPYPQLJCQV-ZGXWSNOMSA-N 1 3 341.499 2.498 10 0 EEAEHO CN1C[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1=O ZINC000183144321 464807934 /nfs/dbraw/zinc/80/79/34/464807934.db2.gz PGTCIPYPQLJCQV-ZGXWSNOMSA-N 1 3 341.499 2.498 10 0 EEAEHO CN1C[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1=O ZINC000183144321 464807940 /nfs/dbraw/zinc/80/79/40/464807940.db2.gz PGTCIPYPQLJCQV-ZGXWSNOMSA-N 1 3 341.499 2.498 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)CCC[NH+](C)C ZINC000248903958 464819272 /nfs/dbraw/zinc/81/92/72/464819272.db2.gz UQPLWDVLEFDOAK-SJLPKXTDSA-N 1 3 332.492 2.100 10 0 EEAEHO Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000371341417 465730457 /nfs/dbraw/zinc/73/04/57/465730457.db2.gz OAZPUIKRHRNJJV-NSISKUIASA-N 1 3 349.494 2.125 10 0 EEAEHO Cc1cc(F)ccc1[C@H](O)C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000371341417 465730463 /nfs/dbraw/zinc/73/04/63/465730463.db2.gz OAZPUIKRHRNJJV-NSISKUIASA-N 1 3 349.494 2.125 10 0 EEAEHO C[N@H+](CCNC(=O)CCN1CCc2ccccc2C1)C1CCCC1 ZINC000348909727 465868761 /nfs/dbraw/zinc/86/87/61/465868761.db2.gz JDRSKTMFDLNYDI-UHFFFAOYSA-N 1 3 329.488 2.425 10 0 EEAEHO C[N@@H+](CCNC(=O)CCN1CCc2ccccc2C1)C1CCCC1 ZINC000348909727 465868764 /nfs/dbraw/zinc/86/87/64/465868764.db2.gz JDRSKTMFDLNYDI-UHFFFAOYSA-N 1 3 329.488 2.425 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000340570913 466178683 /nfs/dbraw/zinc/17/86/83/466178683.db2.gz BPXHNWKFYZAWBY-SFHVURJKSA-N 1 3 333.476 2.118 10 0 EEAEHO CC1CC[NH+](CCCCNC(=O)N(C)[C@H]2CCN(C3CC3)C2)CC1 ZINC000349673325 466186399 /nfs/dbraw/zinc/18/63/99/466186399.db2.gz XBLIQJFDOBJCNB-SFHVURJKSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@@H]1CN(C)C[C@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000358001939 466379255 /nfs/dbraw/zinc/37/92/55/466379255.db2.gz FWDNUQOIPGALGJ-UYAOXDASSA-N 1 3 330.520 2.129 10 0 EEAEHO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367612803 466448048 /nfs/dbraw/zinc/44/80/48/466448048.db2.gz BBECGVUOGKRHNO-KZNAEPCWSA-N 1 3 336.501 2.443 10 0 EEAEHO CN(CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000363530647 466461344 /nfs/dbraw/zinc/46/13/44/466461344.db2.gz QZSYAZSGQNLSKH-QGZVFWFLSA-N 1 3 336.524 2.378 10 0 EEAEHO CC(C)C[C@H](N[C@H](C)c1ccc2c(c1)OCO2)C(=O)NCC[NH+](C)C ZINC000347193506 466466878 /nfs/dbraw/zinc/46/68/78/466466878.db2.gz IXQYEAWTHJOKON-ZBFHGGJFSA-N 1 3 349.475 2.158 10 0 EEAEHO CC[NH+]1CCC(CCNC(=O)N2CCCC23CCN(C)CC3)CC1 ZINC000368581880 466675857 /nfs/dbraw/zinc/67/58/57/466675857.db2.gz SUSHCXQJGNJMEU-UHFFFAOYSA-N 1 3 336.524 2.378 10 0 EEAEHO C[C@H]1CCCCN1CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411421785 466824670 /nfs/dbraw/zinc/82/46/70/466824670.db2.gz WECIOGRGGVFJGO-DOTOQJQBSA-N 1 3 339.549 2.195 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CCN3CCC2CC3)CC[N@@H+]1Cc1ccccc1 ZINC000377026201 467001236 /nfs/dbraw/zinc/00/12/36/467001236.db2.gz ACMMRSRSTWCYMG-VQIMIIECSA-N 1 3 342.487 2.139 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CCN3CCC2CC3)CC[N@H+]1Cc1ccccc1 ZINC000377026201 467001238 /nfs/dbraw/zinc/00/12/38/467001238.db2.gz ACMMRSRSTWCYMG-VQIMIIECSA-N 1 3 342.487 2.139 10 0 EEAEHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000377201952 467046898 /nfs/dbraw/zinc/04/68/98/467046898.db2.gz RBQAWWPNVHYVOS-MOPGFXCFSA-N 1 3 346.519 2.439 10 0 EEAEHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000377201952 467046904 /nfs/dbraw/zinc/04/69/04/467046904.db2.gz RBQAWWPNVHYVOS-MOPGFXCFSA-N 1 3 346.519 2.439 10 0 EEAEHO N[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000418425308 467108525 /nfs/dbraw/zinc/10/85/25/467108525.db2.gz HXBCUDXHYYCDOX-GOSISDBHSA-N 1 3 330.476 2.346 10 0 EEAEHO CCN(C(=O)NCC1C[NH2+]C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418489051 467118271 /nfs/dbraw/zinc/11/82/71/467118271.db2.gz NPGPPGUGALUKJV-CRAIPNDOSA-N 1 3 330.476 2.073 10 0 EEAEHO CCN(C(=O)NCC1C[NH2+]C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418489052 467118529 /nfs/dbraw/zinc/11/85/29/467118529.db2.gz NPGPPGUGALUKJV-MAUKXSAKSA-N 1 3 330.476 2.073 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000418564125 467129033 /nfs/dbraw/zinc/12/90/33/467129033.db2.gz WNNMWYYCQVUOET-ZHALLVOQSA-N 1 3 344.503 2.290 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000418587667 467132364 /nfs/dbraw/zinc/13/23/64/467132364.db2.gz GZRSJVQZFQVLPP-DAXOMENPSA-N 1 3 338.883 2.240 10 0 EEAEHO CCc1ccccc1[C@H](N)CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418658809 467142139 /nfs/dbraw/zinc/14/21/39/467142139.db2.gz WLUYGJBPKKOXIW-IXEWLPCDSA-N 1 3 330.476 2.173 10 0 EEAEHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414297755 467399438 /nfs/dbraw/zinc/39/94/38/467399438.db2.gz GNNNCPYUMZBPQS-YLJYHZDGSA-N 1 3 343.515 2.086 10 0 EEAEHO Cc1cc(CNCCC[NH2+]Cc2cccnc2)ccc1-n1cncn1 ZINC000414870722 467443308 /nfs/dbraw/zinc/44/33/08/467443308.db2.gz CQKDBLZWPWAKHC-UHFFFAOYSA-N 1 3 336.443 2.240 10 0 EEAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](O)COCC2CC2)CC1 ZINC000449114482 467618779 /nfs/dbraw/zinc/61/87/79/467618779.db2.gz CWGUQGPTEJTQLY-UWJYYQICSA-N 1 3 346.515 2.459 10 0 EEAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCC(=O)N(C)C2)CC1 ZINC000449155905 467621161 /nfs/dbraw/zinc/62/11/61/467621161.db2.gz CLABHWZTBILBEA-LPHOPBHVSA-N 1 3 329.488 2.292 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](O)C2CCC2)CC1 ZINC000449740838 467703658 /nfs/dbraw/zinc/70/36/58/467703658.db2.gz RDVVHVSZCLDJLN-HXUWFJFHSA-N 1 3 331.504 2.469 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)NCCOC(C)(C)C)CC2)CC1 ZINC000573134261 469068474 /nfs/dbraw/zinc/06/84/74/469068474.db2.gz DBWCWDYTHRWUOJ-UHFFFAOYSA-N 1 3 339.524 2.114 10 0 EEAEHO COC(=O)c1cccc(NC(=O)C[C@H](C)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000596108947 469159333 /nfs/dbraw/zinc/15/93/33/469159333.db2.gz QQWWXTVQCUZDRZ-XJKSGUPXSA-N 1 3 335.448 2.153 10 0 EEAEHO O=C(N[C@H]1CNCCC1(F)F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000563115140 469174057 /nfs/dbraw/zinc/17/40/57/469174057.db2.gz MJMHQUOQOKNTAA-HOTGVXAUSA-N 1 3 337.414 2.012 10 0 EEAEHO O=C(N[C@H]1CNCCC1(F)F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000563115140 469174064 /nfs/dbraw/zinc/17/40/64/469174064.db2.gz MJMHQUOQOKNTAA-HOTGVXAUSA-N 1 3 337.414 2.012 10 0 EEAEHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCCN(C)C1)Cc1ccccc1 ZINC000618555495 469388279 /nfs/dbraw/zinc/38/82/79/469388279.db2.gz ZRHZWZVYDCGFMK-OALUTQOASA-N 1 3 346.519 2.333 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCCC34CC4)CC2)CC1 ZINC000623564494 469695892 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331.504 2.424 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C ZINC000617506910 469706586 /nfs/dbraw/zinc/70/65/86/469706586.db2.gz CAVBVKDBDRDZHA-PBWTXFEYSA-N 1 3 331.504 2.424 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000626946499 469765126 /nfs/dbraw/zinc/76/51/26/469765126.db2.gz RDDSKIMSZGJKMG-XOYOTBSWSA-N 1 3 330.476 2.262 10 0 EEAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)N(C)C ZINC000627033416 469797444 /nfs/dbraw/zinc/79/74/44/469797444.db2.gz IZUPUCSEWWCTDV-CUSZFKRNSA-N 1 3 332.492 2.426 10 0 EEAEHO C[C@H]1CC[C@@H](NC(=O)N(CCN(C)C)Cc2ccccc2F)C[NH2+]1 ZINC000627195032 469840438 /nfs/dbraw/zinc/84/04/38/469840438.db2.gz IUNARJCDLRVRQT-GOEBONIOSA-N 1 3 336.455 2.039 10 0 EEAEHO CCN(C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000627242261 469854432 /nfs/dbraw/zinc/85/44/32/469854432.db2.gz PCVRUXVNQXLLIB-CGTJXYLNSA-N 1 3 330.476 2.043 10 0 EEAEHO 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Cn1c2ccccc2cc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1=O ZINC000653570498 471670000 /nfs/dbraw/zinc/67/00/00/471670000.db2.gz QTZQTRKEFCOIAN-SJLPKXTDSA-N 1 3 325.456 2.455 10 0 EEAEHO Cn1c2ccccc2cc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1=O ZINC000653570498 471670005 /nfs/dbraw/zinc/67/00/05/471670005.db2.gz QTZQTRKEFCOIAN-SJLPKXTDSA-N 1 3 325.456 2.455 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000664216770 471681550 /nfs/dbraw/zinc/68/15/50/471681550.db2.gz AQFNVYBXPPIGTH-HQRMLTQVSA-N 1 3 346.519 2.288 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000664216770 471681552 /nfs/dbraw/zinc/68/15/52/471681552.db2.gz AQFNVYBXPPIGTH-HQRMLTQVSA-N 1 3 346.519 2.288 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)CCC[C@H]1C ZINC000665758729 472173885 /nfs/dbraw/zinc/17/38/85/472173885.db2.gz NKEKIYPBBQPWTD-IXDOHACOSA-N 1 3 326.529 2.479 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)CCC[C@H]1C ZINC000665758729 472173890 /nfs/dbraw/zinc/17/38/90/472173890.db2.gz NKEKIYPBBQPWTD-IXDOHACOSA-N 1 3 326.529 2.479 10 0 EEAEHO CN(C(=O)N[C@@H]1CCCN(C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000673704004 485504508 /nfs/dbraw/zinc/50/45/08/485504508.db2.gz WNULKYRXWNSVEM-MOPGFXCFSA-N 1 3 344.503 2.387 10 0 EEAEHO CN(C(=O)N[C@@H]1CCCN(C)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673704004 485504511 /nfs/dbraw/zinc/50/45/11/485504511.db2.gz WNULKYRXWNSVEM-MOPGFXCFSA-N 1 3 344.503 2.387 10 0 EEAEHO CN(C(=O)N[C@@H]1CCCN(C)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000673704004 485504512 /nfs/dbraw/zinc/50/45/12/485504512.db2.gz WNULKYRXWNSVEM-MOPGFXCFSA-N 1 3 344.503 2.387 10 0 EEAEHO CC(C)N1CCC([NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)CC1 ZINC000680636792 486028508 /nfs/dbraw/zinc/02/85/08/486028508.db2.gz SGCDFNSYWLVKDZ-NRFANRHFSA-N 1 3 345.531 2.476 10 0 EEAEHO CC(C)[NH+]1CCC(N[C@@]2(CO)CCCN(Cc3ccccc3)C2)CC1 ZINC000680636792 486028516 /nfs/dbraw/zinc/02/85/16/486028516.db2.gz SGCDFNSYWLVKDZ-NRFANRHFSA-N 1 3 345.531 2.476 10 0 EEAEHO C[NH+](C)CCCNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000681783161 486328897 /nfs/dbraw/zinc/32/88/97/486328897.db2.gz VMJHNAUWUCCFAC-IBGZPJMESA-N 1 3 332.492 2.292 10 0 EEAEHO O=C(CCN1CCc2ccccc2C1)NCC1CC[NH+](C2CC2)CC1 ZINC000416219461 534415848 /nfs/dbraw/zinc/41/58/48/534415848.db2.gz HQZARKCTEKGHBG-UHFFFAOYSA-N 1 3 341.499 2.425 10 0 EEAEHO CC(C)N1CCN(CCC[NH+]2CCC(Cn3cccn3)CC2)CC1 ZINC000192735691 535200132 /nfs/dbraw/zinc/20/01/32/535200132.db2.gz YRUIIOUSLRHOKM-UHFFFAOYSA-N 1 3 333.524 2.011 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)N(C)CCC[NH+](C)C)cc2)CC1 ZINC000755473994 577825582 /nfs/dbraw/zinc/82/55/82/577825582.db2.gz QEEKUBYTSXOMLK-UHFFFAOYSA-N 1 3 347.507 2.244 10 0 EEAEHO CCN1CCC[C@@H]1CNC(=S)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000741492261 578120219 /nfs/dbraw/zinc/12/02/19/578120219.db2.gz QKNTUVQCUHKGCT-XHSDSOJGSA-N 1 3 326.554 2.007 10 0 EEAEHO CCN1CCC[C@@H]1CNC(=S)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000741492261 578120220 /nfs/dbraw/zinc/12/02/20/578120220.db2.gz 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1178186288 /nfs/dbraw/zinc/18/62/88/1178186288.db2.gz CBXZTZSYHRSQIV-QGZVFWFLSA-N 1 3 337.533 2.459 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCNCc2cnccc2C)C1 ZINC001267416486 1178989506 /nfs/dbraw/zinc/98/95/06/1178989506.db2.gz SIAOUFWTURFNCC-KRWDZBQOSA-N 1 3 332.492 2.060 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCNCc2cnccc2C)C1 ZINC001267416486 1178989510 /nfs/dbraw/zinc/98/95/10/1178989510.db2.gz SIAOUFWTURFNCC-KRWDZBQOSA-N 1 3 332.492 2.060 10 0 EEAEHO CC[C@@H](C(=O)N(C)CC[NH2+]CC[C@@H]1CCc2ccccc21)N(C)C ZINC001267430596 1179004579 /nfs/dbraw/zinc/00/45/79/1179004579.db2.gz RQDFIRFNKXXNDY-HKUYNNGSSA-N 1 3 331.504 2.495 10 0 EEAEHO CO[C@H](C[NH2+]CCN(C)C(=O)CN1CCC(C)CC1)c1ccccc1 ZINC001267444765 1179020379 /nfs/dbraw/zinc/02/03/79/1179020379.db2.gz NSEJRTYFDYTHKT-LJQANCHMSA-N 1 3 347.503 2.154 10 0 EEAEHO COCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001267772467 1180484501 /nfs/dbraw/zinc/48/45/01/1180484501.db2.gz DKAVDKRFYJDBLZ-MSOLQXFVSA-N 1 3 339.524 2.209 10 0 EEAEHO COCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001267772467 1180484503 /nfs/dbraw/zinc/48/45/03/1180484503.db2.gz DKAVDKRFYJDBLZ-MSOLQXFVSA-N 1 3 339.524 2.209 10 0 EEAEHO CCCN(C)CC(=O)N1CCC([C@@H](C)[NH2+]Cc2cnc(C)o2)CC1 ZINC001481340593 1181072044 /nfs/dbraw/zinc/07/20/44/1181072044.db2.gz SGXRHNLGOZJLEH-CQSZACIVSA-N 1 3 336.480 2.042 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ncccc1C ZINC001268425457 1182592314 /nfs/dbraw/zinc/59/23/14/1182592314.db2.gz GBBMYNLMLPNAHF-FUHWJXTLSA-N 1 3 332.492 2.249 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001482164583 1183489942 /nfs/dbraw/zinc/48/99/42/1183489942.db2.gz WEOLMWBHHWSADZ-JSGCOSHPSA-N 1 3 342.434 2.428 10 0 EEAEHO CCc1noc(C)c1CNCCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001268805346 1183725373 /nfs/dbraw/zinc/72/53/73/1183725373.db2.gz YMLWOFZPFAFLLN-UHFFFAOYSA-N 1 3 348.491 2.112 10 0 EEAEHO Cc1nsc(C)c1CNC1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001482227773 1184346490 /nfs/dbraw/zinc/34/64/90/1184346490.db2.gz BKFJPIXQOXUQSM-UHFFFAOYSA-N 1 3 338.521 2.230 10 0 EEAEHO C[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1CNCCF ZINC001271758856 1186464348 /nfs/dbraw/zinc/46/43/48/1186464348.db2.gz IAUKDNLLUYGMAZ-SJORKVTESA-N 1 3 327.488 2.439 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](NCc2ccccn2)C(C)C)C1 ZINC001482551030 1186658072 /nfs/dbraw/zinc/65/80/72/1186658072.db2.gz WDJCGVCWXVQGJK-MJGOQNOKSA-N 1 3 346.519 2.434 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](NCc2ccccn2)C(C)C)C1 ZINC001482551030 1186658077 /nfs/dbraw/zinc/65/80/77/1186658077.db2.gz WDJCGVCWXVQGJK-MJGOQNOKSA-N 1 3 346.519 2.434 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001482870785 1187790747 /nfs/dbraw/zinc/79/07/47/1187790747.db2.gz GWKBONKZYJQVNX-CVEARBPZSA-N 1 3 342.487 2.494 10 0 EEAEHO CCN(CC[NH2+][C@H](C)c1cccc(OC)c1)C(=O)CN1CCCC1 ZINC001482967444 1187904550 /nfs/dbraw/zinc/90/45/50/1187904550.db2.gz RIHCOANIIOUDLL-MRXNPFEDSA-N 1 3 333.476 2.290 10 0 EEAEHO Cc1cncc(CNC/C=C/CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)c1 ZINC001483025784 1188025883 /nfs/dbraw/zinc/02/58/83/1188025883.db2.gz YNVQSNFEZBSHCH-YQHFQFMOSA-N 1 3 342.487 2.169 10 0 EEAEHO Cc1cncc(CNC/C=C/CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)c1 ZINC001483025784 1188025886 /nfs/dbraw/zinc/02/58/86/1188025886.db2.gz YNVQSNFEZBSHCH-YQHFQFMOSA-N 1 3 342.487 2.169 10 0 EEAEHO CCc1ccc(CC[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)cc1 ZINC001483043093 1188196481 /nfs/dbraw/zinc/19/64/81/1188196481.db2.gz FNFURSVUYCNGAQ-PHWHVTFISA-N 1 3 329.488 2.148 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCOCC)C1 ZINC001691620673 1188321466 /nfs/dbraw/zinc/32/14/66/1188321466.db2.gz NRKWPYLMAYNAPM-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO Cc1nc(C)c(CNC/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C)s1 ZINC001483087924 1188450384 /nfs/dbraw/zinc/45/03/84/1188450384.db2.gz SKOITSVBCBSIHL-KXPUMZMLSA-N 1 3 338.521 2.108 10 0 EEAEHO CN(C)Cc1cccc(C(=O)NC/C=C/C[NH2+]C[C@H]2CCCOC2)c1 ZINC001483097671 1188472835 /nfs/dbraw/zinc/47/28/35/1188472835.db2.gz LAHPFRJQSYEGHB-OAJJDEHYSA-N 1 3 345.487 2.050 10 0 EEAEHO C[C@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)CN(C)C1CCC1 ZINC001272829482 1193567162 /nfs/dbraw/zinc/56/71/62/1193567162.db2.gz KFWLWRVPSMZQCI-CYBMUJFWSA-N 1 3 338.883 2.204 10 0 EEAEHO Cc1ncoc1CNCC1CC(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001409295566 1188609107 /nfs/dbraw/zinc/60/91/07/1188609107.db2.gz UXXOVGPHCOOIDZ-UHFFFAOYSA-N 1 3 348.491 2.234 10 0 EEAEHO C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001409343404 1189550300 /nfs/dbraw/zinc/55/03/00/1189550300.db2.gz BWRTXCYLTPJGAO-CABCVRRESA-N 1 3 345.487 2.184 10 0 EEAEHO Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001409348737 1189556370 /nfs/dbraw/zinc/55/63/70/1189556370.db2.gz FRCCTFHAIJWZGH-GJZGRUSLSA-N 1 3 349.523 2.240 10 0 EEAEHO CN1CCC(NC(=S)NC2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000905629402 1189808070 /nfs/dbraw/zinc/80/80/70/1189808070.db2.gz ZVIGRVVLCUEZBO-UHFFFAOYSA-N 1 3 338.565 2.342 10 0 EEAEHO C[C@@H](CN(C)[C@@H]1CCc2ccc(F)cc21)NC(=O)C12CC[NH+](CC1)C2 ZINC001483410885 1190456957 /nfs/dbraw/zinc/45/69/57/1190456957.db2.gz QQCZLFFMCCPIGQ-KBXCAEBGSA-N 1 3 345.462 2.345 10 0 EEAEHO Cc1ncc(CNCC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)o1 ZINC001272652186 1190961710 /nfs/dbraw/zinc/96/17/10/1190961710.db2.gz JWWPOAMQEYWSCJ-QGZVFWFLSA-N 1 3 348.491 2.187 10 0 EEAEHO CN(CC(=O)N1CCC[C@H]1C[NH2+]Cc1cncs1)CC(C)(C)C ZINC001483945331 1191126960 /nfs/dbraw/zinc/12/69/60/1191126960.db2.gz ULWYTBXYCXOQHL-AWEZNQCLSA-N 1 3 338.521 2.202 10 0 EEAEHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2cccnc2)C2CCCC2)CC[N@@H+]1C ZINC001484002291 1191151538 /nfs/dbraw/zinc/15/15/38/1191151538.db2.gz TZWMRFFSIWSZTH-LZQZEXGQSA-N 1 3 344.503 2.186 10 0 EEAEHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2cccnc2)C2CCCC2)CC[N@H+]1C ZINC001484002291 1191151540 /nfs/dbraw/zinc/15/15/40/1191151540.db2.gz TZWMRFFSIWSZTH-LZQZEXGQSA-N 1 3 344.503 2.186 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CC[C@H](C)F)CCC1(F)F ZINC001484197536 1191269025 /nfs/dbraw/zinc/26/90/25/1191269025.db2.gz ISBIIHORNBLUQF-UONOGXRCSA-N 1 3 337.430 2.148 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CC[C@H](C)F)CCC1(F)F ZINC001484197536 1191269026 /nfs/dbraw/zinc/26/90/26/1191269026.db2.gz ISBIIHORNBLUQF-UONOGXRCSA-N 1 3 337.430 2.148 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CC[C@@H](C)F)CCC1(F)F ZINC001484197537 1191269118 /nfs/dbraw/zinc/26/91/18/1191269118.db2.gz ISBIIHORNBLUQF-ZIAGYGMSSA-N 1 3 337.430 2.148 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CC[C@@H](C)F)CCC1(F)F ZINC001484197537 1191269120 /nfs/dbraw/zinc/26/91/20/1191269120.db2.gz ISBIIHORNBLUQF-ZIAGYGMSSA-N 1 3 337.430 2.148 10 0 EEAEHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(Cl)nc2)CCC1 ZINC001484659742 1191461200 /nfs/dbraw/zinc/46/12/00/1191461200.db2.gz QSNROVJFMKNWTN-UHFFFAOYSA-N 1 3 338.883 2.205 10 0 EEAEHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CC[C@H]2CCCO2)C(C)(C)C)CCC1 ZINC001486398169 1193898004 /nfs/dbraw/zinc/89/80/04/1193898004.db2.gz DHCGIEFOBQVIPW-CVEARBPZSA-N 1 3 339.524 2.160 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]C[C@H]1CCCCO1)C(C)(C)C ZINC001486425380 1193939834 /nfs/dbraw/zinc/93/98/34/1193939834.db2.gz ZGLKQGDWSUWKSD-CVEARBPZSA-N 1 3 327.513 2.016 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001410128138 1197559098 /nfs/dbraw/zinc/55/90/98/1197559098.db2.gz VAQLXJVFCCWTDL-DSLXNQLJSA-N 1 3 329.488 2.383 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001410128138 1197559101 /nfs/dbraw/zinc/55/91/01/1197559101.db2.gz VAQLXJVFCCWTDL-DSLXNQLJSA-N 1 3 329.488 2.383 10 0 EEAEHO CN(C(=O)CCC12CC(C1)C[NH2+]2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000870908066 1200945834 /nfs/dbraw/zinc/94/58/34/1200945834.db2.gz UETYKUFQUUTHMR-QPIRBTGLSA-N 1 3 327.472 2.252 10 0 EEAEHO Cc1ccc(CN2CCO[C@H](CN[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC000866558805 1201548238 /nfs/dbraw/zinc/54/82/38/1201548238.db2.gz VINYROXBWWOYIT-YSIASYRMSA-N 1 3 331.504 2.268 10 0 EEAEHO Cc1ccc(CN2CCO[C@H](CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC000866558805 1201548242 /nfs/dbraw/zinc/54/82/42/1201548242.db2.gz VINYROXBWWOYIT-YSIASYRMSA-N 1 3 331.504 2.268 10 0 EEAEHO CN(CC(C)(C)C[NH2+]CCF)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001275710007 1205493460 /nfs/dbraw/zinc/49/34/60/1205493460.db2.gz NXUCUIQHBPJVIN-QGZVFWFLSA-N 1 3 333.467 2.243 10 0 EEAEHO CN(CCCNCc1cc(C2CC2)no1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001276169177 1205811606 /nfs/dbraw/zinc/81/16/06/1205811606.db2.gz XWMNADSBKNECCE-UHFFFAOYSA-N 1 3 348.491 2.365 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000925326828 1206097739 /nfs/dbraw/zinc/09/77/39/1206097739.db2.gz NHIZITZWEFZXGI-SCTDSRPQSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000925326828 1206097742 /nfs/dbraw/zinc/09/77/42/1206097742.db2.gz NHIZITZWEFZXGI-SCTDSRPQSA-N 1 3 344.503 2.385 10 0 EEAEHO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCN(C)[C@@H]2C)c1 ZINC000925327509 1206097771 /nfs/dbraw/zinc/09/77/71/1206097771.db2.gz GCMIFKBRMVIDBG-AEFFLSMTSA-N 1 3 332.492 2.161 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CC[N@@H+]1C ZINC000925343657 1206100115 /nfs/dbraw/zinc/10/01/15/1206100115.db2.gz WPLKNFJUXIIWEQ-LMMKCTJWSA-N 1 3 344.503 2.243 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CC[N@H+]1C ZINC000925343657 1206100117 /nfs/dbraw/zinc/10/01/17/1206100117.db2.gz WPLKNFJUXIIWEQ-LMMKCTJWSA-N 1 3 344.503 2.243 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000925913060 1206167375 /nfs/dbraw/zinc/16/73/75/1206167375.db2.gz OKIUBOMSXMXJBI-CVEARBPZSA-N 1 3 345.491 2.077 10 0 EEAEHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000926224296 1206205613 /nfs/dbraw/zinc/20/56/13/1206205613.db2.gz MFWGRNAUCWPSPP-SJPCQFCGSA-N 1 3 335.492 2.483 10 0 EEAEHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000926224296 1206205614 /nfs/dbraw/zinc/20/56/14/1206205614.db2.gz MFWGRNAUCWPSPP-SJPCQFCGSA-N 1 3 335.492 2.483 10 0 EEAEHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000926224296 1206205616 /nfs/dbraw/zinc/20/56/16/1206205616.db2.gz MFWGRNAUCWPSPP-SJPCQFCGSA-N 1 3 335.492 2.483 10 0 EEAEHO CNc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Cl)c1 ZINC001413268473 1235110373 /nfs/dbraw/zinc/11/03/73/1235110373.db2.gz WGPYOADLRVYXKP-ZDUSSCGKSA-N 1 3 340.899 2.384 10 0 EEAEHO CNc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Cl)c1 ZINC001413268473 1235110377 /nfs/dbraw/zinc/11/03/77/1235110377.db2.gz WGPYOADLRVYXKP-ZDUSSCGKSA-N 1 3 340.899 2.384 10 0 EEAEHO CCN(Cc1ccc2c(c1)OCO2)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903876145 1242275747 /nfs/dbraw/zinc/27/57/47/1242275747.db2.gz DMOBHVMBCODWLO-MRXNPFEDSA-N 1 3 344.459 2.097 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CN[C@H]2c3ccccc3NC2(C)C)cnn1C ZINC000903947541 1242659112 /nfs/dbraw/zinc/65/91/12/1242659112.db2.gz AFJKQNBWKRQSLP-KSSFIOAISA-N 1 3 327.476 2.381 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NC[C@H](C)C[NH+]2CCCC2)cc(Cl)n1 ZINC000827366081 1247956735 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C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccnc(Cl)c1 ZINC000855345971 1293183967 /nfs/dbraw/zinc/18/39/67/1293183967.db2.gz LPBXGLGOWXPGNT-UZYOAWRESA-N 1 3 338.883 2.136 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CC[C@@H]1CC1(Cl)Cl ZINC000855345808 1293184504 /nfs/dbraw/zinc/18/45/04/1293184504.db2.gz XRWALSYAZOBLEH-QWHCGFSZSA-N 1 3 338.323 2.349 10 0 EEAEHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCn3ccnc3)C2)ccn1 ZINC000856604382 1293579934 /nfs/dbraw/zinc/57/99/34/1293579934.db2.gz WDOWTDNLLCYCGW-LJQANCHMSA-N 1 3 343.475 2.272 10 0 EEAEHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCn3ccnc3)C2)ccn1 ZINC000856604382 1293579938 /nfs/dbraw/zinc/57/99/38/1293579938.db2.gz WDOWTDNLLCYCGW-LJQANCHMSA-N 1 3 343.475 2.272 10 0 EEAEHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CCCc2ccccc2)C1 ZINC001279208960 1301726239 /nfs/dbraw/zinc/72/62/39/1301726239.db2.gz MOKHMCNPQCTWGN-ACBHZAAOSA-N 1 3 329.488 2.292 10 0 EEAEHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001277938162 1305199539 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Cc1ncccc1C[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001265164327 1322958843 /nfs/dbraw/zinc/95/88/43/1322958843.db2.gz DIOSZWYQRSPPOU-UHFFFAOYSA-N 1 3 344.503 2.345 10 0 EEAEHO Cc1ncccc1C[N@H+](CCCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001265164327 1322958845 /nfs/dbraw/zinc/95/88/45/1322958845.db2.gz DIOSZWYQRSPPOU-UHFFFAOYSA-N 1 3 344.503 2.345 10 0 EEAEHO CN(CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)Cc1cccnc1 ZINC001265872131 1323445105 /nfs/dbraw/zinc/44/51/05/1323445105.db2.gz PFYDOAIQHWDDKP-MSOLQXFVSA-N 1 3 330.476 2.037 10 0 EEAEHO CN(CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)Cc1cccnc1 ZINC001265872131 1323445108 /nfs/dbraw/zinc/44/51/08/1323445108.db2.gz PFYDOAIQHWDDKP-MSOLQXFVSA-N 1 3 330.476 2.037 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H](C)c1cnccn1 ZINC001266042689 1323592635 /nfs/dbraw/zinc/59/26/35/1323592635.db2.gz LPRQRWSHVXMWAN-SJLPKXTDSA-N 1 3 347.507 2.239 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H](C)c1cnccn1 ZINC001266042689 1323592639 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CCOCCN(C)CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C(C)C ZINC001284553452 1326608530 /nfs/dbraw/zinc/60/85/30/1326608530.db2.gz LZFQDHHWCZGAEC-ZWKOTPCHSA-N 1 3 339.524 2.209 10 0 EEAEHO CCOCCN(C)CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C(C)C ZINC001284553452 1326608533 /nfs/dbraw/zinc/60/85/33/1326608533.db2.gz LZFQDHHWCZGAEC-ZWKOTPCHSA-N 1 3 339.524 2.209 10 0 EEAEHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001492128749 1330981615 /nfs/dbraw/zinc/98/16/15/1330981615.db2.gz DOPQHIGRTWFFCE-CYBMUJFWSA-N 1 3 326.872 2.060 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001317126368 1332088249 /nfs/dbraw/zinc/08/82/49/1332088249.db2.gz UDNQLSCZMFDNDO-TXEJJXNPSA-N 1 3 332.370 2.230 10 0 EEAEHO CCOCCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001318413274 1332528242 /nfs/dbraw/zinc/52/82/42/1332528242.db2.gz NGWLRYRIAFJZCH-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO CCOCCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001318413274 1332528243 /nfs/dbraw/zinc/52/82/43/1332528243.db2.gz NGWLRYRIAFJZCH-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1ncc(CNCC[C@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)o1 ZINC001318831848 1332606735 /nfs/dbraw/zinc/60/67/35/1332606735.db2.gz YMVAVXCJFTXQCD-NVXWUHKLSA-N 1 3 348.491 2.043 10 0 EEAEHO Cc1ncc(CNCC[C@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)o1 ZINC001318831848 1332606741 /nfs/dbraw/zinc/60/67/41/1332606741.db2.gz YMVAVXCJFTXQCD-NVXWUHKLSA-N 1 3 348.491 2.043 10 0 EEAEHO CCc1nocc1CNCC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319789694 1332768381 /nfs/dbraw/zinc/76/83/81/1332768381.db2.gz AGPUTEBHRKKVJF-WBVHZDCISA-N 1 3 348.491 2.050 10 0 EEAEHO CCc1nocc1CNCC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001319789694 1332768383 /nfs/dbraw/zinc/76/83/83/1332768383.db2.gz AGPUTEBHRKKVJF-WBVHZDCISA-N 1 3 348.491 2.050 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC(F)(F)C1 ZINC001320643960 1332927895 /nfs/dbraw/zinc/92/78/95/1332927895.db2.gz ICKJQHMHXYOADD-HIFRSBDPSA-N 1 3 331.451 2.391 10 0 EEAEHO CCN(CC[NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)[C@H]1CCCCN1CC ZINC001320928655 1332980852 /nfs/dbraw/zinc/98/08/52/1332980852.db2.gz LEEVBIAORPKNLG-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO CCN(CCNCc1cccnc1C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001320928107 1332981020 /nfs/dbraw/zinc/98/10/20/1332981020.db2.gz GFFPQNSUQCGHDT-IYBDPMFKSA-N 1 3 332.492 2.201 10 0 EEAEHO CCN(CCNCc1cccnc1C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001320928107 1332981022 /nfs/dbraw/zinc/98/10/22/1332981022.db2.gz GFFPQNSUQCGHDT-IYBDPMFKSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1cc(F)ccc1C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)N(C)C ZINC001321107324 1333020972 /nfs/dbraw/zinc/02/09/72/1333020972.db2.gz NIOHDDNPBJZRAW-MJRGOJFPSA-N 1 3 335.467 2.482 10 0 EEAEHO Cc1cc(C)c(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCN2C)c(C)c1 ZINC001321187237 1333040001 /nfs/dbraw/zinc/04/00/01/1333040001.db2.gz AQYXYFBZERDQNG-ZMBJWTFHSA-N 1 3 329.488 2.468 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCCN[C@H](C)c2cnccn2)C1 ZINC001322658097 1333302292 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CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001328080105 1334391283 /nfs/dbraw/zinc/39/12/83/1334391283.db2.gz GGOVMDBLODKFAF-IRXDYDNUSA-N 1 3 341.540 2.216 10 0 EEAEHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001328080105 1334391284 /nfs/dbraw/zinc/39/12/84/1334391284.db2.gz GGOVMDBLODKFAF-IRXDYDNUSA-N 1 3 341.540 2.216 10 0 EEAEHO COCCCC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001500293722 1342140764 /nfs/dbraw/zinc/14/07/64/1342140764.db2.gz ZQSWLIAKOQZGHP-FQEVSTJZSA-N 1 3 347.503 2.369 10 0 EEAEHO COCCCC[N@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001500293722 1342140769 /nfs/dbraw/zinc/14/07/69/1342140769.db2.gz ZQSWLIAKOQZGHP-FQEVSTJZSA-N 1 3 347.503 2.369 10 0 EEAEHO CC1CCN(CC(=O)N2CC[C@@](C)(C[NH2+]C/C=C\Cl)C2)CC1 ZINC001671794859 1356416462 /nfs/dbraw/zinc/41/64/62/1356416462.db2.gz HHWUZHRVEGESBT-KNYPUDEUSA-N 1 3 327.900 2.299 10 0 EEAEHO CCC1([NH2+]CCOC2CCC2)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001502503053 1342199810 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EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC[C@@H]3CC3(Cl)Cl)C2)CCC1 ZINC001661434873 1354638307 /nfs/dbraw/zinc/63/83/07/1354638307.db2.gz BXASGGBXZVZKOH-JHJVBQTASA-N 1 3 348.318 2.291 10 0 EEAEHO CCOCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001661861279 1354711833 /nfs/dbraw/zinc/71/18/33/1354711833.db2.gz KPKUCRXDEUSGJX-MSOLQXFVSA-N 1 3 339.524 2.257 10 0 EEAEHO CCOCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001661861279 1354711835 /nfs/dbraw/zinc/71/18/35/1354711835.db2.gz KPKUCRXDEUSGJX-MSOLQXFVSA-N 1 3 339.524 2.257 10 0 EEAEHO C[NH+](C)CCc1ccc(C(=O)NC2(CNCCF)CCCC2)cc1 ZINC001665948057 1355414106 /nfs/dbraw/zinc/41/41/06/1355414106.db2.gz HLKZTCMEMYPGMJ-UHFFFAOYSA-N 1 3 335.467 2.392 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@](C)(C[NH2+]CC[C@H]1CCCCO1)C1CC1 ZINC001666037874 1355429754 /nfs/dbraw/zinc/42/97/54/1355429754.db2.gz NVLHBXGRGHMTTB-VQIMIIECSA-N 1 3 348.491 2.094 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCc1ccc(C[NH2+]CC[C@H](C)F)cc1 ZINC001666347189 1355514930 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EEAEHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CCc2cccs2)C1)N(C)C ZINC001672897695 1356610269 /nfs/dbraw/zinc/61/02/69/1356610269.db2.gz VDFWXIYRAFPXFX-DOTOQJQBSA-N 1 3 337.533 2.459 10 0 EEAEHO C[C@@H](CCCNCc1cc(C2CC2)no1)NC(=O)C1CC[NH+](C)CC1 ZINC001675966693 1357079225 /nfs/dbraw/zinc/07/92/25/1357079225.db2.gz VYAULUGMOJMGID-AWEZNQCLSA-N 1 3 348.491 2.268 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](C[C@@H]1CCCCO1)C(C)C ZINC001691760171 1358343373 /nfs/dbraw/zinc/34/33/73/1358343373.db2.gz MIIHDOLGQNFYQT-INIZCTEOSA-N 1 3 336.480 2.046 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](C[C@@H]1CCCCO1)C(C)C ZINC001691760171 1358343376 /nfs/dbraw/zinc/34/33/76/1358343376.db2.gz MIIHDOLGQNFYQT-INIZCTEOSA-N 1 3 336.480 2.046 10 0 EEAEHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000930113399 770539999 /nfs/dbraw/zinc/53/99/99/770539999.db2.gz LOBCXQWRAATZEF-LSDHHAIUSA-N 1 3 337.430 2.054 10 0 EEAEHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000930113399 770540007 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UACATTRCWOQABL-RFUYNDQBSA-N 1 3 348.491 2.088 10 0 EEAEHO C[C@@H](CNCc1cncs1)NC(=O)c1ccccc1CC[NH+](C)C ZINC001445595762 1091387967 /nfs/dbraw/zinc/38/79/67/1091387967.db2.gz XZWBAKZQSJBHRU-AWEZNQCLSA-N 1 3 346.500 2.155 10 0 EEAEHO COc1cccc([C@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001439248866 1091897879 /nfs/dbraw/zinc/89/78/79/1091897879.db2.gz FHGRJBDLXHSEBH-RLFYNMQTSA-N 1 3 335.492 2.437 10 0 EEAEHO C[C@@H](CNCc1cccc(Cl)c1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001439251319 1091901239 /nfs/dbraw/zinc/90/12/39/1091901239.db2.gz FAWKTOOHPBCZBC-STQMWFEESA-N 1 3 341.858 2.415 10 0 EEAEHO C[C@@H](CNCc1cccc(Cl)c1F)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001439251319 1091901245 /nfs/dbraw/zinc/90/12/45/1091901245.db2.gz FAWKTOOHPBCZBC-STQMWFEESA-N 1 3 341.858 2.415 10 0 EEAEHO C[C@@H](CN[C@@H]1CCc2c1cc(F)cc2F)NC(=O)CCC[NH+](C)C ZINC001439253046 1091903196 /nfs/dbraw/zinc/90/31/96/1091903196.db2.gz AXGRKGSRGUGJGY-YVEFUNNKSA-N 1 3 339.430 2.388 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(C)c(F)c1)C1CC1)N(C)C ZINC001439485372 1092293651 /nfs/dbraw/zinc/29/36/51/1092293651.db2.gz PGUICNOIGRIZFA-QZTJIDSGSA-N 1 3 335.467 2.459 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@](C)(CNC/C(Cl)=C\Cl)C2)C1 ZINC001439908722 1092976270 /nfs/dbraw/zinc/97/62/70/1092976270.db2.gz ZTKVQSWBJGRRMF-DPXMASKKSA-N 1 3 348.318 2.475 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@](C)(CNC/C(Cl)=C\Cl)C2)C1 ZINC001439908722 1092976276 /nfs/dbraw/zinc/97/62/76/1092976276.db2.gz ZTKVQSWBJGRRMF-DPXMASKKSA-N 1 3 348.318 2.475 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001440243375 1093334412 /nfs/dbraw/zinc/33/44/12/1093334412.db2.gz ARJWLJLRTKBIAD-LSDHHAIUSA-N 1 3 331.451 2.296 10 0 EEAEHO CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001440243375 1093334404 /nfs/dbraw/zinc/33/44/04/1093334404.db2.gz ARJWLJLRTKBIAD-LSDHHAIUSA-N 1 3 331.451 2.296 10 0 EEAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCC(F)(F)F)CCC1 ZINC001440357379 1093514146 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/nfs/dbraw/zinc/06/39/15/317063915.db2.gz CFXRLDLXEKIZLO-NEWSRXKRSA-N 1 3 344.503 2.235 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC[N@H+]1C ZINC000525620638 317063918 /nfs/dbraw/zinc/06/39/18/317063918.db2.gz CFXRLDLXEKIZLO-NEWSRXKRSA-N 1 3 344.503 2.235 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000561125626 318825517 /nfs/dbraw/zinc/82/55/17/318825517.db2.gz MYXZFZYIZBAGBJ-KBAYOESNSA-N 1 3 330.476 2.121 10 0 EEAEHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCc2ccccc2[C@H]1CN ZINC000576224793 320152229 /nfs/dbraw/zinc/15/22/29/320152229.db2.gz CJWVGNKCCJXLJK-MAUKXSAKSA-N 1 3 332.492 2.375 10 0 EEAEHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCc2ccccc2[C@H]1CN ZINC000576224793 320152230 /nfs/dbraw/zinc/15/22/30/320152230.db2.gz CJWVGNKCCJXLJK-MAUKXSAKSA-N 1 3 332.492 2.375 10 0 EEAEHO Cc1ccc(NC(=O)N(C)CCC[NH+](C)C)c(OCCN(C)C)c1 ZINC000182990827 323394899 /nfs/dbraw/zinc/39/48/99/323394899.db2.gz IMXCVSBCCDCSQI-UHFFFAOYSA-N 1 3 336.480 2.351 10 0 EEAEHO C[C@]1(CNC(=O)N2CCC[C@H](C[NH3+])C2)CCCN1Cc1ccccc1 ZINC000581478532 324261624 /nfs/dbraw/zinc/26/16/24/324261624.db2.gz VZZATBQBZGYHSR-UYAOXDASSA-N 1 3 344.503 2.421 10 0 EEAEHO C[C@]1(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCCN1Cc1ccccc1 ZINC000581933274 324343966 /nfs/dbraw/zinc/34/39/66/324343966.db2.gz GEWHVMGSWXXOON-QWFCFKBJSA-N 1 3 344.503 2.468 10 0 EEAEHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000582170709 324394266 /nfs/dbraw/zinc/39/42/66/324394266.db2.gz LKWHERPBQIIVME-QFBILLFUSA-N 1 3 344.503 2.470 10 0 EEAEHO CN(C)CCOC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000358724425 465286000 /nfs/dbraw/zinc/28/60/00/465286000.db2.gz OWDCDPNVDLCKJX-UHFFFAOYSA-N 1 3 339.524 2.068 10 0 EEAEHO CC1CC[NH+](CCCNC(=O)c2ccccc2OCCN(C)C)CC1 ZINC000060760305 462565247 /nfs/dbraw/zinc/56/52/47/462565247.db2.gz IMFISVXXVYONSS-UHFFFAOYSA-N 1 3 347.503 2.479 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+](C)C[C@H](C)C(=O)NC)CC1 ZINC000093899112 463051996 /nfs/dbraw/zinc/05/19/96/463051996.db2.gz ZDOGFKKWJPXTRX-KRWDZBQOSA-N 1 3 346.519 2.033 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+](C)C[C@H](C)C(=O)NC)CC1 ZINC000093899112 463052001 /nfs/dbraw/zinc/05/20/01/463052001.db2.gz ZDOGFKKWJPXTRX-KRWDZBQOSA-N 1 3 346.519 2.033 10 0 EEAEHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171807159 463928731 /nfs/dbraw/zinc/92/87/31/463928731.db2.gz RSZVQBNFGDAGDA-IBGZPJMESA-N 1 3 342.487 2.141 10 0 EEAEHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171807159 463928738 /nfs/dbraw/zinc/92/87/38/463928738.db2.gz RSZVQBNFGDAGDA-IBGZPJMESA-N 1 3 342.487 2.141 10 0 EEAEHO COc1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)ccc1O ZINC000180117642 464246247 /nfs/dbraw/zinc/24/62/47/464246247.db2.gz CZPDLSXZRIYTFP-UHFFFAOYSA-N 1 3 333.476 2.049 10 0 EEAEHO COc1ccc([C@H]2[C@H](CNC(=O)C3CC[NH2+]CC3)CCCN2C)cc1 ZINC000237384428 464311852 /nfs/dbraw/zinc/31/18/52/464311852.db2.gz FDFHIIMQVFKPLH-HKUYNNGSSA-N 1 3 345.487 2.194 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000371137662 465613360 /nfs/dbraw/zinc/61/33/60/465613360.db2.gz BZMRWDHHNXRTNK-CRAIPNDOSA-N 1 3 342.487 2.205 10 0 EEAEHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000349819590 466256816 /nfs/dbraw/zinc/25/68/16/466256816.db2.gz JOHIYEDHUMRIRI-NVXWUHKLSA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000349819590 466256828 /nfs/dbraw/zinc/25/68/28/466256828.db2.gz JOHIYEDHUMRIRI-NVXWUHKLSA-N 1 3 336.524 2.375 10 0 EEAEHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCN2CCC1CC2 ZINC000367416694 466322958 /nfs/dbraw/zinc/32/29/58/466322958.db2.gz XUFFEEDBZJQODD-GOSISDBHSA-N 1 3 342.487 2.141 10 0 EEAEHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CC[NH+]2CCC1CC2 ZINC000367416694 466322965 /nfs/dbraw/zinc/32/29/65/466322965.db2.gz XUFFEEDBZJQODD-GOSISDBHSA-N 1 3 342.487 2.141 10 0 EEAEHO C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000368428986 466633803 /nfs/dbraw/zinc/63/38/03/466633803.db2.gz KFXUJLVUYSTMKI-LORHWOILSA-N 1 3 345.487 2.287 10 0 EEAEHO CC[NH2+]CC1CCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000417203810 466801105 /nfs/dbraw/zinc/80/11/05/466801105.db2.gz ZIYNLGKCLSDOQP-IBGZPJMESA-N 1 3 346.519 2.190 10 0 EEAEHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417656894 466901212 /nfs/dbraw/zinc/90/12/12/466901212.db2.gz VMTAHAJDIRITIW-OALUTQOASA-N 1 3 342.487 2.187 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000531446162 468053490 /nfs/dbraw/zinc/05/34/90/468053490.db2.gz UKADRLNPFLXFHP-RDJZCZTQSA-N 1 3 330.476 2.205 10 0 EEAEHO COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000595014539 468743875 /nfs/dbraw/zinc/74/38/75/468743875.db2.gz BAQHPSDKUKVKGQ-JKSUJKDBSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)(C)OC(=O)CCCC[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000595862358 469051032 /nfs/dbraw/zinc/05/10/32/469051032.db2.gz AUGBCRUEOSAFOY-MRXNPFEDSA-N 1 3 326.481 2.029 10 0 EEAEHO C[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)N(C)Cc1ccccc1 ZINC000562800618 469076206 /nfs/dbraw/zinc/07/62/06/469076206.db2.gz KMXSOFZIGJHBEP-PXNSSMCTSA-N 1 3 344.503 2.292 10 0 EEAEHO C[NH2+]CCOCCN[C@@H]1CCc2c1cc(Br)cc2F ZINC000629529116 469573346 /nfs/dbraw/zinc/57/33/46/469573346.db2.gz RXVQUPFYDRWTCK-CQSZACIVSA-N 1 3 331.229 2.401 10 0 EEAEHO CC(C)([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1nc2ccccc2s1 ZINC000629650654 469599049 /nfs/dbraw/zinc/59/90/49/469599049.db2.gz ZLPDZQAPNZVXMG-CYBMUJFWSA-N 1 3 346.500 2.318 10 0 EEAEHO CN1CC[C@@H]([NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623428916 469654015 /nfs/dbraw/zinc/65/40/15/469654015.db2.gz DXDBWUQUYQDPEB-QUCCMNQESA-N 1 3 331.504 2.086 10 0 EEAEHO CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000607241298 469677242 /nfs/dbraw/zinc/67/72/42/469677242.db2.gz IEZUGURGUISNLC-DLBZAZTESA-N 1 3 326.529 2.336 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nc2ccccc2s1 ZINC000617506797 469705910 /nfs/dbraw/zinc/70/59/10/469705910.db2.gz ZJDDDWLPMHNHNT-ZDUSSCGKSA-N 1 3 334.489 2.298 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nc2ccccc2s1 ZINC000617506797 469705912 /nfs/dbraw/zinc/70/59/12/469705912.db2.gz ZJDDDWLPMHNHNT-ZDUSSCGKSA-N 1 3 334.489 2.298 10 0 EEAEHO C[C@H](CNC(=O)NC[C@H]1CCN1C1CCCC1)C[NH+]1CCCCC1 ZINC000623715046 469742749 /nfs/dbraw/zinc/74/27/49/469742749.db2.gz RKTHFKMOVDZMDE-SJLPKXTDSA-N 1 3 336.524 2.425 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C[NH2+]1 ZINC000627199907 469841340 /nfs/dbraw/zinc/84/13/40/469841340.db2.gz FZGAFFYZFHQITF-NJAFHUGGSA-N 1 3 330.476 2.043 10 0 EEAEHO C[C@](O)(C[C@H](O)CNCc1ccccc1C[NH+]1CCCC1)C1CC1 ZINC000634698095 470280711 /nfs/dbraw/zinc/28/07/11/470280711.db2.gz AFSBHGMZZALZLB-PMACEKPBSA-N 1 3 332.488 2.284 10 0 EEAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000649102254 470463115 /nfs/dbraw/zinc/46/31/15/470463115.db2.gz ZMEVXMWTUNGQEQ-RWQQGDIJSA-N 1 3 329.488 2.321 10 0 EEAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000649102254 470463117 /nfs/dbraw/zinc/46/31/17/470463117.db2.gz ZMEVXMWTUNGQEQ-RWQQGDIJSA-N 1 3 329.488 2.321 10 0 EEAEHO C[C@@H]1CCN(C(=O)NCCC2(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000652239945 471260603 /nfs/dbraw/zinc/26/06/03/471260603.db2.gz JXPWWDUAPFZMAG-QGZVFWFLSA-N 1 3 344.503 2.421 10 0 EEAEHO CCN1CCN(c2cccc(NC(=O)NCCC3(C[NH3+])CC3)c2)CC1 ZINC000652596042 471311797 /nfs/dbraw/zinc/31/17/97/471311797.db2.gz NYSMXEPBKCRFBT-UHFFFAOYSA-N 1 3 345.491 2.079 10 0 EEAEHO CN(c1ccccc1CN1CC[C@@H](F)[C@H](N)C1)C1CC[NH+](C)CC1 ZINC000663505185 471404020 /nfs/dbraw/zinc/40/40/20/471404020.db2.gz HVFIKJXIXYKWMS-QZTJIDSGSA-N 1 3 334.483 2.088 10 0 EEAEHO CN(CCN1CCCCC1)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000652990969 471442518 /nfs/dbraw/zinc/44/25/18/471442518.db2.gz KVTFHQZYRRPEPE-UHFFFAOYSA-N 1 3 329.488 2.379 10 0 EEAEHO CN(CCN1CCCCC1)C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000652990969 471442520 /nfs/dbraw/zinc/44/25/20/471442520.db2.gz KVTFHQZYRRPEPE-UHFFFAOYSA-N 1 3 329.488 2.379 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@]1(C)CC1(F)F ZINC000666600774 471461095 /nfs/dbraw/zinc/46/10/95/471461095.db2.gz KZLSFQHQIFQLMO-GOEBONIOSA-N 1 3 346.466 2.089 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@]1(C)CC1(F)F ZINC000666600774 471461099 /nfs/dbraw/zinc/46/10/99/471461099.db2.gz KZLSFQHQIFQLMO-GOEBONIOSA-N 1 3 346.466 2.089 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CNCc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000655827318 471496884 /nfs/dbraw/zinc/49/68/84/471496884.db2.gz RPDMTKUUJHZHMJ-VDISTLRHSA-N 1 3 337.830 2.490 10 0 EEAEHO CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCN(CC)C1 ZINC000664151309 471656708 /nfs/dbraw/zinc/65/67/08/471656708.db2.gz IIFHJFGFCXMGEO-JKSUJKDBSA-N 1 3 326.529 2.479 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc2n(n1)CCCC2 ZINC000656261149 471657260 /nfs/dbraw/zinc/65/72/60/471657260.db2.gz CVAPVYRKONJEII-LJQANCHMSA-N 1 3 333.524 2.067 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc2n(n1)CCCC2 ZINC000656261149 471657264 /nfs/dbraw/zinc/65/72/64/471657264.db2.gz CVAPVYRKONJEII-LJQANCHMSA-N 1 3 333.524 2.067 10 0 EEAEHO CN(C)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000661396806 471741260 /nfs/dbraw/zinc/74/12/60/471741260.db2.gz MHIYRRJLPDOXFP-SJORKVTESA-N 1 3 332.492 2.461 10 0 EEAEHO CN(C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000661396806 471741263 /nfs/dbraw/zinc/74/12/63/471741263.db2.gz MHIYRRJLPDOXFP-SJORKVTESA-N 1 3 332.492 2.461 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1CCC(F)(F)CC1 ZINC000664826364 471872430 /nfs/dbraw/zinc/87/24/30/471872430.db2.gz XTVMYOJNCRDYLQ-AWEZNQCLSA-N 1 3 348.482 2.383 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1CCC(F)(F)CC1 ZINC000664826364 471872434 /nfs/dbraw/zinc/87/24/34/471872434.db2.gz XTVMYOJNCRDYLQ-AWEZNQCLSA-N 1 3 348.482 2.383 10 0 EEAEHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667789600 471905461 /nfs/dbraw/zinc/90/54/61/471905461.db2.gz SWTJWYIXSRGWFM-LEWJYISDSA-N 1 3 343.515 2.481 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)[C@@H]1CCCO1 ZINC000667811438 471916967 /nfs/dbraw/zinc/91/69/67/471916967.db2.gz MGCQDQHDIQBAJU-KURKYZTESA-N 1 3 339.524 2.066 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)[C@@H]1CCCO1 ZINC000667811438 471916969 /nfs/dbraw/zinc/91/69/69/471916969.db2.gz MGCQDQHDIQBAJU-KURKYZTESA-N 1 3 339.524 2.066 10 0 EEAEHO CN(c1ccccc1CN1CC[C@@]2(O)C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000668598180 472189481 /nfs/dbraw/zinc/18/94/81/472189481.db2.gz JECJQGMLLOJCBV-FXAWDEMLSA-N 1 3 329.488 2.174 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000665638942 485613824 /nfs/dbraw/zinc/61/38/24/485613824.db2.gz HIKAFWRBLWONGQ-YESZJQIVSA-N 1 3 326.529 2.479 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000665638942 485613831 /nfs/dbraw/zinc/61/38/31/485613831.db2.gz HIKAFWRBLWONGQ-YESZJQIVSA-N 1 3 326.529 2.479 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000310278488 485632546 /nfs/dbraw/zinc/63/25/46/485632546.db2.gz KFELOPIEVXHZBY-CZUORRHYSA-N 1 3 343.393 2.165 10 0 EEAEHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000675180181 485921733 /nfs/dbraw/zinc/92/17/33/485921733.db2.gz DVYTYQJEJZBBLO-MOPGFXCFSA-N 1 3 346.519 2.333 10 0 EEAEHO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000673186805 486289924 /nfs/dbraw/zinc/28/99/24/486289924.db2.gz WLOZHOXUZIEWEC-IRXDYDNUSA-N 1 3 332.492 2.243 10 0 EEAEHO Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)CCCO2 ZINC000128071912 490667557 /nfs/dbraw/zinc/66/75/57/490667557.db2.gz RJFYPWGTFOXWFW-FUHWJXTLSA-N 1 3 345.487 2.386 10 0 EEAEHO CC[NH+](CC)Cc1cccc(CN[C@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000422691902 535609042 /nfs/dbraw/zinc/60/90/42/535609042.db2.gz JCNBGVMZJNMSKR-VQTJNVASSA-N 1 3 331.504 2.385 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000758273467 577620663 /nfs/dbraw/zinc/62/06/63/577620663.db2.gz NLYFUBGGTFNYJR-KZNAEPCWSA-N 1 3 346.544 2.380 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000758273467 577620664 /nfs/dbraw/zinc/62/06/64/577620664.db2.gz NLYFUBGGTFNYJR-KZNAEPCWSA-N 1 3 346.544 2.380 10 0 EEAEHO CCN1CCC[C@H]1CNC(=S)NC1CCC(C[NH+](C)C)CC1 ZINC000749736972 577980960 /nfs/dbraw/zinc/98/09/60/577980960.db2.gz SWBMTKPXFGUZET-GPANFISMSA-N 1 3 326.554 2.055 10 0 EEAEHO C[C@H]1[C@@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[N@@H+]1C ZINC000914181880 683340372 /nfs/dbraw/zinc/34/03/72/683340372.db2.gz ANDRROBKMOUJDL-YJBOKZPZSA-N 1 3 344.503 2.215 10 0 EEAEHO C[C@H]1[C@@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[N@H+]1C ZINC000914181880 683340377 /nfs/dbraw/zinc/34/03/77/683340377.db2.gz ANDRROBKMOUJDL-YJBOKZPZSA-N 1 3 344.503 2.215 10 0 EEAEHO C[C@H]1[C@@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CCN1C ZINC000925314075 691641119 /nfs/dbraw/zinc/64/11/19/691641119.db2.gz CRORNDGGSOIVQQ-WMZOPIPTSA-N 1 3 336.524 2.377 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H]1CN(CCCF)CC1(C)C)[NH+]1CCCC1 ZINC001485588510 1191858440 /nfs/dbraw/zinc/85/84/40/1191858440.db2.gz ZHPODYJDMFOUPK-JKSUJKDBSA-N 1 3 327.488 2.293 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H]1C[N@H+](CCCF)CC1(C)C)N1CCCC1 ZINC001485588510 1191858441 /nfs/dbraw/zinc/85/84/41/1191858441.db2.gz ZHPODYJDMFOUPK-JKSUJKDBSA-N 1 3 327.488 2.293 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H]1C[N@@H+](CCCF)CC1(C)C)N1CCCC1 ZINC001485588510 1191858443 /nfs/dbraw/zinc/85/84/43/1191858443.db2.gz ZHPODYJDMFOUPK-JKSUJKDBSA-N 1 3 327.488 2.293 10 0 EEAEHO Cc1nc(C)c(CNCCC[C@H](C)NC(=O)C2CC[NH+](C)CC2)o1 ZINC001485735424 1191914598 /nfs/dbraw/zinc/91/45/98/1191914598.db2.gz IUUBREFENAAQGN-ZDUSSCGKSA-N 1 3 336.480 2.008 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)C[C@H]2CCO[C@H](C)C2)CC1 ZINC001485768038 1191942259 /nfs/dbraw/zinc/94/22/59/1191942259.db2.gz XRVSTWNAZSPAAS-SJORKVTESA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)C[C@H]2CCO[C@H](C)C2)CC1 ZINC001485768038 1191942261 /nfs/dbraw/zinc/94/22/61/1191942261.db2.gz XRVSTWNAZSPAAS-SJORKVTESA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1cnccn1 ZINC001485784993 1191951465 /nfs/dbraw/zinc/95/14/65/1191951465.db2.gz KEWREMOJKDATOI-JKSUJKDBSA-N 1 3 347.507 2.142 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+]C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001267920650 1180767080 /nfs/dbraw/zinc/76/70/80/1180767080.db2.gz BHNMVFSAGSWJNF-AEFFLSMTSA-N 1 3 339.524 2.112 10 0 EEAEHO CCOCCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001481539557 1181680663 /nfs/dbraw/zinc/68/06/63/1181680663.db2.gz YCTKOIYUAHZRQJ-IBGZPJMESA-N 1 3 347.503 2.369 10 0 EEAEHO CCOCCC[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001481539557 1181680667 /nfs/dbraw/zinc/68/06/67/1181680667.db2.gz YCTKOIYUAHZRQJ-IBGZPJMESA-N 1 3 347.503 2.369 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1cccs1)N(C)C ZINC001268114952 1181759478 /nfs/dbraw/zinc/75/94/78/1181759478.db2.gz VLFLAXRCUYTKQH-GOEBONIOSA-N 1 3 325.522 2.313 10 0 EEAEHO CCN(CC[NH2+]C[C@@H]1CCc2ccccc2C1)C(=O)[C@H]1CCCN1C ZINC001268439379 1182614823 /nfs/dbraw/zinc/61/48/23/1182614823.db2.gz OKYNGGCUXIDPNF-YLJYHZDGSA-N 1 3 343.515 2.324 10 0 EEAEHO CCN(CCNCc1cc(F)cc(F)c1)C(=O)C1(C[NH+](C)C)CC1 ZINC001268473209 1182863023 /nfs/dbraw/zinc/86/30/23/1182863023.db2.gz CNEQPGUPZGPFSI-UHFFFAOYSA-N 1 3 339.430 2.245 10 0 EEAEHO CCN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)Cc1c[nH]cn1 ZINC001268483459 1182941731 /nfs/dbraw/zinc/94/17/31/1182941731.db2.gz GZKSMTYFIGFXAA-ZDUSSCGKSA-N 1 3 328.407 2.216 10 0 EEAEHO C[C@H](NC/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccc(F)cc1 ZINC001268538702 1183199673 /nfs/dbraw/zinc/19/96/73/1183199673.db2.gz MGIZIYNIDXRSJP-HMSPERNYSA-N 1 3 345.462 2.491 10 0 EEAEHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/CNCc1cccnc1 ZINC001268596230 1183443392 /nfs/dbraw/zinc/44/33/92/1183443392.db2.gz MGVMAAONEHPZQQ-WRFKIARRSA-N 1 3 330.476 2.107 10 0 EEAEHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC/C=C/CNCc1cccnc1 ZINC001268596230 1183443398 /nfs/dbraw/zinc/44/33/98/1183443398.db2.gz MGVMAAONEHPZQQ-WRFKIARRSA-N 1 3 330.476 2.107 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H](CC[NH2+]Cc2cncc(C)c2)C1 ZINC001269791477 1184624845 /nfs/dbraw/zinc/62/48/45/1184624845.db2.gz QKRHUFUFBJLHPU-GOSISDBHSA-N 1 3 346.519 2.450 10 0 EEAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CCc1ccccc1 ZINC001270478618 1185121287 /nfs/dbraw/zinc/12/12/87/1185121287.db2.gz SRMULYQTIDQPGV-QGZVFWFLSA-N 1 3 331.504 2.445 10 0 EEAEHO C[C@@H](CCNCc1nccs1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482876860 1187796076 /nfs/dbraw/zinc/79/60/76/1187796076.db2.gz LMSMHSPQUDBKBP-GJZGRUSLSA-N 1 3 338.521 2.392 10 0 EEAEHO COCCCC[NH2+][C@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001691620838 1188321485 /nfs/dbraw/zinc/32/14/85/1188321485.db2.gz PCCSYMDGJLRBNA-KRWDZBQOSA-N 1 3 339.524 2.258 10 0 EEAEHO Cc1cc(CN[C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)sn1 ZINC001485874545 1193626861 /nfs/dbraw/zinc/62/68/61/1193626861.db2.gz ZIZQHHPGFAPILJ-HOCLYGCPSA-N 1 3 338.521 2.261 10 0 EEAEHO Cc1cc(CN[C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)sn1 ZINC001485874545 1193626862 /nfs/dbraw/zinc/62/68/62/1193626862.db2.gz ZIZQHHPGFAPILJ-HOCLYGCPSA-N 1 3 338.521 2.261 10 0 EEAEHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001485881529 1193628152 /nfs/dbraw/zinc/62/81/52/1193628152.db2.gz HUNAIHFZOQLKQV-UONOGXRCSA-N 1 3 331.451 2.343 10 0 EEAEHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C)c(C)n1 ZINC001483266366 1190291394 /nfs/dbraw/zinc/29/13/94/1190291394.db2.gz JDQLLSYBMMTHLL-HNNXBMFYSA-N 1 3 334.508 2.271 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cc(C)ns1 ZINC001483512051 1190525261 /nfs/dbraw/zinc/52/52/61/1190525261.db2.gz NOAIAIUTSSIZLV-INIZCTEOSA-N 1 3 338.521 2.264 10 0 EEAEHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]Cc1cc(C)no1 ZINC001483620632 1190602606 /nfs/dbraw/zinc/60/26/06/1190602606.db2.gz AHFFUZHGMCTNLB-RDJZCZTQSA-N 1 3 336.480 2.040 10 0 EEAEHO C[NH+](C)CCC(=O)N1CC[C@@H](CCNCc2c(F)cccc2F)C1 ZINC001272553842 1190876420 /nfs/dbraw/zinc/87/64/20/1190876420.db2.gz BUQLZOXOZFKPMX-CQSZACIVSA-N 1 3 339.430 2.245 10 0 EEAEHO Cc1ncccc1C[NH2+]C[C@]1(C)CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001484116103 1191218160 /nfs/dbraw/zinc/21/81/60/1191218160.db2.gz VUDJJILGGANTNO-JXFKEZNVSA-N 1 3 344.503 2.060 10 0 EEAEHO Cc1nocc1CNCC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001484535138 1191399221 /nfs/dbraw/zinc/39/92/21/1191399221.db2.gz GRNUMKZHWIRMHN-XIRDDKMYSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1nocc1CNCC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001484535138 1191399223 /nfs/dbraw/zinc/39/92/23/1191399223.db2.gz GRNUMKZHWIRMHN-XIRDDKMYSA-N 1 3 348.491 2.042 10 0 EEAEHO CC[C@H](F)C[NH2+]C1(C)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001484925122 1191572999 /nfs/dbraw/zinc/57/29/99/1191572999.db2.gz AICURGUCNIASOU-INIZCTEOSA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1ncsc1C[NH2+]C1(C)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001484928688 1191574537 /nfs/dbraw/zinc/57/45/37/1191574537.db2.gz ZADAFMFHEWAQQO-UHFFFAOYSA-N 1 3 338.521 2.262 10 0 EEAEHO CN(CCc1ccccc1F)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001485070194 1191637396 /nfs/dbraw/zinc/63/73/96/1191637396.db2.gz WPXORLGPYPUYIV-QGZVFWFLSA-N 1 3 335.467 2.243 10 0 EEAEHO Cc1cccnc1C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001486425327 1193939744 /nfs/dbraw/zinc/93/97/44/1193939744.db2.gz YJNQHWFVVJEAML-QGZVFWFLSA-N 1 3 334.508 2.351 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(F)ccc1F)N(C)C ZINC001273122949 1194405392 /nfs/dbraw/zinc/40/53/92/1194405392.db2.gz KJDKTKXDAYQYLI-MLGOLLRUSA-N 1 3 327.419 2.289 10 0 EEAEHO Cc1ncc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]3C2)o1 ZINC001410189568 1197594109 /nfs/dbraw/zinc/59/41/09/1197594109.db2.gz PQADBYRVKZTSGM-BBWFWOEESA-N 1 3 348.491 2.040 10 0 EEAEHO Cc1ncc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]3C2)o1 ZINC001410189568 1197594110 /nfs/dbraw/zinc/59/41/10/1197594110.db2.gz PQADBYRVKZTSGM-BBWFWOEESA-N 1 3 348.491 2.040 10 0 EEAEHO CCCN(C)CC(=O)N1CCC([N@H+](C)C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001410256042 1197639250 /nfs/dbraw/zinc/63/92/50/1197639250.db2.gz XPHLQSGBUZADPT-IRXDYDNUSA-N 1 3 339.524 2.066 10 0 EEAEHO CCCN(C)CC(=O)N1CCC([N@@H+](C)C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001410256042 1197639253 /nfs/dbraw/zinc/63/92/53/1197639253.db2.gz XPHLQSGBUZADPT-IRXDYDNUSA-N 1 3 339.524 2.066 10 0 EEAEHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2csc3ccccc23)C1 ZINC000866708388 1201585799 /nfs/dbraw/zinc/58/57/99/1201585799.db2.gz DVBYHXHMKFCZOX-CWRNSKLLSA-N 1 3 343.452 2.268 10 0 EEAEHO CC[C@@H](c1ccc(F)cc1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714025 1201587578 /nfs/dbraw/zinc/58/75/78/1201587578.db2.gz DIDQDFURFKYRCJ-NXOAAHMSSA-N 1 3 333.407 2.144 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001274028037 1204333732 /nfs/dbraw/zinc/33/37/32/1204333732.db2.gz ZHXCJWXRZUJKJR-XDXAGZTOSA-N 1 3 330.476 2.025 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001274028037 1204333735 /nfs/dbraw/zinc/33/37/35/1204333735.db2.gz ZHXCJWXRZUJKJR-XDXAGZTOSA-N 1 3 330.476 2.025 10 0 EEAEHO CC(C)OCCC[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001274375158 1205013475 /nfs/dbraw/zinc/01/34/75/1205013475.db2.gz JKGFIOABVVWIJJ-QGZVFWFLSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001280681997 1205048770 /nfs/dbraw/zinc/04/87/70/1205048770.db2.gz MCRNGKPMJOZZJF-SFHVURJKSA-N 1 3 339.524 2.114 10 0 EEAEHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000924551362 1205995302 /nfs/dbraw/zinc/99/53/02/1205995302.db2.gz VKDDTUMNSUSFNT-NNXNONAVSA-N 1 3 347.478 2.129 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CCN1C ZINC000925326514 1206097552 /nfs/dbraw/zinc/09/75/52/1206097552.db2.gz MEXHQQAZHIISCO-VQIMIIECSA-N 1 3 344.503 2.385 10 0 EEAEHO O=C(CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)NCc1ccccc1 ZINC000925541566 1206125224 /nfs/dbraw/zinc/12/52/24/1206125224.db2.gz BPBGIVLSDUKARK-MOPGFXCFSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@H](C[NH2+][C@H]1C[C@H](N)C12CCC2)N1CCN(c2ccccc2)CC1 ZINC000925546863 1206126073 /nfs/dbraw/zinc/12/60/73/1206126073.db2.gz QMXWHBFSHBAZLA-NEWSRXKRSA-N 1 3 328.504 2.057 10 0 EEAEHO C[C@@H]1CN(c2ccc(CN[C@@H]3C[C@H]([NH3+])CC(C)(C)C3)cn2)CCO1 ZINC000925552363 1206127179 /nfs/dbraw/zinc/12/71/79/1206127179.db2.gz IZFDZZYNSZVVRO-HYVNUMGLSA-N 1 3 332.492 2.302 10 0 EEAEHO C[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000925843411 1206159199 /nfs/dbraw/zinc/15/91/99/1206159199.db2.gz NHZJSHCHDMCTKM-CWJKEVGVSA-N 1 3 343.515 2.398 10 0 EEAEHO C[C@@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccnnc1 ZINC000926591272 1206230043 /nfs/dbraw/zinc/23/00/43/1206230043.db2.gz JVZGXQNTOCRFPB-MRXNPFEDSA-N 1 3 326.444 2.154 10 0 EEAEHO C[C@@H](C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)N1CCCCCC1 ZINC000928834437 1206425918 /nfs/dbraw/zinc/42/59/18/1206425918.db2.gz GTCGEPDEPAHUSN-WMZOPIPTSA-N 1 3 332.492 2.455 10 0 EEAEHO Cc1ccc([C@H](O)CN2CCC(O)(C[NH+]3CCCCC3)CC2)cc1 ZINC001413073692 1231805204 /nfs/dbraw/zinc/80/52/04/1231805204.db2.gz CUZZOZSQJLOBCA-LJQANCHMSA-N 1 3 332.488 2.341 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NCC[N@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000827076536 1249791040 /nfs/dbraw/zinc/79/10/40/1249791040.db2.gz ROPITQBPBXPKPW-ZFWWWQNUSA-N 1 3 338.883 2.424 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000827076536 1249791045 /nfs/dbraw/zinc/79/10/45/1249791045.db2.gz ROPITQBPBXPKPW-ZFWWWQNUSA-N 1 3 338.883 2.424 10 0 EEAEHO C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCCN1Cc1cccnc1 ZINC001491281828 1258888315 /nfs/dbraw/zinc/88/83/15/1258888315.db2.gz LQESOUGRCACHNT-RBUKOAKNSA-N 1 3 344.503 2.379 10 0 EEAEHO CC[N@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C[C@@H](C)OC ZINC001490346663 1291166249 /nfs/dbraw/zinc/16/62/49/1291166249.db2.gz IQSIBLFEBYZANX-CRAIPNDOSA-N 1 3 345.503 2.062 10 0 EEAEHO CC[N@@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C[C@@H](C)OC ZINC001490346663 1291166255 /nfs/dbraw/zinc/16/62/55/1291166255.db2.gz IQSIBLFEBYZANX-CRAIPNDOSA-N 1 3 345.503 2.062 10 0 EEAEHO CC[N@H+](CCCNC(=O)C(C)(C)N1CCCCC1)C[C@H]1CCOC1 ZINC001490325747 1291218159 /nfs/dbraw/zinc/21/81/59/1291218159.db2.gz WTGGVIYKWJIDBY-QGZVFWFLSA-N 1 3 339.524 2.116 10 0 EEAEHO CC[N@@H+](CCCNC(=O)C(C)(C)N1CCCCC1)C[C@H]1CCOC1 ZINC001490325747 1291218171 /nfs/dbraw/zinc/21/81/71/1291218171.db2.gz WTGGVIYKWJIDBY-QGZVFWFLSA-N 1 3 339.524 2.116 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001490605481 1291515272 /nfs/dbraw/zinc/51/52/72/1291515272.db2.gz FQXOMWBULZSUMH-BOSPYUDASA-N 1 3 327.900 2.442 10 0 EEAEHO Cn1nccc1[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000927137826 1297032726 /nfs/dbraw/zinc/03/27/26/1297032726.db2.gz YBFJDAMFXYTQGQ-GNBUJSLZSA-N 1 3 340.471 2.239 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CCOCC1 ZINC001277186589 1301720756 /nfs/dbraw/zinc/72/07/56/1301720756.db2.gz IICXMZFNJHINRE-AEFFLSMTSA-N 1 3 339.524 2.160 10 0 EEAEHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]CC[C@H]2CCCCO2)CCC1 ZINC001277866800 1304975384 /nfs/dbraw/zinc/97/53/84/1304975384.db2.gz YTDJJBSKPVWGNC-DLBZAZTESA-N 1 3 337.508 2.011 10 0 EEAEHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCOC1CCCCCC1 ZINC001277945495 1305229866 /nfs/dbraw/zinc/22/98/66/1305229866.db2.gz BWPSGVDVDNTAGE-OAHLLOKOSA-N 1 3 336.480 2.128 10 0 EEAEHO COCCCN(C(=O)[C@H]1CCC[N@@H+](C(C)C)C1)C1CCN(C)CC1 ZINC001141799313 1315316968 /nfs/dbraw/zinc/31/69/68/1315316968.db2.gz IDVKSIIDAWSYRZ-KRWDZBQOSA-N 1 3 339.524 2.066 10 0 EEAEHO COCCCN(C(=O)[C@H]1CCC[N@H+](C(C)C)C1)C1CCN(C)CC1 ZINC001141799313 1315316971 /nfs/dbraw/zinc/31/69/71/1315316971.db2.gz IDVKSIIDAWSYRZ-KRWDZBQOSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1ncc(CN[C@H](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001279039409 1319064535 /nfs/dbraw/zinc/06/45/35/1319064535.db2.gz VOLQYQIAPREBHV-ZBFHGGJFSA-N 1 3 336.480 2.042 10 0 EEAEHO CCOCC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001264121918 1322634014 /nfs/dbraw/zinc/63/40/14/1322634014.db2.gz CDHSIFJJUFSKBP-QGZVFWFLSA-N 1 3 341.540 2.362 10 0 EEAEHO C[C@@H]1CC[C@@H](C[N@H+](C)CCCNC(=O)c2cccc(CN(C)C)c2)O1 ZINC001265072692 1322906905 /nfs/dbraw/zinc/90/69/05/1322906905.db2.gz CBJUIPOOOWWLQO-APWZRJJASA-N 1 3 347.503 2.367 10 0 EEAEHO C[C@@H]1CC[C@@H](C[N@@H+](C)CCCNC(=O)c2cccc(CN(C)C)c2)O1 ZINC001265072692 1322906909 /nfs/dbraw/zinc/90/69/09/1322906909.db2.gz CBJUIPOOOWWLQO-APWZRJJASA-N 1 3 347.503 2.367 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001265619621 1323272792 /nfs/dbraw/zinc/27/27/92/1323272792.db2.gz QDEQMJMCPMJSGD-QWHCGFSZSA-N 1 3 334.291 2.228 10 0 EEAEHO CN(CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)Cc1cccnc1 ZINC001265872132 1323444851 /nfs/dbraw/zinc/44/48/51/1323444851.db2.gz PFYDOAIQHWDDKP-QZTJIDSGSA-N 1 3 330.476 2.037 10 0 EEAEHO CN(CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)Cc1cccnc1 ZINC001265872132 1323444855 /nfs/dbraw/zinc/44/48/55/1323444855.db2.gz PFYDOAIQHWDDKP-QZTJIDSGSA-N 1 3 330.476 2.037 10 0 EEAEHO CCOCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001266120413 1323691946 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CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001280758482 1324485089 /nfs/dbraw/zinc/48/50/89/1324485089.db2.gz AMUYYXUNDYDZDJ-ZWKOTPCHSA-N 1 3 339.524 2.258 10 0 EEAEHO CC(C)COCC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001283325887 1326011804 /nfs/dbraw/zinc/01/18/04/1326011804.db2.gz UWCFPDNUXRKALL-GOSISDBHSA-N 1 3 341.540 2.168 10 0 EEAEHO CC(C)COCC[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001283325887 1326011806 /nfs/dbraw/zinc/01/18/06/1326011806.db2.gz UWCFPDNUXRKALL-GOSISDBHSA-N 1 3 341.540 2.168 10 0 EEAEHO Cc1cccc(CCC[NH2+][C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001491579461 1330172036 /nfs/dbraw/zinc/17/20/36/1330172036.db2.gz LJOHZCWLZVTWOT-MSOLQXFVSA-N 1 3 331.504 2.364 10 0 EEAEHO CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)C[C@H]1OCC ZINC001316693498 1331384550 /nfs/dbraw/zinc/38/45/50/1331384550.db2.gz RFGPMWJODICHTM-RCCFBDPRSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1nsc(C)c1CN[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001317067137 1332067736 /nfs/dbraw/zinc/06/77/36/1332067736.db2.gz OFZWFTRTFMNDAK-HNNXBMFYSA-N 1 3 338.521 2.182 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+]CCCc2ccccc2C)C1 ZINC001317126299 1332088430 /nfs/dbraw/zinc/08/84/30/1332088430.db2.gz QLALKGFTUNWKCV-HDICACEKSA-N 1 3 340.471 2.439 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CCCCC(F)(F)F)C2)C1 ZINC001317530465 1332286286 /nfs/dbraw/zinc/28/62/86/1332286286.db2.gz XKYDSHYMRRAYSQ-HUUCEWRRSA-N 1 3 349.441 2.499 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CCCCC(F)(F)F)C2)C1 ZINC001317530465 1332286287 /nfs/dbraw/zinc/28/62/87/1332286287.db2.gz XKYDSHYMRRAYSQ-HUUCEWRRSA-N 1 3 349.441 2.499 10 0 EEAEHO CCn1ccc(CNCC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)n1 ZINC001320414721 1332878069 /nfs/dbraw/zinc/87/80/69/1332878069.db2.gz KQZFPERZYLJYCW-MRXNPFEDSA-N 1 3 349.523 2.152 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)CN(C)C2CCC2)s1 ZINC001320445758 1332885782 /nfs/dbraw/zinc/88/57/82/1332885782.db2.gz JLPXLPLQCRHOTF-GFCCVEGCSA-N 1 3 338.521 2.229 10 0 EEAEHO CCN(CC[NH2+]CCC1CCOCC1)C(=O)[C@H]1CCCCN1CC ZINC001320927725 1332981174 /nfs/dbraw/zinc/98/11/74/1332981174.db2.gz CGHQMYQWTYUYNQ-GOSISDBHSA-N 1 3 339.524 2.116 10 0 EEAEHO Cc1cncc(CNC/C=C/CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)c1 ZINC001321284677 1333064297 /nfs/dbraw/zinc/06/42/97/1333064297.db2.gz HBNHWHFCEWUKPJ-XVXNLHAJSA-N 1 3 342.487 2.169 10 0 EEAEHO Cc1cncc(CNC/C=C/CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)c1 ZINC001321284677 1333064300 /nfs/dbraw/zinc/06/43/00/1333064300.db2.gz HBNHWHFCEWUKPJ-XVXNLHAJSA-N 1 3 342.487 2.169 10 0 EEAEHO CN(C)C1(C(=O)N(C)CCC[NH2+]C[C@H]2CCC(F)(F)C2)CCC1 ZINC001322544941 1333280214 /nfs/dbraw/zinc/28/02/14/1333280214.db2.gz ZNWVDYBBJPUZGL-AWEZNQCLSA-N 1 3 331.451 2.344 10 0 EEAEHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CCCO1)CC(C)(C)C ZINC001324226075 1333638850 /nfs/dbraw/zinc/63/88/50/1333638850.db2.gz OHJOSURJIYGDDF-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001328080136 1334391570 /nfs/dbraw/zinc/39/15/70/1334391570.db2.gz GGOVMDBLODKFAF-SJORKVTESA-N 1 3 341.540 2.216 10 0 EEAEHO CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001328080136 1334391576 /nfs/dbraw/zinc/39/15/76/1334391576.db2.gz GGOVMDBLODKFAF-SJORKVTESA-N 1 3 341.540 2.216 10 0 EEAEHO CC(C)OCC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC001332405550 1335818839 /nfs/dbraw/zinc/81/88/39/1335818839.db2.gz TZDFLZIWNKXVHR-INIZCTEOSA-N 1 3 339.524 2.112 10 0 EEAEHO COCCC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1C(C)C)C(C)(C)C ZINC001332793213 1335908257 /nfs/dbraw/zinc/90/82/57/1335908257.db2.gz VWXZADQTJKPKPB-CVEARBPZSA-N 1 3 327.513 2.016 10 0 EEAEHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCC[C@@H]1CCOC1 ZINC001567016612 1342679448 /nfs/dbraw/zinc/67/94/48/1342679448.db2.gz JMVFXRJQMXIDSR-IAGOWNOFSA-N 1 3 339.524 2.162 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC(F)(F)F)CC1 ZINC001570046852 1343004121 /nfs/dbraw/zinc/00/41/21/1343004121.db2.gz OELKBPXJTXIAGA-JOCQHMNTSA-N 1 3 346.397 2.478 10 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/nfs/dbraw/zinc/50/67/81/1353506781.db2.gz UINYWGVMWVPBPB-INIZCTEOSA-N 1 3 335.467 2.148 10 0 EEAEHO COCCCCC[NH2+]C1(C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001649461268 1353518360 /nfs/dbraw/zinc/51/83/60/1353518360.db2.gz XASBUBDISCTUJD-KRWDZBQOSA-N 1 3 339.524 2.116 10 0 EEAEHO CN(C[C@@H]1CCN1CC1CC(F)(F)C1)C(=O)CCCC[NH+](C)C ZINC001656106329 1354202566 /nfs/dbraw/zinc/20/25/66/1354202566.db2.gz XRLLLSCVAIHPFQ-HNNXBMFYSA-N 1 3 331.451 2.296 10 0 EEAEHO CC(C)[C@@H](C(=O)NCCCN(C)Cc1ccnc(Cl)c1)[NH+](C)C ZINC001660180586 1354411340 /nfs/dbraw/zinc/41/13/40/1354411340.db2.gz YFZZMDLDJPGFOZ-INIZCTEOSA-N 1 3 340.899 2.259 10 0 EEAEHO O=C(NCCCN(CCC(F)(F)F)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001660686123 1354516271 /nfs/dbraw/zinc/51/62/71/1354516271.db2.gz YIFOLXBOPYZKRF-HNNXBMFYSA-N 1 3 347.425 2.251 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC[C@H]3CC3(Cl)Cl)C2)CCC1 ZINC001661434872 1354638152 /nfs/dbraw/zinc/63/81/52/1354638152.db2.gz BXASGGBXZVZKOH-AVGNSLFASA-N 1 3 348.318 2.291 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCOc1ccccc1 ZINC001662351479 1354785283 /nfs/dbraw/zinc/78/52/83/1354785283.db2.gz WJSUWJJFSCUAEH-HKUYNNGSSA-N 1 3 347.503 2.423 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]C[C@H](OC)C1CCCC1 ZINC001664395647 1355153929 /nfs/dbraw/zinc/15/39/29/1355153929.db2.gz UAKYQWHBIGGMPG-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CCCOC)CC1 ZINC001664467479 1355171381 /nfs/dbraw/zinc/17/13/81/1355171381.db2.gz MKAAOZCFWATZEE-FUHWJXTLSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001666993013 1355629086 /nfs/dbraw/zinc/62/90/86/1355629086.db2.gz XWCHVCRQJUGURC-MSOLQXFVSA-N 1 3 331.504 2.316 10 0 EEAEHO COCCCC[N@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001669882855 1356231706 /nfs/dbraw/zinc/23/17/06/1356231706.db2.gz RDOHMHXTYPDHTL-MAUKXSAKSA-N 1 3 345.503 2.062 10 0 EEAEHO COCCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001669882855 1356231711 /nfs/dbraw/zinc/23/17/11/1356231711.db2.gz RDOHMHXTYPDHTL-MAUKXSAKSA-N 1 3 345.503 2.062 10 0 EEAEHO CC(C)OCC[NH2+]C[C@]1(C)CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001671784083 1356413991 /nfs/dbraw/zinc/41/39/91/1356413991.db2.gz CHEXEISYGLEWOM-IBGZPJMESA-N 1 3 341.540 2.218 10 0 EEAEHO CN(CC(=O)N1CC[C@](C)(C[NH2+]CCC(F)(F)F)C1)C1CCC1 ZINC001671747691 1356407171 /nfs/dbraw/zinc/40/71/71/1356407171.db2.gz LCPNJEBNFSSWDY-OAHLLOKOSA-N 1 3 335.414 2.251 10 0 EEAEHO CN(CC(=O)N1CC[C@H](CC[NH2+]Cc2cncc(F)c2)C1)C1CCC1 ZINC001672805110 1356588585 /nfs/dbraw/zinc/58/85/85/1356588585.db2.gz KTLBCZWNQRISGA-HNNXBMFYSA-N 1 3 348.466 2.033 10 0 EEAEHO Cc1oncc1CNCC[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001672915182 1356613417 /nfs/dbraw/zinc/61/34/17/1356613417.db2.gz FXPMNDVJCSHWGG-KRWDZBQOSA-N 1 3 348.491 2.187 10 0 EEAEHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCOC1CCCCCC1 ZINC001673904691 1356757471 /nfs/dbraw/zinc/75/74/71/1356757471.db2.gz MYUGFNDCSBSVCL-MAUKXSAKSA-N 1 3 348.491 2.128 10 0 EEAEHO Cc1cnc([C@H](C)NCCC[C@H](C)NC(=O)C2CC[NH+](C)CC2)cn1 ZINC001675966277 1357079006 /nfs/dbraw/zinc/07/90/06/1357079006.db2.gz NICLGYXYPCNKHS-HOCLYGCPSA-N 1 3 347.507 2.062 10 0 EEAEHO COc1cc(C[NH2+]C/C=C\CNC(=O)C2(N(C)C)CCC2)ccc1C ZINC001699259588 1405300714 /nfs/dbraw/zinc/30/07/14/1405300714.db2.gz DYXQIGAPESGQID-WAYWQWQTSA-N 1 3 345.487 2.250 10 0 EEAEHO CC1CC[NH+](CCCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000809970829 783544982 /nfs/dbraw/zinc/54/49/82/783544982.db2.gz NAFMXMDZGMQOQA-SFHVURJKSA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc(Cl)n1 ZINC000817860909 785026739 /nfs/dbraw/zinc/02/67/39/785026739.db2.gz YZIVCAZRMCHLIF-UEEZHKSASA-N 1 3 338.883 2.265 10 0 EEAEHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC000818178924 785206359 /nfs/dbraw/zinc/20/63/59/785206359.db2.gz VNORQIPTDNUUHS-MSOLQXFVSA-N 1 3 325.472 2.143 10 0 EEAEHO C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC000818178924 785206369 /nfs/dbraw/zinc/20/63/69/785206369.db2.gz VNORQIPTDNUUHS-MSOLQXFVSA-N 1 3 325.472 2.143 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@]2(CC2(F)F)C1 ZINC000820087538 785784000 /nfs/dbraw/zinc/78/40/00/785784000.db2.gz XFPVZMROUXAFFG-GOEBONIOSA-N 1 3 346.466 2.089 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@]2(CC2(F)F)C1 ZINC000820087538 785784004 /nfs/dbraw/zinc/78/40/04/785784004.db2.gz XFPVZMROUXAFFG-GOEBONIOSA-N 1 3 346.466 2.089 10 0 EEAEHO CCCOc1cccc(CNC(=O)CN2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923498929 789681082 /nfs/dbraw/zinc/68/10/82/789681082.db2.gz QWWAQLJHLAZZOU-RDJZCZTQSA-N 1 3 333.476 2.008 10 0 EEAEHO CCCCOc1cccc(CNC(=O)CN2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923498904 789681663 /nfs/dbraw/zinc/68/16/63/789681663.db2.gz QRTPKEFJAFIFST-AEFFLSMTSA-N 1 3 347.503 2.398 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000925346133 795367823 /nfs/dbraw/zinc/36/78/23/795367823.db2.gz ZCIWSNOLFRAVBW-WQVCFCJDSA-N 1 3 338.883 2.335 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000925346133 795367828 /nfs/dbraw/zinc/36/78/28/795367828.db2.gz ZCIWSNOLFRAVBW-WQVCFCJDSA-N 1 3 338.883 2.335 10 0 EEAEHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1cc(C)ccc1OC ZINC001566543378 1125712993 /nfs/dbraw/zinc/71/29/93/1125712993.db2.gz NWYIGKAYMBTPQA-SFHVURJKSA-N 1 3 347.503 2.426 10 0 EEAEHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1cc(C)ccc1OC ZINC001566543378 1125712999 /nfs/dbraw/zinc/71/29/99/1125712999.db2.gz NWYIGKAYMBTPQA-SFHVURJKSA-N 1 3 347.503 2.426 10 0 EEAEHO CCc1nocc1CN[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001436802519 1088381667 /nfs/dbraw/zinc/38/16/67/1088381667.db2.gz ODSSEQGEFWOVQN-QGZVFWFLSA-N 1 3 348.491 2.096 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCC1CCOCC1 ZINC001437217360 1089296282 /nfs/dbraw/zinc/29/62/82/1089296282.db2.gz UQDBHCRWESVIBI-FUHWJXTLSA-N 1 3 339.524 2.160 10 0 EEAEHO Cc1ccccc1CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001438174957 1090683374 /nfs/dbraw/zinc/68/33/74/1090683374.db2.gz QCTGSCRFMTVMNU-OALUTQOASA-N 1 3 329.488 2.164 10 0 EEAEHO CCCN(C)CC(=O)NC1(C[NH2+]C[C@@H]2CCO[C@H](C)C2)CCCC1 ZINC001438408137 1090894857 /nfs/dbraw/zinc/89/48/57/1090894857.db2.gz YXGXOJYYDBWLLU-IAGOWNOFSA-N 1 3 339.524 2.162 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)[C@H](C)CNCc1cccnc1)[NH+]1CCCC1 ZINC001438709400 1091224306 /nfs/dbraw/zinc/22/43/06/1091224306.db2.gz AASAEWHEDIUWPQ-SJLPKXTDSA-N 1 3 332.492 2.139 10 0 EEAEHO CC(C)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001438829822 1091447590 /nfs/dbraw/zinc/44/75/90/1091447590.db2.gz QHEQYBXLZBOIDW-CRAIPNDOSA-N 1 3 335.467 2.398 10 0 EEAEHO CC[C@@H](F)CN1CCC(C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001439925935 1093004821 /nfs/dbraw/zinc/00/48/21/1093004821.db2.gz QGXXEMUQCRSJIC-JKSUJKDBSA-N 1 3 327.488 2.295 10 0 EEAEHO CC[C@@H](F)CN1CCC(C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001439925935 1093004828 /nfs/dbraw/zinc/00/48/28/1093004828.db2.gz QGXXEMUQCRSJIC-JKSUJKDBSA-N 1 3 327.488 2.295 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCc2cccc3c2CC[N@H+](CCCF)C3)C1 ZINC001440261607 1093365429 /nfs/dbraw/zinc/36/54/29/1093365429.db2.gz JOQIIIAMIIZLMC-MRXNPFEDSA-N 1 3 347.478 2.362 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCc2cccc3c2CC[N@@H+](CCCF)C3)C1 ZINC001440261607 1093365436 /nfs/dbraw/zinc/36/54/36/1093365436.db2.gz JOQIIIAMIIZLMC-MRXNPFEDSA-N 1 3 347.478 2.362 10 0 EEAEHO CN(C)C1(C(=O)NC2CC(C[NH2+]Cc3ccc(F)cc3)C2)CCC1 ZINC001440758689 1094000537 /nfs/dbraw/zinc/00/05/37/1094000537.db2.gz PBDOVVIOTGFZDV-UHFFFAOYSA-N 1 3 333.451 2.294 10 0 EEAEHO COc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C(C)C)C2)c1 ZINC001449016908 1094018938 /nfs/dbraw/zinc/01/89/38/1094018938.db2.gz NEJZSBOGQLKSSH-DOTOQJQBSA-N 1 3 333.476 2.114 10 0 EEAEHO Cc1oncc1CN[C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001440791793 1094032898 /nfs/dbraw/zinc/03/28/98/1094032898.db2.gz RJXUVBSYEPLPLZ-KGLIPLIRSA-N 1 3 336.480 2.230 10 0 EEAEHO COc1cc(CN(C)[C@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)ccc1C ZINC001440993365 1094260900 /nfs/dbraw/zinc/26/09/00/1094260900.db2.gz CHFKZVZXKUVLPD-SJLPKXTDSA-N 1 3 347.503 2.282 10 0 EEAEHO COc1cc(CN(C)[C@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)ccc1C ZINC001440993365 1094260904 /nfs/dbraw/zinc/26/09/04/1094260904.db2.gz CHFKZVZXKUVLPD-SJLPKXTDSA-N 1 3 347.503 2.282 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CC2CCCCC2)C1 ZINC001441328869 1094788585 /nfs/dbraw/zinc/78/85/85/1094788585.db2.gz JPZWZNCQZZKZGS-WMZOPIPTSA-N 1 3 339.524 2.112 10 0 EEAEHO CCCN(C)CC(=O)N[C@H](C[NH2+]Cc1cnc(C)s1)C(C)(C)C ZINC001442167391 1096428653 /nfs/dbraw/zinc/42/86/53/1096428653.db2.gz GVEMERWKAZBTSQ-OAHLLOKOSA-N 1 3 340.537 2.414 10 0 EEAEHO C[C@H](C(=O)NC[C@H]1CCN(Cc2cccnc2)C1)[NH+]1CCCCCC1 ZINC001442876544 1097270085 /nfs/dbraw/zinc/27/00/85/1097270085.db2.gz CWSAAUPJSMYQDK-IEBWSBKVSA-N 1 3 344.503 2.284 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC001444193600 1098744207 /nfs/dbraw/zinc/74/42/07/1098744207.db2.gz UWRMPUYZSXJANG-BZSNNMDCSA-N 1 3 339.524 2.303 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCCCC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001479692159 1098756270 /nfs/dbraw/zinc/75/62/70/1098756270.db2.gz JKBUYKLXNTUZNZ-LBPRGKRZSA-N 1 3 332.370 2.265 10 0 EEAEHO Cc1noc(C)c1CN[C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001479693068 1098759050 /nfs/dbraw/zinc/75/90/50/1098759050.db2.gz UIYYKJHGQWRZQO-INIZCTEOSA-N 1 3 336.480 2.104 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001480022795 1099502770 /nfs/dbraw/zinc/50/27/70/1099502770.db2.gz ACJFSMGVJCTLBX-JKSUJKDBSA-N 1 3 343.462 2.391 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@@H]([NH2+]CC2CC2)C2CC2)C1 ZINC001480047752 1099551628 /nfs/dbraw/zinc/55/16/28/1099551628.db2.gz VMSZBEDNPLLWRL-QAPCUYQASA-N 1 3 325.472 2.093 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001480063844 1099593526 /nfs/dbraw/zinc/59/35/26/1099593526.db2.gz SYVZZLRANMPGOP-KRWDZBQOSA-N 1 3 330.476 2.325 10 0 EEAEHO CC(C)C[C@@H](CNCc1ccccc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001444768415 1099667123 /nfs/dbraw/zinc/66/71/23/1099667123.db2.gz AMSNJQBGRGFHQP-IRXDYDNUSA-N 1 3 335.467 2.398 10 0 EEAEHO CC(C)C[C@@H](CNCc1ccccc1F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444768415 1099667130 /nfs/dbraw/zinc/66/71/30/1099667130.db2.gz AMSNJQBGRGFHQP-IRXDYDNUSA-N 1 3 335.467 2.398 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2CCC(CCN(C)CCF)CC2)CC[N@@H+]1C ZINC001444822609 1099760782 /nfs/dbraw/zinc/76/07/82/1099760782.db2.gz RSLZYRSKDIDSSL-DLBZAZTESA-N 1 3 327.488 2.247 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2CCC(CCN(C)CCF)CC2)CC[N@H+]1C ZINC001444822609 1099760788 /nfs/dbraw/zinc/76/07/88/1099760788.db2.gz RSLZYRSKDIDSSL-DLBZAZTESA-N 1 3 327.488 2.247 10 0 EEAEHO Cc1cc(CN[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C(C)C)sn1 ZINC001444898195 1099950742 /nfs/dbraw/zinc/95/07/42/1099950742.db2.gz VHXSPWXVLVKOMR-HNNXBMFYSA-N 1 3 338.521 2.024 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)C[C@@H]1CC(C)(C)CO1 ZINC001444980749 1100107260 /nfs/dbraw/zinc/10/72/60/1100107260.db2.gz UJHRFEQIAOBNAA-IRXDYDNUSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)C[C@@H]1CC(C)(C)CO1 ZINC001444980749 1100107267 /nfs/dbraw/zinc/10/72/67/1100107267.db2.gz UJHRFEQIAOBNAA-IRXDYDNUSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)C[C@@H]1CC(C)(C)CO1 ZINC001444980746 1100107675 /nfs/dbraw/zinc/10/76/75/1100107675.db2.gz UJHRFEQIAOBNAA-DLBZAZTESA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)C[C@@H]1CC(C)(C)CO1 ZINC001444980746 1100107680 /nfs/dbraw/zinc/10/76/80/1100107680.db2.gz UJHRFEQIAOBNAA-DLBZAZTESA-N 1 3 339.524 2.065 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)N1CCCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001480349545 1100118737 /nfs/dbraw/zinc/11/87/37/1100118737.db2.gz HFERLKMUXZRXSM-MMCPSDEHSA-N 1 3 333.879 2.390 10 0 EEAEHO CC(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001446554073 1101027209 /nfs/dbraw/zinc/02/72/09/1101027209.db2.gz DVBIBGZTVGGSOT-ROUUACIJSA-N 1 3 327.488 2.436 10 0 EEAEHO CC(C)C[N@H+]1CC[C@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001446554073 1101027216 /nfs/dbraw/zinc/02/72/16/1101027216.db2.gz DVBIBGZTVGGSOT-ROUUACIJSA-N 1 3 327.488 2.436 10 0 EEAEHO Cc1nc(CNC[C@]2(C)CCN(C(=O)CC[NH+](C)C)C2)sc1C ZINC001446621692 1101127513 /nfs/dbraw/zinc/12/75/13/1101127513.db2.gz YPKFNQDQMNJHOD-KRWDZBQOSA-N 1 3 338.521 2.040 10 0 EEAEHO COCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001446675291 1101214589 /nfs/dbraw/zinc/21/45/89/1101214589.db2.gz YZHVRZZRUYGKIJ-HKUYNNGSSA-N 1 3 339.524 2.116 10 0 EEAEHO COCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001446675291 1101214594 /nfs/dbraw/zinc/21/45/94/1101214594.db2.gz YZHVRZZRUYGKIJ-HKUYNNGSSA-N 1 3 339.524 2.116 10 0 EEAEHO C[NH+](C)CCC(=O)N1CC2(C1)CCN(Cc1ccc(F)cc1)CC2 ZINC001447114313 1102014206 /nfs/dbraw/zinc/01/42/06/1102014206.db2.gz KIWWHQSAWCWQOF-UHFFFAOYSA-N 1 3 333.451 2.202 10 0 EEAEHO Cc1nccnc1CNCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001497189018 1102095302 /nfs/dbraw/zinc/09/53/02/1102095302.db2.gz QAEUKSQJTYUXRG-OAHLLOKOSA-N 1 3 347.507 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ZINC001494876905 1104486878 /nfs/dbraw/zinc/48/68/78/1104486878.db2.gz SCJWGANZHUGYSP-QZTJIDSGSA-N 1 3 339.524 2.065 10 0 EEAEHO COc1ccc(C)cc1C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001480680323 1106871058 /nfs/dbraw/zinc/87/10/58/1106871058.db2.gz JUCLOQSAKVJHAO-KRWDZBQOSA-N 1 3 347.503 2.282 10 0 EEAEHO Cc1cc(F)ccc1C[N@@H+](C)C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001498382406 1107426538 /nfs/dbraw/zinc/42/65/38/1107426538.db2.gz VRXHIWKWYHYGTN-GDBMZVCRSA-N 1 3 335.467 2.412 10 0 EEAEHO Cc1cc(F)ccc1C[N@H+](C)C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001498382406 1107426541 /nfs/dbraw/zinc/42/65/41/1107426541.db2.gz VRXHIWKWYHYGTN-GDBMZVCRSA-N 1 3 335.467 2.412 10 0 EEAEHO COc1ccc(C)cc1CNCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001493612324 1108402954 /nfs/dbraw/zinc/40/29/54/1108402954.db2.gz GBSGHKPWMRPQHD-UHFFFAOYSA-N 1 3 345.487 2.180 10 0 EEAEHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCNCc2cc3ccccc3o2)C1 ZINC001493695999 1108522393 /nfs/dbraw/zinc/52/23/93/1108522393.db2.gz YIFUYRDRMQUDPC-OAHLLOKOSA-N 1 3 329.444 2.323 10 0 EEAEHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNCc2cc3ccccc3o2)C1 ZINC001493695999 1108522400 /nfs/dbraw/zinc/52/24/00/1108522400.db2.gz YIFUYRDRMQUDPC-OAHLLOKOSA-N 1 3 329.444 2.323 10 0 EEAEHO CN(C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](C/C=C/Cl)C3)CCC1 ZINC001501006320 1113163674 /nfs/dbraw/zinc/16/36/74/1113163674.db2.gz SNMVOLTUSFGJRG-DLYKKBCUSA-N 1 3 325.884 2.192 10 0 EEAEHO CN(C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](C/C=C/Cl)C3)CCC1 ZINC001501006320 1113163676 /nfs/dbraw/zinc/16/36/76/1113163676.db2.gz SNMVOLTUSFGJRG-DLYKKBCUSA-N 1 3 325.884 2.192 10 0 EEAEHO Cc1cc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)sn1 ZINC001501090715 1113195295 /nfs/dbraw/zinc/19/52/95/1113195295.db2.gz HAUUZVGAAVWYQJ-CABCVRRESA-N 1 3 338.521 2.118 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CCc2ccccc2)C1)N(C)C ZINC001501638627 1113410239 /nfs/dbraw/zinc/41/02/39/1113410239.db2.gz YMSNWWNLGCCLHE-OALUTQOASA-N 1 3 331.504 2.398 10 0 EEAEHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001502087742 1113582220 /nfs/dbraw/zinc/58/22/20/1113582220.db2.gz RZXTXISISSPZQT-GOSISDBHSA-N 1 3 339.524 2.116 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@H+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001502147307 1113616487 /nfs/dbraw/zinc/61/64/87/1113616487.db2.gz GUAMYUGQGBJSIS-DLBZAZTESA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@@H+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001502147307 1113616489 /nfs/dbraw/zinc/61/64/89/1113616489.db2.gz GUAMYUGQGBJSIS-DLBZAZTESA-N 1 3 339.524 2.112 10 0 EEAEHO CCCN(C)CC(=O)NC1CC(C[NH2+]Cc2ccc(F)cc2F)C1 ZINC001505531267 1114037122 /nfs/dbraw/zinc/03/71/22/1114037122.db2.gz XCYRMPIDZTTXAP-UHFFFAOYSA-N 1 3 339.430 2.291 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC001505760727 1114174497 /nfs/dbraw/zinc/17/44/97/1114174497.db2.gz OJZKNAMIPOEUQS-HOTGVXAUSA-N 1 3 347.503 2.082 10 0 EEAEHO CC(C)OCCN1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001506741268 1114851741 /nfs/dbraw/zinc/85/17/41/1114851741.db2.gz FHXWGOHPDOHQOB-DLBZAZTESA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)OCCN1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001506741268 1114851742 /nfs/dbraw/zinc/85/17/42/1114851742.db2.gz FHXWGOHPDOHQOB-DLBZAZTESA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@@H](C)CN(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001507128386 1115123307 /nfs/dbraw/zinc/12/33/07/1115123307.db2.gz VDEQBXZQPZFLOQ-MSOLQXFVSA-N 1 3 347.503 2.152 10 0 EEAEHO COCC[NH2+]C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C(C)(C)C ZINC001508034671 1115397073 /nfs/dbraw/zinc/39/70/73/1115397073.db2.gz GTMLTIHVWLBQSR-QGZVFWFLSA-N 1 3 335.492 2.129 10 0 EEAEHO CC(C)OCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001568379320 1124448424 /nfs/dbraw/zinc/44/84/24/1124448424.db2.gz PNTKVTPHGYVEDD-MSOLQXFVSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1csc(CNCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)n1 ZINC001568630397 1124644713 /nfs/dbraw/zinc/64/47/13/1124644713.db2.gz BUCCRAOGNPNSJA-DZGCQCFKSA-N 1 3 338.521 2.309 10 0 EEAEHO Cc1csc(CNCC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)n1 ZINC001568630397 1124644716 /nfs/dbraw/zinc/64/47/16/1124644716.db2.gz BUCCRAOGNPNSJA-DZGCQCFKSA-N 1 3 338.521 2.309 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCNCc2cc(C)no2)C1 ZINC001568669570 1124683565 /nfs/dbraw/zinc/68/35/65/1124683565.db2.gz SMOIVQGJDVZIKA-GOEBONIOSA-N 1 3 336.480 2.089 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCNCc2cc(C)no2)C1 ZINC001568669570 1124683567 /nfs/dbraw/zinc/68/35/67/1124683567.db2.gz SMOIVQGJDVZIKA-GOEBONIOSA-N 1 3 336.480 2.089 10 0 EEAEHO CN(CCCNCc1ccncc1Cl)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001569257821 1125199657 /nfs/dbraw/zinc/19/96/57/1125199657.db2.gz NDSUSAYMISPHTG-AWEZNQCLSA-N 1 3 338.883 2.015 10 0 EEAEHO CN(CCCNCc1ccncc1Cl)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001569257821 1125199659 /nfs/dbraw/zinc/19/96/59/1125199659.db2.gz NDSUSAYMISPHTG-AWEZNQCLSA-N 1 3 338.883 2.015 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115806180 282130939 /nfs/dbraw/zinc/13/09/39/282130939.db2.gz LLJRMXVCOPYFGU-MOPGFXCFSA-N 1 3 346.519 2.143 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000115806180 282130940 /nfs/dbraw/zinc/13/09/40/282130940.db2.gz LLJRMXVCOPYFGU-MOPGFXCFSA-N 1 3 346.519 2.143 10 0 EEAEHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CCN1CCc2ccccc2C1 ZINC000416165235 529948542 /nfs/dbraw/zinc/94/85/42/529948542.db2.gz DXTXSQYTJQMRTD-QGZVFWFLSA-N 1 3 329.488 2.235 10 0 EEAEHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CCN1CCc2ccccc2C1 ZINC000416165235 529948544 /nfs/dbraw/zinc/94/85/44/529948544.db2.gz DXTXSQYTJQMRTD-QGZVFWFLSA-N 1 3 329.488 2.235 10 0 EEAEHO Cc1cc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)n(C)n1 ZINC000423079129 240357139 /nfs/dbraw/zinc/35/71/39/240357139.db2.gz XGZQVLYKXIPXBU-XWTMOSNGSA-N 1 3 331.508 2.208 10 0 EEAEHO COCCN1CCC[C@@H]1CN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422718328 240191924 /nfs/dbraw/zinc/19/19/24/240191924.db2.gz WYYHUZMWVMBMDB-MISYRCLQSA-N 1 3 347.503 2.189 10 0 EEAEHO COC[C@@H](CCC[NH3+])Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422981518 240315655 /nfs/dbraw/zinc/31/56/55/240315655.db2.gz OOIWIYOBJVGBMR-LJQANCHMSA-N 1 3 335.492 2.057 10 0 EEAEHO CC[C@@H](NCC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423175499 240393136 /nfs/dbraw/zinc/39/31/36/240393136.db2.gz DSHDVENNSRQQRC-MOPGFXCFSA-N 1 3 331.504 2.134 10 0 EEAEHO C[NH+](C)CCCCNCC(=O)Nc1ccccc1Br ZINC000045698490 204334209 /nfs/dbraw/zinc/33/42/09/204334209.db2.gz RLCFCEITMPKUMW-UHFFFAOYSA-N 1 3 328.254 2.319 10 0 EEAEHO CN(C(=O)CCC1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261557445 160398938 /nfs/dbraw/zinc/39/89/38/160398938.db2.gz RQWQUOPYRZQNNI-LJQANCHMSA-N 1 3 329.488 2.499 10 0 EEAEHO OC[C@H](NC/C=C\C[NH2+][C@@H](CO)c1ccsc1)c1ccsc1 ZINC000352019456 162032108 /nfs/dbraw/zinc/03/21/08/162032108.db2.gz FEOVTJHWKSGPOY-GTVVJKOOSA-N 1 3 338.498 2.312 10 0 EEAEHO CN1CCN(CC2(C)CC[NH+](C[C@@H](O)C3CCCCC3)CC2)CC1 ZINC000364473598 165149799 /nfs/dbraw/zinc/14/97/99/165149799.db2.gz AIOQWHJZTDWCEE-LJQANCHMSA-N 1 3 337.552 2.277 10 0 EEAEHO CN1CCN(CC2(C)CC[NH+](C[C@H](O)C3CCCCC3)CC2)CC1 ZINC000364473597 165150119 /nfs/dbraw/zinc/15/01/19/165150119.db2.gz AIOQWHJZTDWCEE-IBGZPJMESA-N 1 3 337.552 2.277 10 0 EEAEHO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000368615671 166091259 /nfs/dbraw/zinc/09/12/59/166091259.db2.gz QUZAPYIHLQVZGB-OTWHNJEPSA-N 1 3 329.488 2.498 10 0 EEAEHO C[N@@H+]1CC[C@]2(CCN(CCC(=O)NCc3ccccc3Cl)C2)C1 ZINC000292198331 275392571 /nfs/dbraw/zinc/39/25/71/275392571.db2.gz SADWCZFUSASWCR-SFHVURJKSA-N 1 3 335.879 2.374 10 0 EEAEHO C[N@H+]1CC[C@]2(CCN(CCC(=O)NCc3ccccc3Cl)C2)C1 ZINC000292198331 275392572 /nfs/dbraw/zinc/39/25/72/275392572.db2.gz SADWCZFUSASWCR-SFHVURJKSA-N 1 3 335.879 2.374 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@](C)(O)C2CC2)CC1 ZINC000344414352 276263128 /nfs/dbraw/zinc/26/31/28/276263128.db2.gz XOJFNVBWBSVBGT-FQEVSTJZSA-N 1 3 331.504 2.469 10 0 EEAEHO CC1(C)CC(NC(=O)NCCCNCc2cccnc2)CC(C)(C)[NH2+]1 ZINC000416790678 313317099 /nfs/dbraw/zinc/31/70/99/313317099.db2.gz HHBQRWJHWWHONN-UHFFFAOYSA-N 1 3 347.507 2.170 10 0 EEAEHO [NH3+]CCc1ccccc1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000563895562 319053826 /nfs/dbraw/zinc/05/38/26/319053826.db2.gz DYNIZTYFWKVRBX-UHFFFAOYSA-N 1 3 338.455 2.229 10 0 EEAEHO COc1ccc(COC[C@@H](O)C[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000566123334 319248030 /nfs/dbraw/zinc/24/80/30/319248030.db2.gz HCMUYYYNCMEASD-ACBHZAAOSA-N 1 3 348.487 2.179 10 0 EEAEHO C[N@@H+]1CCCC[C@H]1CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000566209181 319260164 /nfs/dbraw/zinc/26/01/64/319260164.db2.gz QJULMMVIYQEJJR-OKZBNKHCSA-N 1 3 333.451 2.343 10 0 EEAEHO C[N@H+]1CCCC[C@H]1CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000566209181 319260166 /nfs/dbraw/zinc/26/01/66/319260166.db2.gz QJULMMVIYQEJJR-OKZBNKHCSA-N 1 3 333.451 2.343 10 0 EEAEHO COc1cc(CN2CCCC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000011706453 462838575 /nfs/dbraw/zinc/83/85/75/462838575.db2.gz BFWCSECOWSXLLJ-KRWDZBQOSA-N 1 3 336.476 2.371 10 0 EEAEHO COc1cc(CN2CCCC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000011706453 462838580 /nfs/dbraw/zinc/83/85/80/462838580.db2.gz BFWCSECOWSXLLJ-KRWDZBQOSA-N 1 3 336.476 2.371 10 0 EEAEHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000079734019 463245057 /nfs/dbraw/zinc/24/50/57/463245057.db2.gz CSJKYVUUGIGNRA-SJLPKXTDSA-N 1 3 334.508 2.189 10 0 EEAEHO CN(C)[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000170829096 463715712 /nfs/dbraw/zinc/71/57/12/463715712.db2.gz WYBBEAIMGDJMQE-SFHVURJKSA-N 1 3 330.476 2.128 10 0 EEAEHO CN(CCC[NH+](C)C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000185385701 463813384 /nfs/dbraw/zinc/81/33/84/463813384.db2.gz ZBCJTUPUGWHSPE-SFHVURJKSA-N 1 3 332.492 2.417 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)N2CCC(C)CC2)[C@@H](C)C1 ZINC000246527502 464596196 /nfs/dbraw/zinc/59/61/96/464596196.db2.gz VOMXXISUIWPPER-KSZLIROESA-N 1 3 338.540 2.479 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)N2CCC(C)CC2)[C@@H](C)C1 ZINC000246527502 464596206 /nfs/dbraw/zinc/59/62/06/464596206.db2.gz VOMXXISUIWPPER-KSZLIROESA-N 1 3 338.540 2.479 10 0 EEAEHO COC(=O)c1occc1CNCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000344621124 465727504 /nfs/dbraw/zinc/72/75/04/465727504.db2.gz YARWWAPIIGLSBQ-UHFFFAOYSA-N 1 3 349.475 2.106 10 0 EEAEHO C[C@H]1CN(C)C[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000358001935 466379080 /nfs/dbraw/zinc/37/90/80/466379080.db2.gz FWDNUQOIPGALGJ-ICSRJNTNSA-N 1 3 330.520 2.129 10 0 EEAEHO C[C@H](NC(C)(C)CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000417630426 466895681 /nfs/dbraw/zinc/89/56/81/466895681.db2.gz QXHWQIHNWZPPIS-ZOBUZTSGSA-N 1 3 332.492 2.413 10 0 EEAEHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000418049705 467034688 /nfs/dbraw/zinc/03/46/88/467034688.db2.gz YKVNFELZQUJZIT-QUCCMNQESA-N 1 3 344.503 2.435 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000418140050 467057754 /nfs/dbraw/zinc/05/77/54/467057754.db2.gz KOFHYSXQTWYPJI-LZQZEXGQSA-N 1 3 344.503 2.194 10 0 EEAEHO C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C)[C@H](C)[NH3+] ZINC000418166634 467064165 /nfs/dbraw/zinc/06/41/65/467064165.db2.gz ZOOKYIWKYHXVEY-ZMSDIMECSA-N 1 3 332.492 2.322 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418614650 467136197 /nfs/dbraw/zinc/13/61/97/467136197.db2.gz JJNTVUPZHPICQF-NEWSRXKRSA-N 1 3 344.503 2.290 10 0 EEAEHO CC(C)N(CCN(C)C)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418778563 467158202 /nfs/dbraw/zinc/15/82/02/467158202.db2.gz ZRLWRQNFIWCBDO-UHFFFAOYSA-N 1 3 336.524 2.122 10 0 EEAEHO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CCN(C3CC3)CC2)C12CCCC2 ZINC000450970024 467217908 /nfs/dbraw/zinc/21/79/08/467217908.db2.gz MFQDZYJVZRZWCH-QZTJIDSGSA-N 1 3 349.519 2.057 10 0 EEAEHO O=C1NCCC[C@H]1N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433167088 467301119 /nfs/dbraw/zinc/30/11/19/467301119.db2.gz HRCVLRBENVKMEE-GOSISDBHSA-N 1 3 327.472 2.253 10 0 EEAEHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407352475 467484062 /nfs/dbraw/zinc/48/40/62/467484062.db2.gz CFDPLJDFCPSAPD-GBESFXJTSA-N 1 3 327.472 2.298 10 0 EEAEHO COc1cc(CN2CC[C@H](NC[C@@H]([NH3+])CC(C)C)C2)cc(OC)c1 ZINC000415088988 467486835 /nfs/dbraw/zinc/48/68/35/467486835.db2.gz WASTZGNBQDIHTN-IRXDYDNUSA-N 1 3 335.492 2.241 10 0 EEAEHO C[C@@H](CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)[NH+](C)C ZINC000454382486 467589148 /nfs/dbraw/zinc/58/91/48/467589148.db2.gz FHLPBTUOPYRGCP-FUHWJXTLSA-N 1 3 332.492 2.290 10 0 EEAEHO CN1CCC[C@]2(CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)C1 ZINC000458474264 467841283 /nfs/dbraw/zinc/84/12/83/467841283.db2.gz MNOXKTUVFLFNDI-PHSGOXPASA-N 1 3 334.508 2.129 10 0 EEAEHO CN1CCC[C@]2(CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)C1 ZINC000458474264 467841286 /nfs/dbraw/zinc/84/12/86/467841286.db2.gz MNOXKTUVFLFNDI-PHSGOXPASA-N 1 3 334.508 2.129 10 0 EEAEHO CN1CC[C@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)[C@H]2CCC[C@@H]21 ZINC000515239398 467981490 /nfs/dbraw/zinc/98/14/90/467981490.db2.gz DNCOBCRQDJGZAB-IKGGRYGDSA-N 1 3 337.489 2.021 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)N2CCCC2)cc1 ZINC000519590143 468177905 /nfs/dbraw/zinc/17/79/05/468177905.db2.gz ZRLBIJNBQZKAHS-WDSOQIARSA-N 1 3 344.503 2.429 10 0 EEAEHO CSC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596692467 469336353 /nfs/dbraw/zinc/33/63/53/469336353.db2.gz GZNDMAWNDLGAEM-JKSUJKDBSA-N 1 3 344.569 2.043 10 0 EEAEHO CSC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596692467 469336357 /nfs/dbraw/zinc/33/63/57/469336357.db2.gz GZNDMAWNDLGAEM-JKSUJKDBSA-N 1 3 344.569 2.043 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)N[C@@H]2CCCN(C)C2)[NH+](C)C)cc1 ZINC000618547106 469383683 /nfs/dbraw/zinc/38/36/83/469383683.db2.gz BTLCZIBBTGSJDB-QZTJIDSGSA-N 1 3 332.492 2.245 10 0 EEAEHO COc1ccc(CNCCN2CCC([NH+](C)C)CC2)cc1OC1CC1 ZINC000623440489 469657315 /nfs/dbraw/zinc/65/73/15/469657315.db2.gz YORNNIAGJLRJIC-UHFFFAOYSA-N 1 3 347.503 2.352 10 0 EEAEHO CN1CCN(Cc2ccccc2)[C@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623574719 469698839 /nfs/dbraw/zinc/69/88/39/469698839.db2.gz VNNDLLPUWKXWKY-WOJBJXKFSA-N 1 3 344.547 2.265 10 0 EEAEHO CN1CCN(Cc2ccccc2)[C@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623574719 469698842 /nfs/dbraw/zinc/69/88/42/469698842.db2.gz VNNDLLPUWKXWKY-WOJBJXKFSA-N 1 3 344.547 2.265 10 0 EEAEHO CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCN(C)C(C)(C)C2)C1 ZINC000623574719 469698846 /nfs/dbraw/zinc/69/88/46/469698846.db2.gz VNNDLLPUWKXWKY-WOJBJXKFSA-N 1 3 344.547 2.265 10 0 EEAEHO CC(C)Oc1ccccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505618 469703472 /nfs/dbraw/zinc/70/34/72/469703472.db2.gz KEAKXXOBVQRYDI-INIZCTEOSA-N 1 3 335.492 2.476 10 0 EEAEHO CC(C)Oc1ccccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505618 469703477 /nfs/dbraw/zinc/70/34/77/469703477.db2.gz KEAKXXOBVQRYDI-INIZCTEOSA-N 1 3 335.492 2.476 10 0 EEAEHO CCOc1c(F)cccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505994 469703712 /nfs/dbraw/zinc/70/37/12/469703712.db2.gz XIEFJFMGDLEJFT-AWEZNQCLSA-N 1 3 339.455 2.226 10 0 EEAEHO CCOc1c(F)cccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505994 469703716 /nfs/dbraw/zinc/70/37/16/469703716.db2.gz XIEFJFMGDLEJFT-AWEZNQCLSA-N 1 3 339.455 2.226 10 0 EEAEHO CC[C@H](CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)N1CCc2ccccc2C1 ZINC000626934653 469761054 /nfs/dbraw/zinc/76/10/54/469761054.db2.gz KSHDOUKBDPIYDX-ATZDWAIDSA-N 1 3 344.503 2.263 10 0 EEAEHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000627199334 469841824 /nfs/dbraw/zinc/84/18/24/469841824.db2.gz VRMBPXOYYGPXBX-AEFFLSMTSA-N 1 3 332.492 2.209 10 0 EEAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCN2CC[C@H](O)C2)CC1 ZINC000624338726 469908833 /nfs/dbraw/zinc/90/88/33/469908833.db2.gz BQAFMPBSNJWCQG-KRWDZBQOSA-N 1 3 325.541 2.322 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)Nc2cc(C)nn2C2CCN(C)CC2)CC[N@@H+]1C ZINC000631662849 470176867 /nfs/dbraw/zinc/17/68/67/470176867.db2.gz WRRNZXJAJLTCSA-JKSUJKDBSA-N 1 3 333.480 2.127 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)Nc2cc(C)nn2C2CCN(C)CC2)CC[N@H+]1C ZINC000631662849 470176868 /nfs/dbraw/zinc/17/68/68/470176868.db2.gz WRRNZXJAJLTCSA-JKSUJKDBSA-N 1 3 333.480 2.127 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CN1Cc1ccccc1 ZINC000634770058 470303951 /nfs/dbraw/zinc/30/39/51/470303951.db2.gz YRYPEIFFXXFVFF-HYJFEMIMSA-N 1 3 327.472 2.155 10 0 EEAEHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)COC3(C)CNC3)cc2)C1 ZINC000649288452 470529623 /nfs/dbraw/zinc/52/96/23/470529623.db2.gz RJBKPJVTKAEDNU-HNNXBMFYSA-N 1 3 331.460 2.236 10 0 EEAEHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)COC3(C)CNC3)cc2)C1 ZINC000649288452 470529626 /nfs/dbraw/zinc/52/96/26/470529626.db2.gz RJBKPJVTKAEDNU-HNNXBMFYSA-N 1 3 331.460 2.236 10 0 EEAEHO CC(=O)c1cccc(OC[C@@H](O)CN2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639760200 470653748 /nfs/dbraw/zinc/65/37/48/470653748.db2.gz UGDWODZQFQIFLD-SFHVURJKSA-N 1 3 346.471 2.047 10 0 EEAEHO Cc1ccccc1-n1cc(CN(C)CCCN(C)CC[NH+](C)C)cn1 ZINC000648036272 471062717 /nfs/dbraw/zinc/06/27/17/471062717.db2.gz DHJMZTCRINGMOQ-UHFFFAOYSA-N 1 3 343.519 2.496 10 0 EEAEHO CC[C@@H]1C[C@H](NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CO1 ZINC000657355132 471110383 /nfs/dbraw/zinc/11/03/83/471110383.db2.gz CJCPWTYSGFUSSO-GBESFXJTSA-N 1 3 345.487 2.041 10 0 EEAEHO CC[C@@H]1C[C@H](NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CO1 ZINC000657355132 471110388 /nfs/dbraw/zinc/11/03/88/471110388.db2.gz CJCPWTYSGFUSSO-GBESFXJTSA-N 1 3 345.487 2.041 10 0 EEAEHO CC(C)[N@@H+](Cc1ccc(OCCN(C)C)cc1)C[C@@H]1CCC(=O)N1 ZINC000666476959 471416005 /nfs/dbraw/zinc/41/60/05/471416005.db2.gz CRPAKUZRVBVRSH-KRWDZBQOSA-N 1 3 333.476 2.116 10 0 EEAEHO CC(C)[N@H+](Cc1ccc(OCCN(C)C)cc1)C[C@@H]1CCC(=O)N1 ZINC000666476959 471416010 /nfs/dbraw/zinc/41/60/10/471416010.db2.gz CRPAKUZRVBVRSH-KRWDZBQOSA-N 1 3 333.476 2.116 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC(C)CC2)[C@@H](C)C1 ZINC000666755646 471524358 /nfs/dbraw/zinc/52/43/58/471524358.db2.gz BTTRZVLKECXWCL-KSZLIROESA-N 1 3 338.540 2.479 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC(C)CC2)[C@@H](C)C1 ZINC000666755646 471524366 /nfs/dbraw/zinc/52/43/66/471524366.db2.gz BTTRZVLKECXWCL-KSZLIROESA-N 1 3 338.540 2.479 10 0 EEAEHO CCc1ccccc1[C@H](N)CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000669521058 471532313 /nfs/dbraw/zinc/53/23/13/471532313.db2.gz MGGYDJQMWHJPHW-GOSISDBHSA-N 1 3 340.471 2.405 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)N(C)C)cc1 ZINC000655909831 471532346 /nfs/dbraw/zinc/53/23/46/471532346.db2.gz HKRXPHVXGWFWDM-ZIAGYGMSSA-N 1 3 346.397 2.041 10 0 EEAEHO CCN(C(=O)NCc1cccc(C[N@H+](C)CC)c1)[C@H]1CCN(C)C1 ZINC000663868489 471556696 /nfs/dbraw/zinc/55/66/96/471556696.db2.gz RQGTXVMSNZHRCS-SFHVURJKSA-N 1 3 332.492 2.374 10 0 EEAEHO CCN(C(=O)NCc1cccc(C[N@@H+](C)CC)c1)[C@H]1CCN(C)C1 ZINC000663868489 471556700 /nfs/dbraw/zinc/55/67/00/471556700.db2.gz RQGTXVMSNZHRCS-SFHVURJKSA-N 1 3 332.492 2.374 10 0 EEAEHO C[C@]1(CNC(=O)N[C@@H]2CCC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000669565862 471559880 /nfs/dbraw/zinc/55/98/80/471559880.db2.gz NRLACICLDCIETI-UYAOXDASSA-N 1 3 344.503 2.482 10 0 EEAEHO C[NH2+]Cc1ccccc1CNC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000659559258 471677132 /nfs/dbraw/zinc/67/71/32/471677132.db2.gz AMKTWJZEAWUTFE-MRXNPFEDSA-N 1 3 332.492 2.326 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2sccc2C1 ZINC000664314068 471715062 /nfs/dbraw/zinc/71/50/62/471715062.db2.gz DKWVYBJCSCIBRS-AWEZNQCLSA-N 1 3 338.521 2.088 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2sccc2C1 ZINC000664314068 471715068 /nfs/dbraw/zinc/71/50/68/471715068.db2.gz DKWVYBJCSCIBRS-AWEZNQCLSA-N 1 3 338.521 2.088 10 0 EEAEHO CC(C)(C)N1CC[C@H]1CNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000661406187 471747428 /nfs/dbraw/zinc/74/74/28/471747428.db2.gz IVKVMFXFWZZKBO-KRWDZBQOSA-N 1 3 336.524 2.280 10 0 EEAEHO COCCN(C)c1ccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656782236 471839364 /nfs/dbraw/zinc/83/93/64/471839364.db2.gz CZPFZYSWTRBNPU-IBGZPJMESA-N 1 3 346.519 2.376 10 0 EEAEHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654396722 471942549 /nfs/dbraw/zinc/94/25/49/471942549.db2.gz LBHPFRVACJOUMX-RNIPGJKVSA-N 1 3 344.503 2.461 10 0 EEAEHO CC[C@@H](NC1CCN(C(=O)CCC[NH2+]C)CC1)c1ccc(F)cn1 ZINC000665287857 471991313 /nfs/dbraw/zinc/99/13/13/471991313.db2.gz WRCYBNDZFFBPBI-MRXNPFEDSA-N 1 3 336.455 2.252 10 0 EEAEHO CC(C)[C@@H]1N(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1(C)C ZINC000665762729 472177305 /nfs/dbraw/zinc/17/73/05/472177305.db2.gz OGQLNXKDCXOWNZ-HOTGVXAUSA-N 1 3 326.529 2.334 10 0 EEAEHO CC(C)[C@@H]1N(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1(C)C ZINC000665762729 472177309 /nfs/dbraw/zinc/17/73/09/472177309.db2.gz OGQLNXKDCXOWNZ-HOTGVXAUSA-N 1 3 326.529 2.334 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C[NH2+]1 ZINC000626955097 485694837 /nfs/dbraw/zinc/69/48/37/485694837.db2.gz SRTCGRHKFRQINA-QRQLOZEOSA-N 1 3 344.503 2.338 10 0 EEAEHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000676647897 486272716 /nfs/dbraw/zinc/27/27/16/486272716.db2.gz LEYGKPFOOWAMBL-QAPCUYQASA-N 1 3 345.491 2.000 10 0 EEAEHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000676647897 486272720 /nfs/dbraw/zinc/27/27/20/486272720.db2.gz LEYGKPFOOWAMBL-QAPCUYQASA-N 1 3 345.491 2.000 10 0 EEAEHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000676647897 486272723 /nfs/dbraw/zinc/27/27/23/486272723.db2.gz LEYGKPFOOWAMBL-QAPCUYQASA-N 1 3 345.491 2.000 10 0 EEAEHO Cc1cc(C)cc([C@H](O)CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000764465201 577736747 /nfs/dbraw/zinc/73/67/47/577736747.db2.gz DKMDFIPAYKJULK-HMXCVIKNSA-N 1 3 345.531 2.295 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000914189091 683349781 /nfs/dbraw/zinc/34/97/81/683349781.db2.gz IHZUIIBAGFJHNC-KBAYOESNSA-N 1 3 330.476 2.043 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000914189091 683349786 /nfs/dbraw/zinc/34/97/86/683349786.db2.gz IHZUIIBAGFJHNC-KBAYOESNSA-N 1 3 330.476 2.043 10 0 EEAEHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccnn1CC1CCC1 ZINC000924663073 693099002 /nfs/dbraw/zinc/09/90/02/693099002.db2.gz ULSYHRKRYRUTMG-KRWDZBQOSA-N 1 3 333.524 2.361 10 0 EEAEHO CC(C)OCCN[C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001691793125 1176144585 /nfs/dbraw/zinc/14/45/85/1176144585.db2.gz UEHFKGZYKYHSIQ-IBGZPJMESA-N 1 3 347.503 2.200 10 0 EEAEHO CC(C)COCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001266624691 1177020048 /nfs/dbraw/zinc/02/00/48/1177020048.db2.gz LZRNJSGTOVZBGL-BZSNNMDCSA-N 1 3 339.524 2.159 10 0 EEAEHO CC(C)OCCC[N@@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001266753007 1177354002 /nfs/dbraw/zinc/35/40/02/1177354002.db2.gz YYPASFAFIGGRQW-QGZVFWFLSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)OCCC[N@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001266753007 1177354010 /nfs/dbraw/zinc/35/40/10/1177354010.db2.gz YYPASFAFIGGRQW-QGZVFWFLSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)CC[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001267116459 1178279356 /nfs/dbraw/zinc/27/93/56/1178279356.db2.gz BILKSVJKPONEJQ-KRWDZBQOSA-N 1 3 331.504 2.180 10 0 EEAEHO Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)CN3CC[C@H](C)C3)C2)cs1 ZINC001481110708 1179763584 /nfs/dbraw/zinc/76/35/84/1179763584.db2.gz AUEVARLCOVXSEP-HOCLYGCPSA-N 1 3 335.517 2.336 10 0 EEAEHO Cc1cc(C[N@@H+]2CC[C@@H](CNC(=O)CN3CC[C@H](C)C3)C2)cs1 ZINC001481110708 1179763589 /nfs/dbraw/zinc/76/35/89/1179763589.db2.gz AUEVARLCOVXSEP-HOCLYGCPSA-N 1 3 335.517 2.336 10 0 EEAEHO Cc1cc(CNCCN(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)sn1 ZINC001481246082 1180437296 /nfs/dbraw/zinc/43/72/96/1180437296.db2.gz PGPDNQRVNORKOJ-GOEBONIOSA-N 1 3 336.505 2.016 10 0 EEAEHO Cc1cc(CNCCN(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)sn1 ZINC001481246082 1180437299 /nfs/dbraw/zinc/43/72/99/1180437299.db2.gz PGPDNQRVNORKOJ-GOEBONIOSA-N 1 3 336.505 2.016 10 0 EEAEHO Cc1cncc(C[NH2+]CCC2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001267921168 1180767713 /nfs/dbraw/zinc/76/77/13/1180767713.db2.gz KTWRPQCWXURGBZ-UHFFFAOYSA-N 1 3 346.519 2.449 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCC(F)(F)F ZINC001268159488 1181870578 /nfs/dbraw/zinc/87/05/78/1181870578.db2.gz NCFUWWWPIQUVGV-UONOGXRCSA-N 1 3 335.414 2.394 10 0 EEAEHO C[C@H](CCNCc1cc(C2CC2)no1)NC(=O)C12CCC[NH+]1CCC2 ZINC001268380707 1182408151 /nfs/dbraw/zinc/40/81/51/1182408151.db2.gz ZXCSHLFGFDRRES-CQSZACIVSA-N 1 3 346.475 2.165 10 0 EEAEHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1cc(C)ccc1OC ZINC001481867144 1182837495 /nfs/dbraw/zinc/83/74/95/1182837495.db2.gz AZJNEGLXTQUANH-QGZVFWFLSA-N 1 3 345.487 2.084 10 0 EEAEHO O=C(CN1CCCC1)N1CCC(CC[NH2+]CC2CC(F)(F)C2)CC1 ZINC001482008459 1183132014 /nfs/dbraw/zinc/13/20/14/1183132014.db2.gz UCNHUYTWHPNMFB-UHFFFAOYSA-N 1 3 343.462 2.346 10 0 EEAEHO CC1CCN(CC(=O)NC/C=C/C[NH2+]CCc2ccccc2F)CC1 ZINC001268609286 1183517983 /nfs/dbraw/zinc/51/79/83/1183517983.db2.gz PYYCEMJKUNYXSH-SNAWJCMRSA-N 1 3 347.478 2.362 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC/C=C\C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001268620439 1183538586 /nfs/dbraw/zinc/53/85/86/1183538586.db2.gz WXIHIVQXPCPKRE-ZZKXABKFSA-N 1 3 345.274 2.107 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)CC[NH+]1CCCCC1 ZINC001268630230 1183555358 /nfs/dbraw/zinc/55/53/58/1183555358.db2.gz HEJDZIRMSJNHMK-ARJAWSKDSA-N 1 3 330.476 2.028 10 0 EEAEHO COc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCCN2C)c1 ZINC001268811185 1183726460 /nfs/dbraw/zinc/72/64/60/1183726460.db2.gz LSYBDQJYOUGBQD-SFHVURJKSA-N 1 3 333.476 2.118 10 0 EEAEHO CN(CCCNCc1ccc(F)cc1F)C(=O)C1(C[NH+](C)C)CC1 ZINC001268826009 1183744427 /nfs/dbraw/zinc/74/44/27/1183744427.db2.gz PLGVYRASYHXAOU-UHFFFAOYSA-N 1 3 339.430 2.245 10 0 EEAEHO CC(C)OCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001270144100 1184881114 /nfs/dbraw/zinc/88/11/14/1184881114.db2.gz PUSWBIZSQUXNBZ-ROUUACIJSA-N 1 3 339.524 2.255 10 0 EEAEHO COCCC[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CCCC1 ZINC001270798294 1185395286 /nfs/dbraw/zinc/39/52/86/1185395286.db2.gz BIAVMCGPXDQYPR-QGZVFWFLSA-N 1 3 339.524 2.304 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CN1Cc1ccccc1 ZINC000290427210 1185525681 /nfs/dbraw/zinc/52/56/81/1185525681.db2.gz GVOUORGUURDJTL-NBMJBFSESA-N 1 3 329.488 2.496 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CN1Cc1ccccc1 ZINC000290427210 1185525687 /nfs/dbraw/zinc/52/56/87/1185525687.db2.gz GVOUORGUURDJTL-NBMJBFSESA-N 1 3 329.488 2.496 10 0 EEAEHO Cc1ncc(CNC[C@H]2CCC[C@H]2NC(=O)CCC[NH+]2CCCC2)o1 ZINC001482698932 1187668961 /nfs/dbraw/zinc/66/89/61/1187668961.db2.gz UAKVMDDSDLQORV-SJLPKXTDSA-N 1 3 348.491 2.234 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001483504835 1190518245 /nfs/dbraw/zinc/51/82/45/1190518245.db2.gz GYRZVJCFOSWESH-INIZCTEOSA-N 1 3 340.899 2.259 10 0 EEAEHO C[NH+](C)CCCCC(=O)NC[C@@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001483694276 1190769060 /nfs/dbraw/zinc/76/90/60/1190769060.db2.gz VGWVNTHLZJFKFG-CABCVRRESA-N 1 3 331.451 2.344 10 0 EEAEHO Cc1ncc(CNCC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)o1 ZINC001272547680 1190875137 /nfs/dbraw/zinc/87/51/37/1190875137.db2.gz YFQUTGWXITZSAU-UAGQMJEPSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1ncc(CNCC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)o1 ZINC001272547680 1190875139 /nfs/dbraw/zinc/87/51/39/1190875139.db2.gz YFQUTGWXITZSAU-UAGQMJEPSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1ccncc1CNC1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001483744321 1190896480 /nfs/dbraw/zinc/89/64/80/1190896480.db2.gz UQDWKYYDKRLUSM-MSOLQXFVSA-N 1 3 342.487 2.145 10 0 EEAEHO Cc1ccncc1CNC1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001483744321 1190896485 /nfs/dbraw/zinc/89/64/85/1190896485.db2.gz UQDWKYYDKRLUSM-MSOLQXFVSA-N 1 3 342.487 2.145 10 0 EEAEHO C[C@H](F)CC[NH2+]C1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001483767989 1191001743 /nfs/dbraw/zinc/00/17/43/1191001743.db2.gz SWKAMLKYRGWAGQ-GUYCJALGSA-N 1 3 331.451 2.185 10 0 EEAEHO CN(CC(=O)N1CCC[C@H]1C[NH2+]CC[C@@H]1CCCCO1)C1CCC1 ZINC001483934378 1191123486 /nfs/dbraw/zinc/12/34/86/1191123486.db2.gz PEJWOCQEOHNXCV-ROUUACIJSA-N 1 3 337.508 2.011 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@]1(C)CCN(Cc2ccc3ncccc3c2)C1 ZINC001484057724 1191185603 /nfs/dbraw/zinc/18/56/03/1191185603.db2.gz LSZLQBPZIRKAOL-HXUWFJFHSA-N 1 3 340.471 2.267 10 0 EEAEHO Cc1ccc(F)cc1C[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484538669 1191405044 /nfs/dbraw/zinc/40/50/44/1191405044.db2.gz FPEFKIAGLOSMIG-HNNXBMFYSA-N 1 3 344.434 2.428 10 0 EEAEHO CCOCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1C ZINC001486182146 1193718939 /nfs/dbraw/zinc/71/89/39/1193718939.db2.gz XLLHLSXQBADBFQ-IAGOWNOFSA-N 1 3 339.524 2.257 10 0 EEAEHO CCOCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1C ZINC001486182146 1193718940 /nfs/dbraw/zinc/71/89/40/1193718940.db2.gz XLLHLSXQBADBFQ-IAGOWNOFSA-N 1 3 339.524 2.257 10 0 EEAEHO CN(C)c1ccccc1CN1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001410029238 1197471787 /nfs/dbraw/zinc/47/17/87/1197471787.db2.gz NNAGAUSFCVYCKG-GOSISDBHSA-N 1 3 346.519 2.031 10 0 EEAEHO Cc1ccncc1CN[C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001410406841 1197814421 /nfs/dbraw/zinc/81/44/21/1197814421.db2.gz JFQMQRDCXDTRCU-IEBWSBKVSA-N 1 3 346.519 2.447 10 0 EEAEHO Cc1ccncc1CN[C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001410406841 1197814424 /nfs/dbraw/zinc/81/44/24/1197814424.db2.gz JFQMQRDCXDTRCU-IEBWSBKVSA-N 1 3 346.519 2.447 10 0 EEAEHO Cc1ccncc1CN[C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001410406845 1197814568 /nfs/dbraw/zinc/81/45/68/1197814568.db2.gz JFQMQRDCXDTRCU-PKOBYXMFSA-N 1 3 346.519 2.447 10 0 EEAEHO Cc1ccncc1CN[C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001410406845 1197814577 /nfs/dbraw/zinc/81/45/77/1197814577.db2.gz JFQMQRDCXDTRCU-PKOBYXMFSA-N 1 3 346.519 2.447 10 0 EEAEHO Cc1cccc(CN2CCO[C@@H](CNC3CC[NH+](C4CC4)CC3)C2)c1 ZINC000866557033 1201547223 /nfs/dbraw/zinc/54/72/23/1201547223.db2.gz GTFXTOVJHODJHO-NRFANRHFSA-N 1 3 343.515 2.412 10 0 EEAEHO Cn1ncc(CCC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)n1 ZINC000886614177 1202534253 /nfs/dbraw/zinc/53/42/53/1202534253.db2.gz OXVNXSDVHDRIGY-IHPCNDPISA-N 1 3 339.487 2.390 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001274028034 1204333930 /nfs/dbraw/zinc/33/39/30/1204333930.db2.gz ZHXCJWXRZUJKJR-PYTPGESOSA-N 1 3 330.476 2.025 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001274028034 1204333933 /nfs/dbraw/zinc/33/39/33/1204333933.db2.gz ZHXCJWXRZUJKJR-PYTPGESOSA-N 1 3 330.476 2.025 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccnc(Cl)c2)[C@@H](C)C1 ZINC001274296681 1204988600 /nfs/dbraw/zinc/98/86/00/1204988600.db2.gz FMTFXCCYUKDKET-ZFWWWQNUSA-N 1 3 338.883 2.012 10 0 EEAEHO C[NH+](C)CC1(C(=O)NC/C=C\CN[C@@H]2CCc3ccc(F)cc32)CC1 ZINC001274318222 1204996131 /nfs/dbraw/zinc/99/61/31/1204996131.db2.gz MJFPNTYQJIGTQK-DDKKJVIOSA-N 1 3 345.462 2.417 10 0 EEAEHO C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)NCc1ccc(Cl)nc1 ZINC001275472803 1205376311 /nfs/dbraw/zinc/37/63/11/1205376311.db2.gz XYUPLDMAPXQELG-QWHCGFSZSA-N 1 3 326.872 2.060 10 0 EEAEHO Cn1cc(N2CCC[C@H](N[C@@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cn1 ZINC000925520963 1206122477 /nfs/dbraw/zinc/12/24/77/1206122477.db2.gz YXYPPFLGDDNUFN-YTQUADARSA-N 1 3 331.508 2.147 10 0 EEAEHO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCNC[C@H]3C3CCCC3)C2)cn1 ZINC000925520963 1206122479 /nfs/dbraw/zinc/12/24/79/1206122479.db2.gz YXYPPFLGDDNUFN-YTQUADARSA-N 1 3 331.508 2.147 10 0 EEAEHO O=C1O[C@H](CN[C@H]2CSCCc3ccccc32)CC12CC[NH2+]CC2 ZINC000925853769 1206161382 /nfs/dbraw/zinc/16/13/82/1206161382.db2.gz REOWOOZASWEUEW-RDJZCZTQSA-N 1 3 346.496 2.292 10 0 EEAEHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)c(F)c(F)c1 ZINC000925857433 1206162199 /nfs/dbraw/zinc/16/21/99/1206162199.db2.gz VHAPJVTXPVOHLJ-PWSUYJOCSA-N 1 3 342.361 2.440 10 0 EEAEHO CN(C)[C@H](CNC(=O)C[NH2+]C1([C@@H]2CCCO2)CCC1)c1ccccc1 ZINC001413087130 1234033894 /nfs/dbraw/zinc/03/38/94/1234033894.db2.gz UQRPQHKRPFPXCY-MSOLQXFVSA-N 1 3 345.487 2.097 10 0 EEAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CCO[C@@]34CCOC4)C2)cc1 ZINC000903088708 1239702776 /nfs/dbraw/zinc/70/27/76/1239702776.db2.gz LZHVDRYBVRKJSN-VAMGGRTRSA-N 1 3 330.472 2.089 10 0 EEAEHO CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903427099 1240445156 /nfs/dbraw/zinc/44/51/56/1240445156.db2.gz SIGBHEIEUJKFQR-CABCVRRESA-N 1 3 332.448 2.033 10 0 EEAEHO COc1ccccc1CC(C)(C)[NH2+]C[C@@H](CN)Cc1cnn(C)c1C ZINC000903897840 1242388125 /nfs/dbraw/zinc/38/81/25/1242388125.db2.gz HMBOCJNPOIBNMP-MRXNPFEDSA-N 1 3 344.503 2.465 10 0 EEAEHO CN(CCC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)CN1CCCC1 ZINC001276386427 1255462504 /nfs/dbraw/zinc/46/25/04/1255462504.db2.gz AOCPEMPAKLYQHS-HNNXBMFYSA-N 1 3 331.451 2.346 10 0 EEAEHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C1)C1CCC1 ZINC001491025679 1258584554 /nfs/dbraw/zinc/58/45/54/1258584554.db2.gz LTEFWHHLSBVTET-CALCHBBNSA-N 1 3 333.451 2.377 10 0 EEAEHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CCc1ccccc1Cl)N(C)C ZINC001491493872 1259144542 /nfs/dbraw/zinc/14/45/42/1259144542.db2.gz AJVSUKOVUXRRSH-CZUORRHYSA-N 1 3 325.884 2.317 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N(CC)CCNCc2cncc(C)c2)C1 ZINC001273568952 1280004562 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CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)Cc1cnccc1C ZINC001490281046 1291109496 /nfs/dbraw/zinc/10/94/96/1291109496.db2.gz DXMBGDMERXKTAN-SFHVURJKSA-N 1 3 332.492 2.203 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1cnccc1C ZINC001490281046 1291109507 /nfs/dbraw/zinc/10/95/07/1291109507.db2.gz DXMBGDMERXKTAN-SFHVURJKSA-N 1 3 332.492 2.203 10 0 EEAEHO CN(C(=O)C1(N)CC2(CCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000852865476 1292219066 /nfs/dbraw/zinc/21/90/66/1292219066.db2.gz DNBJKZWKZWHTID-UHFFFAOYSA-N 1 3 331.460 2.251 10 0 EEAEHO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc(Cl)n1 ZINC000855346537 1293183937 /nfs/dbraw/zinc/18/39/37/1293183937.db2.gz FKCIFRYDJHKKEI-ZDUSSCGKSA-N 1 3 326.872 2.045 10 0 EEAEHO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc(Cl)n1 ZINC000855346537 1293183938 /nfs/dbraw/zinc/18/39/38/1293183938.db2.gz FKCIFRYDJHKKEI-ZDUSSCGKSA-N 1 3 326.872 2.045 10 0 EEAEHO C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855345862 1293184179 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339.524 2.068 10 0 EEAEHO CC(C)COCCN(C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001320060452 1332817838 /nfs/dbraw/zinc/81/78/38/1332817838.db2.gz YEJMWOZAQLEGOZ-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)COCCN(C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001320060452 1332817842 /nfs/dbraw/zinc/81/78/42/1332817842.db2.gz YEJMWOZAQLEGOZ-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1cnccc1C ZINC001321083464 1333014997 /nfs/dbraw/zinc/01/49/97/1333014997.db2.gz KCOPBYONPMSTLU-SHCNBLLESA-N 1 3 330.476 2.026 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1cnccc1C ZINC001321083464 1333015001 /nfs/dbraw/zinc/01/50/01/1333015001.db2.gz KCOPBYONPMSTLU-SHCNBLLESA-N 1 3 330.476 2.026 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCCC(F)(F)F ZINC001321134591 1333027092 /nfs/dbraw/zinc/02/70/92/1333027092.db2.gz FISKNMSCGANNCS-RDFMZFSFSA-N 1 3 335.414 2.321 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCCC(F)(F)F ZINC001321134591 1333027094 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EEAEHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCF)C(C)(C)C1 ZINC001332427033 1335822137 /nfs/dbraw/zinc/82/21/37/1335822137.db2.gz HSXCTOKCJWSHPY-JKSUJKDBSA-N 1 3 327.488 2.436 10 0 EEAEHO C[C@H]1C[C@@H](C[N@H+]2CC=C(CNC(=O)C3(N(C)C)CCC3)CC2)CCO1 ZINC001333352263 1336017042 /nfs/dbraw/zinc/01/70/42/1336017042.db2.gz YYDKGLVWSWXNTJ-WMZOPIPTSA-N 1 3 349.519 2.034 10 0 EEAEHO C[C@H]1C[C@@H](C[N@@H+]2CC=C(CNC(=O)C3(N(C)C)CCC3)CC2)CCO1 ZINC001333352263 1336017044 /nfs/dbraw/zinc/01/70/44/1336017044.db2.gz YYDKGLVWSWXNTJ-WMZOPIPTSA-N 1 3 349.519 2.034 10 0 EEAEHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001433587305 1341633210 /nfs/dbraw/zinc/63/32/10/1341633210.db2.gz AVNAMDSTXIKTMS-GUDVDZBRSA-N 1 3 329.488 2.498 10 0 EEAEHO C[C@H](CC[NH2+]CCc1ccccc1F)NC(=O)CN1CC[C@@H](C)C1 ZINC001668214684 1355901038 /nfs/dbraw/zinc/90/10/38/1355901038.db2.gz NGRHGNWFLLZXAI-HZPDHXFCSA-N 1 3 335.467 2.194 10 0 EEAEHO COc1ccc(C)cc1C[NH2+]CC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001668214976 1355901049 /nfs/dbraw/zinc/90/10/49/1355901049.db2.gz SYHBMGKLJGUPOU-DLBZAZTESA-N 1 3 347.503 2.330 10 0 EEAEHO COC(=O)/C=C\c1ccc(OCCN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1 ZINC001560055976 1342506806 /nfs/dbraw/zinc/50/68/06/1342506806.db2.gz TXKFJQNDKGOCBB-JJEILDCCSA-N 1 3 344.455 2.135 10 0 EEAEHO COC(=O)/C=C\c1ccc(OCCN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1 ZINC001560055976 1342506808 /nfs/dbraw/zinc/50/68/08/1342506808.db2.gz TXKFJQNDKGOCBB-JJEILDCCSA-N 1 3 344.455 2.135 10 0 EEAEHO CCN(CC[NH2+]CCc1ccccc1)C(=O)CN1CCC(C)CC1 ZINC001568786265 1342856007 /nfs/dbraw/zinc/85/60/07/1342856007.db2.gz SUKADUUXVBPBMV-UHFFFAOYSA-N 1 3 331.504 2.399 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCOCC1 ZINC001570092762 1343011579 /nfs/dbraw/zinc/01/15/79/1343011579.db2.gz KXCCMRVJDGCAIM-GOSISDBHSA-N 1 3 339.524 2.116 10 0 EEAEHO C[C@@H](O)CCC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C(C)(C)C ZINC001677272429 1357305327 /nfs/dbraw/zinc/30/53/27/1357305327.db2.gz RBTGYXUZIICVAV-CVEARBPZSA-N 1 3 341.540 2.142 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EEAEHO COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1C ZINC001699106282 1405260615 /nfs/dbraw/zinc/26/06/15/1405260615.db2.gz LPMLFSFJESXMCU-OAHLLOKOSA-N 1 3 347.503 2.472 10 0 EEAEHO Cc1cc(CNCC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)on1 ZINC001699140753 1405290851 /nfs/dbraw/zinc/29/08/51/1405290851.db2.gz ORZUFLVIJYIPHR-WMLDXEAASA-N 1 3 336.480 2.230 10 0 EEAEHO Cc1cc(CNCC[C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)on1 ZINC001699140753 1405290860 /nfs/dbraw/zinc/29/08/60/1405290860.db2.gz ORZUFLVIJYIPHR-WMLDXEAASA-N 1 3 336.480 2.230 10 0 EEAEHO CN1CCN(Cc2ccc(C[NH2+]CC3(O)CCCCC3)cc2)CC1 ZINC000818956402 785343259 /nfs/dbraw/zinc/34/32/59/785343259.db2.gz LBZQNPXECWXXOV-UHFFFAOYSA-N 1 3 331.504 2.219 10 0 EEAEHO CCCOc1ccc(CNC(=O)CN2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923497654 789672481 /nfs/dbraw/zinc/67/24/81/789672481.db2.gz ICNXTCBKSSRPHB-RDJZCZTQSA-N 1 3 333.476 2.008 10 0 EEAEHO COc1ccccc1[C@H](C)N(C)C(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498447 789679226 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CO[C@@H](C[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1)C1CCC1 ZINC001437358312 1089586757 /nfs/dbraw/zinc/58/67/57/1089586757.db2.gz OSIWTRCROHAGSN-ROUUACIJSA-N 1 3 339.524 2.065 10 0 EEAEHO CO[C@@H](C[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1)C1CCC1 ZINC001437358312 1089586771 /nfs/dbraw/zinc/58/67/71/1089586771.db2.gz OSIWTRCROHAGSN-ROUUACIJSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)[C@@H](C(=O)N1CC[C@@H](CN(C)CCF)C1)[NH+]1CCCCC1 ZINC001437994342 1090593194 /nfs/dbraw/zinc/59/31/94/1090593194.db2.gz WHDYCOWZEICZGK-IRXDYDNUSA-N 1 3 327.488 2.247 10 0 EEAEHO CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)NCc1cnc(C)nc1 ZINC001438335842 1090810489 /nfs/dbraw/zinc/81/04/89/1090810489.db2.gz ACUBYGADLLZCLG-YJBOKZPZSA-N 1 3 347.507 2.034 10 0 EEAEHO C[C@H](C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C(=O)CN(C)C1CCC1 ZINC001438648176 1091131862 /nfs/dbraw/zinc/13/18/62/1091131862.db2.gz FWIFENNQRJIIQW-KGLIPLIRSA-N 1 3 331.451 2.343 10 0 EEAEHO COc1ccc(C)cc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCCN1C ZINC001438659913 1091148793 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ZINC001448454394 1093463823 /nfs/dbraw/zinc/46/38/23/1093463823.db2.gz FLXMPLIUZNZGTN-OSYLJGHBSA-N 1 3 335.517 2.192 10 0 EEAEHO C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)NCc1ccccn1 ZINC001448721913 1093793425 /nfs/dbraw/zinc/79/34/25/1093793425.db2.gz CEUOSMPKIRQRQR-IRXDYDNUSA-N 1 3 332.492 2.283 10 0 EEAEHO Cc1cccnc1CN1CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001449374371 1094343993 /nfs/dbraw/zinc/34/39/93/1094343993.db2.gz RCWNKTZSGHGRBG-KRWDZBQOSA-N 1 3 346.519 2.449 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2F)C1)N(C)C ZINC001441379642 1094917795 /nfs/dbraw/zinc/91/77/95/1094917795.db2.gz PFSSSCGCQWIJNH-NOLJZWGESA-N 1 3 339.430 2.289 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)NCc2cccnc2)C1 ZINC001441566969 1095326028 /nfs/dbraw/zinc/32/60/28/1095326028.db2.gz LMLVYZPTMQOAAD-SJLPKXTDSA-N 1 3 332.492 2.140 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)NCc2cccnc2)C1 ZINC001441566969 1095326042 /nfs/dbraw/zinc/32/60/42/1095326042.db2.gz 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C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000425998672 241199532 /nfs/dbraw/zinc/19/95/32/241199532.db2.gz KXRLWZPECVHYHJ-SJLPKXTDSA-N 1 3 331.504 2.420 10 0 EEAEHO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000425998672 241199538 /nfs/dbraw/zinc/19/95/38/241199538.db2.gz KXRLWZPECVHYHJ-SJLPKXTDSA-N 1 3 331.504 2.420 10 0 EEAEHO [NH3+]C[C@@H](c1cccc(Br)c1)N1CCN(CC2CC2)CC1 ZINC000048991919 204362606 /nfs/dbraw/zinc/36/26/06/204362606.db2.gz DGIZDSULKXGDFT-INIZCTEOSA-N 1 3 338.293 2.477 10 0 EEAEHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000303428057 285198521 /nfs/dbraw/zinc/19/85/21/285198521.db2.gz BFXOQJVUOZOTBQ-RBUKOAKNSA-N 1 3 346.519 2.333 10 0 EEAEHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000303428057 285198522 /nfs/dbraw/zinc/19/85/22/285198522.db2.gz BFXOQJVUOZOTBQ-RBUKOAKNSA-N 1 3 346.519 2.333 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)C(C)C ZINC000465975773 285244324 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Cc1nccn1C[C@@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192753397 160172920 /nfs/dbraw/zinc/17/29/20/160172920.db2.gz ORHGIUKTNXDCSR-IBGZPJMESA-N 1 3 333.524 2.072 10 0 EEAEHO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192753397 160172921 /nfs/dbraw/zinc/17/29/21/160172921.db2.gz ORHGIUKTNXDCSR-IBGZPJMESA-N 1 3 333.524 2.072 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000245652847 160246231 /nfs/dbraw/zinc/24/62/31/160246231.db2.gz CCQNFDPVINEHEC-QZTJIDSGSA-N 1 3 334.508 2.297 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000245652847 160246233 /nfs/dbraw/zinc/24/62/33/160246233.db2.gz CCQNFDPVINEHEC-QZTJIDSGSA-N 1 3 334.508 2.297 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000246256666 160270937 /nfs/dbraw/zinc/27/09/37/160270937.db2.gz QAYWQYRKCUDVAD-PZJWPPBQSA-N 1 3 344.547 2.124 10 0 EEAEHO C[NH+](C)CCOCCN[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000359004420 164033952 /nfs/dbraw/zinc/03/39/52/164033952.db2.gz PKVUNXYEUOFXJC-SFHVURJKSA-N 1 3 328.460 2.418 10 0 EEAEHO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCN2CCC1CC2 ZINC000376810464 167398481 /nfs/dbraw/zinc/39/84/81/167398481.db2.gz BPSHTGBDTATJAC-IBGZPJMESA-N 1 3 342.487 2.313 10 0 EEAEHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000349819592 287342877 /nfs/dbraw/zinc/34/28/77/287342877.db2.gz JOHIYEDHUMRIRI-WBVHZDCISA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000349819592 287342883 /nfs/dbraw/zinc/34/28/83/287342883.db2.gz JOHIYEDHUMRIRI-WBVHZDCISA-N 1 3 336.524 2.375 10 0 EEAEHO CCC[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)N(C)C ZINC000192231233 276021380 /nfs/dbraw/zinc/02/13/80/276021380.db2.gz RVBSRXJDOGOTKZ-OALUTQOASA-N 1 3 347.503 2.124 10 0 EEAEHO CCC[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N(C)C ZINC000192231233 276021381 /nfs/dbraw/zinc/02/13/81/276021381.db2.gz RVBSRXJDOGOTKZ-OALUTQOASA-N 1 3 347.503 2.124 10 0 EEAEHO COC(=O)CCC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000116398640 277315476 /nfs/dbraw/zinc/31/54/76/277315476.db2.gz LUAAUHUNMJECPR-LJQANCHMSA-N 1 3 348.487 2.317 10 0 EEAEHO COC(=O)CCC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000116398640 277315477 /nfs/dbraw/zinc/31/54/77/277315477.db2.gz LUAAUHUNMJECPR-LJQANCHMSA-N 1 3 348.487 2.317 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000457917748 289206856 /nfs/dbraw/zinc/20/68/56/289206856.db2.gz UWEYCGHNDKLTIZ-OALUTQOASA-N 1 3 346.519 2.190 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000457917748 289206859 /nfs/dbraw/zinc/20/68/59/289206859.db2.gz UWEYCGHNDKLTIZ-OALUTQOASA-N 1 3 346.519 2.190 10 0 EEAEHO CC[C@H](CO)N1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)CC1 ZINC000298483811 294508992 /nfs/dbraw/zinc/50/89/92/294508992.db2.gz ADCUSFCPUNCNBW-CQSZACIVSA-N 1 3 345.443 2.145 10 0 EEAEHO Cc1n[nH]c(C)c1C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397574338 312446707 /nfs/dbraw/zinc/44/67/07/312446707.db2.gz BWMHZFRTEUKOBC-UHFFFAOYSA-N 1 3 328.460 2.143 10 0 EEAEHO Cc1ccccc1CC(=O)N1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414700021 313066419 /nfs/dbraw/zinc/06/64/19/313066419.db2.gz UMAKRWRKBKPKBT-QZTJIDSGSA-N 1 3 329.488 2.070 10 0 EEAEHO CN(C)CCc1ccccc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415564132 313144364 /nfs/dbraw/zinc/14/43/64/313144364.db2.gz HUVWHMBZAVRERP-IBGZPJMESA-N 1 3 330.476 2.398 10 0 EEAEHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416838878 313330793 /nfs/dbraw/zinc/33/07/93/313330793.db2.gz JJADVVLKUCSUBG-CVEARBPZSA-N 1 3 348.516 2.421 10 0 EEAEHO C[NH+](C)[C@H](CNC(=O)NC[C@H](N)c1ccccc1)C1CCCCC1 ZINC000417025089 313399938 /nfs/dbraw/zinc/39/99/38/313399938.db2.gz XNNJAXOIRLFTLO-ZWKOTPCHSA-N 1 3 332.492 2.496 10 0 EEAEHO CN(C)Cc1cccc(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000417073341 313413664 /nfs/dbraw/zinc/41/36/64/313413664.db2.gz SLHOKFLKAYZEOA-LJQANCHMSA-N 1 3 330.476 2.033 10 0 EEAEHO C[C@H]([NH3+])[C@H](C)NC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000418697004 313883167 /nfs/dbraw/zinc/88/31/67/313883167.db2.gz BHVDXNZPMAUERR-GJZGRUSLSA-N 1 3 333.480 2.065 10 0 EEAEHO C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000498014738 316332552 /nfs/dbraw/zinc/33/25/52/316332552.db2.gz KXZYLTVRDNNCQP-SQWLQELKSA-N 1 3 338.521 2.380 10 0 EEAEHO C[C@]1(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)COc2ccccc2O1 ZINC000527926507 317287097 /nfs/dbraw/zinc/28/70/97/317287097.db2.gz DKZALLYILCFMQG-PXNSSMCTSA-N 1 3 346.471 2.450 10 0 EEAEHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCN(C)c1ccncc1 ZINC000543715479 318168023 /nfs/dbraw/zinc/16/80/23/318168023.db2.gz OACQUSDHIQNLQE-BBWFWOEESA-N 1 3 332.492 2.391 10 0 EEAEHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCN(C)c1ccncc1 ZINC000543715479 318168025 /nfs/dbraw/zinc/16/80/25/318168025.db2.gz OACQUSDHIQNLQE-BBWFWOEESA-N 1 3 332.492 2.391 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)c1coc(C2CCCCC2)n1 ZINC000567410036 319377666 /nfs/dbraw/zinc/37/76/66/319377666.db2.gz QUYLDTLKRVDNBS-UHFFFAOYSA-N 1 3 336.480 2.288 10 0 EEAEHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000575027441 320080773 /nfs/dbraw/zinc/08/07/73/320080773.db2.gz OMQVXPYWCLRMNZ-HKUYNNGSSA-N 1 3 336.524 2.282 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)N(C)CCC[NH+](C)C)N(C)C)cc1 ZINC000185239260 323434579 /nfs/dbraw/zinc/43/45/79/323434579.db2.gz GHNWDICEFXTHGC-SFHVURJKSA-N 1 3 334.508 2.445 10 0 EEAEHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCN3CCC2CC3)C1 ZINC000341269657 465085130 /nfs/dbraw/zinc/08/51/30/465085130.db2.gz MBPNAKJUAJNYNY-SJLPKXTDSA-N 1 3 342.487 2.312 10 0 EEAEHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCN3CCC2CC3)C1 ZINC000341269657 465085132 /nfs/dbraw/zinc/08/51/32/465085132.db2.gz MBPNAKJUAJNYNY-SJLPKXTDSA-N 1 3 342.487 2.312 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000154602854 462787661 /nfs/dbraw/zinc/78/76/61/462787661.db2.gz QEVSWLMNFLMTMG-AEFFLSMTSA-N 1 3 345.487 2.183 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000154602854 462787665 /nfs/dbraw/zinc/78/76/65/462787665.db2.gz QEVSWLMNFLMTMG-AEFFLSMTSA-N 1 3 345.487 2.183 10 0 EEAEHO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000069471261 463254300 /nfs/dbraw/zinc/25/43/00/463254300.db2.gz MGMHYPKPSLMYEB-MRXNPFEDSA-N 1 3 333.476 2.089 10 0 EEAEHO CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000069471261 463254305 /nfs/dbraw/zinc/25/43/05/463254305.db2.gz MGMHYPKPSLMYEB-MRXNPFEDSA-N 1 3 333.476 2.089 10 0 EEAEHO Cc1ccc2[nH]cc(CCC(=O)N(CCN(C)C)CC[NH+](C)C)c2c1 ZINC000073428062 463610976 /nfs/dbraw/zinc/61/09/76/463610976.db2.gz PGSAAXKROHYKRQ-UHFFFAOYSA-N 1 3 344.503 2.361 10 0 EEAEHO NC1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCOCC1 ZINC000261880132 463886793 /nfs/dbraw/zinc/88/67/93/463886793.db2.gz PDTYOXUFNQCJAD-UHFFFAOYSA-N 1 3 345.487 2.187 10 0 EEAEHO CN(Cc1cnn(C)c1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000171589600 463888216 /nfs/dbraw/zinc/88/82/16/463888216.db2.gz RVURMMKUBKAWBN-HXUWFJFHSA-N 1 3 342.487 2.298 10 0 EEAEHO C[NH+](C)CCOc1cccc(N[C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000261895576 463891127 /nfs/dbraw/zinc/89/11/27/463891127.db2.gz HANAHIQKAZMFJR-OTWHNJEPSA-N 1 3 333.476 2.196 10 0 EEAEHO c1nn(Cc2ccccc2)cc1CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261959033 463910391 /nfs/dbraw/zinc/91/03/91/463910391.db2.gz PFYSGJHOMAUNQJ-ZCNNSNEGSA-N 1 3 340.471 2.178 10 0 EEAEHO CC[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000262661063 464036904 /nfs/dbraw/zinc/03/69/04/464036904.db2.gz GJWGACQRHBGNMY-YTQUADARSA-N 1 3 329.488 2.457 10 0 EEAEHO C[C@@H](CC(=O)N[C@H](Cc1ccccc1)CN(C)C)C1CC[NH2+]CC1 ZINC000237510711 464332244 /nfs/dbraw/zinc/33/22/44/464332244.db2.gz ITWJQJYUWDVEIM-QFBILLFUSA-N 1 3 331.504 2.301 10 0 EEAEHO O=C(NCC1(N2CCCCC2)CCOCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238002562 464418260 /nfs/dbraw/zinc/41/82/60/464418260.db2.gz RBEXDLOGZXIBOC-BZSNNMDCSA-N 1 3 349.519 2.058 10 0 EEAEHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CC(C)C)CN(C)C)C1 ZINC000245585458 464496763 /nfs/dbraw/zinc/49/67/63/464496763.db2.gz AGWCJIUJNPDWRW-DLBZAZTESA-N 1 3 326.529 2.336 10 0 EEAEHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CC(C)C)CN(C)C)C1 ZINC000245585458 464496766 /nfs/dbraw/zinc/49/67/66/464496766.db2.gz AGWCJIUJNPDWRW-DLBZAZTESA-N 1 3 326.529 2.336 10 0 EEAEHO CC[NH+](CC)CCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245649067 464502184 /nfs/dbraw/zinc/50/21/84/464502184.db2.gz MJARVHTWWNNDEU-ROUUACIJSA-N 1 3 332.492 2.463 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000246565086 464601384 /nfs/dbraw/zinc/60/13/84/464601384.db2.gz ZEQGMXBZAYFTNN-XDNAFOTISA-N 1 3 338.540 2.479 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000246565086 464601390 /nfs/dbraw/zinc/60/13/90/464601390.db2.gz ZEQGMXBZAYFTNN-XDNAFOTISA-N 1 3 338.540 2.479 10 0 EEAEHO CN(C)C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000246915575 464633015 /nfs/dbraw/zinc/63/30/15/464633015.db2.gz GGMNHUSVTUBNBH-KURKYZTESA-N 1 3 332.492 2.461 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCN(C)Cc1ccccc1 ZINC000177424898 465011591 /nfs/dbraw/zinc/01/15/91/465011591.db2.gz XQBCQPJPOMJMTD-GOSISDBHSA-N 1 3 332.492 2.244 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCN(C)Cc1ccccc1 ZINC000177424898 465011593 /nfs/dbraw/zinc/01/15/93/465011593.db2.gz XQBCQPJPOMJMTD-GOSISDBHSA-N 1 3 332.492 2.244 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371227948 465655911 /nfs/dbraw/zinc/65/59/11/465655911.db2.gz FMCFVZROMCFXPI-SJLPKXTDSA-N 1 3 345.487 2.231 10 0 EEAEHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCN2CCC1CC2)[NH+](C)C ZINC000357269545 465902568 /nfs/dbraw/zinc/90/25/68/465902568.db2.gz GNWMWYNUVJLDGZ-APWZRJJASA-N 1 3 344.503 2.476 10 0 EEAEHO CN1CC[C@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)[C@H]2CCC[C@H]21 ZINC000367616877 466450490 /nfs/dbraw/zinc/45/04/90/466450490.db2.gz MKOLTSBXOIVIAU-BPQIPLTHSA-N 1 3 348.466 2.020 10 0 EEAEHO C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1cnccc1N ZINC000423027438 466689894 /nfs/dbraw/zinc/68/98/94/466689894.db2.gz OZMWDTUBVSLUTB-HIFRSBDPSA-N 1 3 326.448 2.203 10 0 EEAEHO CC(C)[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccnc1 ZINC000423381103 466733596 /nfs/dbraw/zinc/73/35/96/466733596.db2.gz HRIWTBRCQZBROA-CABCVRRESA-N 1 3 330.398 2.204 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)CC1 ZINC000365722533 466918566 /nfs/dbraw/zinc/91/85/66/466918566.db2.gz IRYBENNALSYGGJ-AEFFLSMTSA-N 1 3 344.503 2.405 10 0 EEAEHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000418429778 467109230 /nfs/dbraw/zinc/10/92/30/467109230.db2.gz OAGRLMLWUOKNRE-AEFFLSMTSA-N 1 3 330.476 2.060 10 0 EEAEHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000418429778 467109232 /nfs/dbraw/zinc/10/92/32/467109232.db2.gz OAGRLMLWUOKNRE-AEFFLSMTSA-N 1 3 330.476 2.060 10 0 EEAEHO C[C@H](Cn1cc(Br)ccc1=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000414110437 467378075 /nfs/dbraw/zinc/37/80/75/467378075.db2.gz LSJGHIZVDZMJDP-BZPMIXESSA-N 1 3 342.281 2.072 10 0 EEAEHO C[C@H](Cn1cc(Br)ccc1=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000414110437 467378079 /nfs/dbraw/zinc/37/80/79/467378079.db2.gz LSJGHIZVDZMJDP-BZPMIXESSA-N 1 3 342.281 2.072 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000531446163 468053589 /nfs/dbraw/zinc/05/35/89/468053589.db2.gz UKADRLNPFLXFHP-WBVHZDCISA-N 1 3 330.476 2.205 10 0 EEAEHO CC(C)C[C@H]([NH2+][C@H]1CS[C@H](C(C)C)C1)C(=O)NCCN(C)C ZINC000488434152 468086716 /nfs/dbraw/zinc/08/67/16/468086716.db2.gz OTYMKIMXIYHMGR-PMPSAXMXSA-N 1 3 329.554 2.199 10 0 EEAEHO C[NH+](C)C[C@H]1CCCCN1C(=O)CCN1CCc2ccccc2C1 ZINC000567661816 468178339 /nfs/dbraw/zinc/17/83/39/468178339.db2.gz SRYSLMBJHRPHCU-LJQANCHMSA-N 1 3 329.488 2.378 10 0 EEAEHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578742287 468249359 /nfs/dbraw/zinc/24/93/59/468249359.db2.gz PGXOVMLFOWEHLM-UYAOXDASSA-N 1 3 342.487 2.046 10 0 EEAEHO C[NH2+]CCOCCN[C@@H](C)c1ccc(I)cc1 ZINC000600708410 468627633 /nfs/dbraw/zinc/62/76/33/468627633.db2.gz COYASSXJBVOPPW-NSHDSACASA-N 1 3 348.228 2.178 10 0 EEAEHO CN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CN2CCC1CC2 ZINC000571341373 468774013 /nfs/dbraw/zinc/77/40/13/468774013.db2.gz KWBVNOYQNQXIOL-RBUKOAKNSA-N 1 3 327.472 2.061 10 0 EEAEHO CN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CN2CCC1CC2 ZINC000571341373 468774015 /nfs/dbraw/zinc/77/40/15/468774015.db2.gz KWBVNOYQNQXIOL-RBUKOAKNSA-N 1 3 327.472 2.061 10 0 EEAEHO CC(C)[N@H+](C)CC1CCN(CCc2nnnn2-c2ccccc2)CC1 ZINC000560336438 468783736 /nfs/dbraw/zinc/78/37/36/468783736.db2.gz AYLGXVBFVOKOJJ-UHFFFAOYSA-N 1 3 342.491 2.257 10 0 EEAEHO CC(C)[N@@H+](C)CC1CCN(CCc2nnnn2-c2ccccc2)CC1 ZINC000560336438 468783740 /nfs/dbraw/zinc/78/37/40/468783740.db2.gz AYLGXVBFVOKOJJ-UHFFFAOYSA-N 1 3 342.491 2.257 10 0 EEAEHO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCc3ccccc3[C@H]2CN)cc1 ZINC000572118372 468888306 /nfs/dbraw/zinc/88/83/06/468888306.db2.gz ARWRYVPMKYPGBU-AUUYWEPGSA-N 1 3 338.455 2.474 10 0 EEAEHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCN(C)C2)C1 ZINC000618929194 469474008 /nfs/dbraw/zinc/47/40/08/469474008.db2.gz SHHZOGBEEICXTK-NJAFHUGGSA-N 1 3 330.476 2.215 10 0 EEAEHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@H]2CCCN(C)C2)C1 ZINC000618929194 469474011 /nfs/dbraw/zinc/47/40/11/469474011.db2.gz SHHZOGBEEICXTK-NJAFHUGGSA-N 1 3 330.476 2.215 10 0 EEAEHO CN(Cc1ccccc1)C[C@@H](O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606540274 469617918 /nfs/dbraw/zinc/61/79/18/469617918.db2.gz FHKHYSKGDIDODY-NHCUHLMSSA-N 1 3 345.531 2.430 10 0 EEAEHO CN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)CC1(C)C ZINC000623428774 469654594 /nfs/dbraw/zinc/65/45/94/469654594.db2.gz ZZPUJIWTHHPKKV-SLFFLAALSA-N 1 3 345.531 2.332 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000617504562 469702962 /nfs/dbraw/zinc/70/29/62/469702962.db2.gz AEYHNSDDXPBVGK-HOTGVXAUSA-N 1 3 337.483 2.393 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000617504562 469702967 /nfs/dbraw/zinc/70/29/67/469702967.db2.gz AEYHNSDDXPBVGK-HOTGVXAUSA-N 1 3 337.483 2.393 10 0 EEAEHO CN(C)CCNC(=O)c1cccc(C[NH2+]C[C@]2(C)CCCS2)c1 ZINC000628211479 470076964 /nfs/dbraw/zinc/07/69/64/470076964.db2.gz RXGXCYUWDOOMMM-SFHVURJKSA-N 1 3 335.517 2.353 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634724076 470286933 /nfs/dbraw/zinc/28/69/33/470286933.db2.gz JJGXAWMUHWFCBR-GKBFQHABSA-N 1 3 346.515 2.256 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634724076 470286934 /nfs/dbraw/zinc/28/69/34/470286934.db2.gz JJGXAWMUHWFCBR-GKBFQHABSA-N 1 3 346.515 2.256 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634724076 470286935 /nfs/dbraw/zinc/28/69/35/470286935.db2.gz JJGXAWMUHWFCBR-GKBFQHABSA-N 1 3 346.515 2.256 10 0 EEAEHO CN(Cc1cc2cccnc2o1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000648585967 470298727 /nfs/dbraw/zinc/29/87/27/470298727.db2.gz CNCXQGVNBWEJFR-QGZVFWFLSA-N 1 3 328.460 2.428 10 0 EEAEHO CN(Cc1cc2cccnc2o1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000648585967 470298729 /nfs/dbraw/zinc/29/87/29/470298729.db2.gz CNCXQGVNBWEJFR-QGZVFWFLSA-N 1 3 328.460 2.428 10 0 EEAEHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)COC2(C)CNC2)cc1 ZINC000649288188 470529487 /nfs/dbraw/zinc/52/94/87/470529487.db2.gz ATXLEFUABATQMD-HNNXBMFYSA-N 1 3 331.460 2.378 10 0 EEAEHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)COC2(C)CNC2)cc1 ZINC000649288188 470529494 /nfs/dbraw/zinc/52/94/94/470529494.db2.gz ATXLEFUABATQMD-HNNXBMFYSA-N 1 3 331.460 2.378 10 0 EEAEHO CC(=O)c1cccc(OC[C@H](O)CN2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639760199 470654188 /nfs/dbraw/zinc/65/41/88/470654188.db2.gz UGDWODZQFQIFLD-GOSISDBHSA-N 1 3 346.471 2.047 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000646850197 470754972 /nfs/dbraw/zinc/75/49/72/470754972.db2.gz WVPRGKOWFGFHJE-QZTJIDSGSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000646850197 470754976 /nfs/dbraw/zinc/75/49/76/470754976.db2.gz WVPRGKOWFGFHJE-QZTJIDSGSA-N 1 3 329.488 2.451 10 0 EEAEHO CCCN1CCN(c2ccccc2CN2C[C@@H](F)C[C@H]2C[NH2+]C)CC1 ZINC000647540545 470925840 /nfs/dbraw/zinc/92/58/40/470925840.db2.gz ZKMAWPKBWVTVIV-OALUTQOASA-N 1 3 348.510 2.350 10 0 EEAEHO CNC(=O)[C@H](CN[C@H](C)C[C@H](C)[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000647804437 470988078 /nfs/dbraw/zinc/98/80/78/470988078.db2.gz QPKNKWVFCGMPLK-SCRDCRAPSA-N 1 3 345.409 2.326 10 0 EEAEHO COC[C@@H](CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1)OC ZINC000657556243 471169219 /nfs/dbraw/zinc/16/92/19/471169219.db2.gz YALFNVUODNPEAP-LJQANCHMSA-N 1 3 349.519 2.358 10 0 EEAEHO [NH3+]CC1(CCNC(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000652117766 471238338 /nfs/dbraw/zinc/23/83/38/471238338.db2.gz WLOLANKBGSURQT-UHFFFAOYSA-N 1 3 330.476 2.079 10 0 EEAEHO COc1ccc(OCCN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652360435 471279162 /nfs/dbraw/zinc/27/91/62/471279162.db2.gz HMUVLEANFOTCPI-LZQZEXGQSA-N 1 3 334.460 2.435 10 0 EEAEHO COc1ccc(OCCN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652360432 471279604 /nfs/dbraw/zinc/27/96/04/471279604.db2.gz HMUVLEANFOTCPI-ATZDWAIDSA-N 1 3 334.460 2.435 10 0 EEAEHO CCN(C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)[C@@H]1CCN(C)C1 ZINC000666283697 471340364 /nfs/dbraw/zinc/34/03/64/471340364.db2.gz YJKHHRPSDZCVDG-MRXNPFEDSA-N 1 3 348.495 2.016 10 0 EEAEHO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659029283 471473834 /nfs/dbraw/zinc/47/38/34/471473834.db2.gz BBRVIYYHWZQDMO-YJBOKZPZSA-N 1 3 346.475 2.343 10 0 EEAEHO C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659029283 471473837 /nfs/dbraw/zinc/47/38/37/471473837.db2.gz BBRVIYYHWZQDMO-YJBOKZPZSA-N 1 3 346.475 2.343 10 0 EEAEHO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659035700 471477621 /nfs/dbraw/zinc/47/76/21/471477621.db2.gz YTEIGNAYDIYLOE-ZWKOTPCHSA-N 1 3 346.475 2.342 10 0 EEAEHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659047782 471487334 /nfs/dbraw/zinc/48/73/34/471487334.db2.gz VGUFKPCJOMNODV-RHSMWYFYSA-N 1 3 334.464 2.198 10 0 EEAEHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659047782 471487337 /nfs/dbraw/zinc/48/73/37/471487337.db2.gz VGUFKPCJOMNODV-RHSMWYFYSA-N 1 3 334.464 2.198 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1nnc(C(F)(F)F)s1 ZINC000664196867 471673382 /nfs/dbraw/zinc/67/33/82/471673382.db2.gz WSQUWVHMWCUZJW-VIFPVBQESA-N 1 3 325.404 2.241 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1nnc(C(F)(F)F)s1 ZINC000664196867 471673386 /nfs/dbraw/zinc/67/33/86/471673386.db2.gz WSQUWVHMWCUZJW-VIFPVBQESA-N 1 3 325.404 2.241 10 0 EEAEHO C[C@@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C1CCC(F)CC1 ZINC000661999223 471952228 /nfs/dbraw/zinc/95/22/28/471952228.db2.gz DIKUYODONGHGAX-WLYUNCDWSA-N 1 3 325.472 2.236 10 0 EEAEHO COCCC[N@H+](CCc1ccc(OC)cc1)C[C@H]1CCC2(CNC2)O1 ZINC000662255789 472045092 /nfs/dbraw/zinc/04/50/92/472045092.db2.gz ROPBZRAEZBTHND-LJQANCHMSA-N 1 3 348.487 2.097 10 0 EEAEHO COCCC[N@@H+](CCc1ccc(OC)cc1)C[C@H]1CCC2(CNC2)O1 ZINC000662255789 472045097 /nfs/dbraw/zinc/04/50/97/472045097.db2.gz ROPBZRAEZBTHND-LJQANCHMSA-N 1 3 348.487 2.097 10 0 EEAEHO CC(C)CCOCCN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336784 472076620 /nfs/dbraw/zinc/07/66/20/472076620.db2.gz GQHYPBRMHUGCFM-KRWDZBQOSA-N 1 3 349.523 2.061 10 0 EEAEHO Cc1cc(C[NH3+])cc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)c1 ZINC000662579421 472161748 /nfs/dbraw/zinc/16/17/48/472161748.db2.gz UCEQDJNRAJJILN-ZIAGYGMSSA-N 1 3 346.349 2.376 10 0 EEAEHO CC(C)([NH3+])c1cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)on1 ZINC000662665586 472195423 /nfs/dbraw/zinc/19/54/23/472195423.db2.gz MIPGWTPEPOULPN-OAHLLOKOSA-N 1 3 342.443 2.435 10 0 EEAEHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000662684206 472205376 /nfs/dbraw/zinc/20/53/76/472205376.db2.gz BZQYOAANZHBLBK-MOPGFXCFSA-N 1 3 337.423 2.173 10 0 EEAEHO [NH3+]C[C@H](C(=O)Nc1ccc([C@@H]2CNCCO2)cc1)c1ccccc1 ZINC000659368928 490600005 /nfs/dbraw/zinc/60/00/05/490600005.db2.gz QEWQAMJXEQIONL-ROUUACIJSA-N 1 3 325.412 2.029 10 0 EEAEHO CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCCN2CCOC)c1 ZINC000415904622 528343950 /nfs/dbraw/zinc/34/39/50/528343950.db2.gz GWFRIMXVHZYXIH-KRWDZBQOSA-N 1 3 334.464 2.028 10 0 EEAEHO CCCN1CCN(c2ccccc2CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC000425999965 534935843 /nfs/dbraw/zinc/93/58/43/534935843.db2.gz FTXIFGBQFRIUOL-BGYRXZFFSA-N 1 3 342.531 2.212 10 0 EEAEHO CCCN1CCN(c2ccccc2CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC000425999965 534935852 /nfs/dbraw/zinc/93/58/52/534935852.db2.gz FTXIFGBQFRIUOL-BGYRXZFFSA-N 1 3 342.531 2.212 10 0 EEAEHO COC(=O)c1ccc2c(cnn2CN(C)CC2CC[NH+](C)CC2)c1 ZINC000728907374 576558745 /nfs/dbraw/zinc/55/87/45/576558745.db2.gz YBGXRDAIQLOBMF-UHFFFAOYSA-N 1 3 330.432 2.054 10 0 EEAEHO CC[NH+](CC)CCOC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000772041511 577246913 /nfs/dbraw/zinc/24/69/13/577246913.db2.gz IRZWBHYNTHWWNI-ZDUSSCGKSA-N 1 3 340.370 2.203 10 0 EEAEHO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCN(C2CC2)C1=O ZINC000924049618 676338936 /nfs/dbraw/zinc/33/89/36/676338936.db2.gz DGGKZMNMNDELOV-ROUUACIJSA-N 1 3 342.439 2.205 10 0 EEAEHO O=C(O[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCN(C2CC2)C1=O ZINC000924049618 676338937 /nfs/dbraw/zinc/33/89/37/676338937.db2.gz DGGKZMNMNDELOV-ROUUACIJSA-N 1 3 342.439 2.205 10 0 EEAEHO CC(C)OCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001485504242 1191818434 /nfs/dbraw/zinc/81/84/34/1191818434.db2.gz RPBRZUUSHZEKKH-WMZOPIPTSA-N 1 3 339.524 2.111 10 0 EEAEHO Cc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001485686523 1191897316 /nfs/dbraw/zinc/89/73/16/1191897316.db2.gz WPFWOGDVJVKABY-SAABIXHNSA-N 1 3 329.488 2.464 10 0 EEAEHO CC(C)N(C)CC(=O)NCCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCOC1 ZINC001267181875 1178441727 /nfs/dbraw/zinc/44/17/27/1178441727.db2.gz PMKAUFRCKJMBLT-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO 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CCCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCOCC)CC1 ZINC001327128358 1334228873 /nfs/dbraw/zinc/22/88/73/1334228873.db2.gz BAEJVGKQBBBYBS-MSOLQXFVSA-N 1 3 339.524 2.258 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCOCC)CC1 ZINC001327128358 1334228875 /nfs/dbraw/zinc/22/88/75/1334228875.db2.gz BAEJVGKQBBBYBS-MSOLQXFVSA-N 1 3 339.524 2.258 10 0 EEAEHO CC(C)COCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001328262656 1334430377 /nfs/dbraw/zinc/43/03/77/1334430377.db2.gz YPECRTYNJDONLK-IAGOWNOFSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)COCC[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001328262656 1334430380 /nfs/dbraw/zinc/43/03/80/1334430380.db2.gz YPECRTYNJDONLK-IAGOWNOFSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1cnc(CNCCC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC001330812244 1334907435 /nfs/dbraw/zinc/90/74/35/1334907435.db2.gz NTVLXBDHUPJJNB-QAPCUYQASA-N 1 3 347.507 2.032 10 0 EEAEHO Cc1cnc(CNCCC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC001330812244 1334907438 /nfs/dbraw/zinc/90/74/38/1334907438.db2.gz NTVLXBDHUPJJNB-QAPCUYQASA-N 1 3 347.507 2.032 10 0 EEAEHO Cc1cnc(CNCCC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC001330812246 1334907505 /nfs/dbraw/zinc/90/75/05/1334907505.db2.gz NTVLXBDHUPJJNB-YJBOKZPZSA-N 1 3 347.507 2.032 10 0 EEAEHO Cc1cnc(CNCCC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC001330812246 1334907507 /nfs/dbraw/zinc/90/75/07/1334907507.db2.gz NTVLXBDHUPJJNB-YJBOKZPZSA-N 1 3 347.507 2.032 10 0 EEAEHO CCc1onc(C)c1CNCCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001330963311 1334936293 /nfs/dbraw/zinc/93/62/93/1334936293.db2.gz USHLPVMEUQHJHS-CQSZACIVSA-N 1 3 348.491 2.016 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCCC(C)(C)C ZINC001331806218 1335646294 /nfs/dbraw/zinc/64/62/94/1335646294.db2.gz WSFJSCZXKWLPFF-SJORKVTESA-N 1 3 341.540 2.142 10 0 EEAEHO Cc1cc(CN[C@H]2C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)sn1 ZINC001332047711 1335713010 /nfs/dbraw/zinc/71/30/10/1335713010.db2.gz JGHAOFWARFNNJJ-GJZGRUSLSA-N 1 3 338.521 2.262 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CCCCCF)CC2)N(C)C ZINC001566693683 1342604944 /nfs/dbraw/zinc/60/49/44/1342604944.db2.gz WHZINYOYUCTYHJ-JKSUJKDBSA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1ncc(CN[C@@H]2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)o1 ZINC001567176053 1342705216 /nfs/dbraw/zinc/70/52/16/1342705216.db2.gz HKHMGSAUBHEBEE-CVEARBPZSA-N 1 3 336.480 2.232 10 0 EEAEHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCNCc1cn(C(C)C)nc1C ZINC001567611783 1342794293 /nfs/dbraw/zinc/79/42/93/1342794293.db2.gz UVBMNAIAPIYOOW-SFHVURJKSA-N 1 3 349.523 2.195 10 0 EEAEHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCNCc1cn(C(C)C)nc1C ZINC001567611783 1342794294 /nfs/dbraw/zinc/79/42/94/1342794294.db2.gz UVBMNAIAPIYOOW-SFHVURJKSA-N 1 3 349.523 2.195 10 0 EEAEHO Cc1cccc(OCC[NH2+][C@H](C)CN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001676423655 1357148947 /nfs/dbraw/zinc/14/89/47/1357148947.db2.gz IUWOOUTTXLCVIY-QZTJIDSGSA-N 1 3 347.503 2.152 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)nc2)[C@H]1C ZINC001676695825 1357182569 /nfs/dbraw/zinc/18/25/69/1357182569.db2.gz ZUAIOBSPWAUZMJ-HIFRSBDPSA-N 1 3 338.883 2.154 10 0 EEAEHO CCC[N@H+](C)CCOCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001656871176 1354288901 /nfs/dbraw/zinc/28/89/01/1354288901.db2.gz LQTZHAREVVFLRU-SFHVURJKSA-N 1 3 345.503 2.016 10 0 EEAEHO CCC[N@@H+](C)CCOCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001656871176 1354288903 /nfs/dbraw/zinc/28/89/03/1354288903.db2.gz LQTZHAREVVFLRU-SFHVURJKSA-N 1 3 345.503 2.016 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CCCCOC)CC[C@@H]21 ZINC001661554889 1354657289 /nfs/dbraw/zinc/65/72/89/1354657289.db2.gz HRLJZRFDUFSAMI-MSOLQXFVSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CCCCOC)CC[C@@H]21 ZINC001661554889 1354657293 /nfs/dbraw/zinc/65/72/93/1354657293.db2.gz HRLJZRFDUFSAMI-MSOLQXFVSA-N 1 3 339.524 2.068 10 0 EEAEHO COCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001662761631 1354841145 /nfs/dbraw/zinc/84/11/45/1354841145.db2.gz ZOJGAIPOKMORSE-IAGOWNOFSA-N 1 3 339.524 2.304 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001665871283 1355402953 /nfs/dbraw/zinc/40/29/53/1355402953.db2.gz GJPBZFLSTQGDCH-ZIAGYGMSSA-N 1 3 326.872 2.060 10 0 EEAEHO Cc1ncc(C[NH2+]CCC2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)o1 ZINC001666245035 1355493800 /nfs/dbraw/zinc/49/38/00/1355493800.db2.gz NTDOOEGERWAHAM-OAHLLOKOSA-N 1 3 348.491 2.043 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccn1 ZINC001667302099 1355703995 /nfs/dbraw/zinc/70/39/95/1355703995.db2.gz PTVFMNOBCSYTDG-GOSISDBHSA-N 1 3 332.492 2.284 10 0 EEAEHO COc1cccc([C@H](C)NC/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001668834195 1356016316 /nfs/dbraw/zinc/01/63/16/1356016316.db2.gz SQJXVEGSSGMCJI-ZZVGAVDSSA-N 1 3 345.487 2.358 10 0 EEAEHO COc1cccc([C@H](C)NC/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001668834195 1356016319 /nfs/dbraw/zinc/01/63/19/1356016319.db2.gz SQJXVEGSSGMCJI-ZZVGAVDSSA-N 1 3 345.487 2.358 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C/CNCc2cccnc2C)C1 ZINC001668995026 1356062712 /nfs/dbraw/zinc/06/27/12/1356062712.db2.gz GIHAUBXPCNGEKV-VZSQWMKGSA-N 1 3 344.503 2.274 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)NC/C=C/CNCc2cccnc2C)C1 ZINC001668995026 1356062716 /nfs/dbraw/zinc/06/27/16/1356062716.db2.gz GIHAUBXPCNGEKV-VZSQWMKGSA-N 1 3 344.503 2.274 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC/C=C\C[NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001669038902 1356074249 /nfs/dbraw/zinc/07/42/49/1356074249.db2.gz GWJVHYVGNTYXNY-INQOVCNISA-N 1 3 343.462 2.416 10 0 EEAEHO CC[C@@H](C(=O)NC/C=C/C[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C ZINC001669045930 1356076139 /nfs/dbraw/zinc/07/61/39/1356076139.db2.gz NRKYXKIZXPMTCI-MUHKLVGJSA-N 1 3 331.451 2.414 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001669074970 1356084896 /nfs/dbraw/zinc/08/48/96/1356084896.db2.gz HPJAYUQBBQIDER-XFHJGTJQSA-N 1 3 344.503 2.417 10 0 EEAEHO Cc1ncccc1C[NH2+]CCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001675914484 1357068517 /nfs/dbraw/zinc/06/85/17/1357068517.db2.gz DRYOKAOTHUFMRG-HNNXBMFYSA-N 1 3 332.492 2.249 10 0 EEAEHO Cc1ccncc1C[NH2+]CCC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001675972950 1357079845 /nfs/dbraw/zinc/07/98/45/1357079845.db2.gz CJPACFBMLNCOIV-RDJZCZTQSA-N 1 3 332.492 2.106 10 0 EEAEHO CCc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001698838945 1405100676 /nfs/dbraw/zinc/10/06/76/1405100676.db2.gz GTGHASSTJMPVGC-LPHOPBHVSA-N 1 3 331.504 2.322 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1cccc(Cl)n1)NC(=O)C1(N(C)C)CCC1 ZINC001699107774 1405263288 /nfs/dbraw/zinc/26/32/88/1405263288.db2.gz WSFIBHPSQWJDDZ-ZDUSSCGKSA-N 1 3 338.883 2.204 10 0 EEAEHO COc1cccc(CNC/C=C/CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001699257423 1405298581 /nfs/dbraw/zinc/29/85/81/1405298581.db2.gz PCEJXPAAZKAJQT-PXPVJAHISA-N 1 3 345.487 2.330 10 0 EEAEHO COc1cccc(CNC/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001699257423 1405298585 /nfs/dbraw/zinc/29/85/85/1405298585.db2.gz PCEJXPAAZKAJQT-PXPVJAHISA-N 1 3 345.487 2.330 10 0 EEAEHO C[NH+](C)C1CC(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000819679966 785641634 /nfs/dbraw/zinc/64/16/34/785641634.db2.gz IYXHISWUXZQYSU-ZLPCBKJTSA-N 1 3 333.451 2.247 10 0 EEAEHO C[NH+](C)C1(C)CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000913398125 788838786 /nfs/dbraw/zinc/83/87/86/788838786.db2.gz DXCNFPDIZSXRJY-SFHVURJKSA-N 1 3 344.503 2.236 10 0 EEAEHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1CCO[C@H]1CCOC1 ZINC000923346215 789423858 /nfs/dbraw/zinc/42/38/58/789423858.db2.gz WCQQVSDVNRIDCH-SLFFLAALSA-N 1 3 332.488 2.464 10 0 EEAEHO C[C@@H](NC(=O)[C@@H](C)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000923447969 789560609 /nfs/dbraw/zinc/56/06/09/789560609.db2.gz YVBIIKYDDXEFOW-JFIYKMOQSA-N 1 3 345.487 2.082 10 0 EEAEHO C[C@H]1[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCN1C ZINC000913939946 794622361 /nfs/dbraw/zinc/62/23/61/794622361.db2.gz QDTHSUSVCBBQCU-MAUKXSAKSA-N 1 3 330.476 2.174 10 0 EEAEHO CN(C)C1(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCC1 ZINC000792544613 809793114 /nfs/dbraw/zinc/79/31/14/809793114.db2.gz JCMACNQAAKOONA-UHFFFAOYSA-N 1 3 347.425 2.392 10 0 EEAEHO C[NH+](C)CC1(C(=O)N2CCC[C@@H]3CN(C/C=C/Cl)CC[C@@H]32)CC1 ZINC001436946124 1088626505 /nfs/dbraw/zinc/62/65/05/1088626505.db2.gz QXZGKHJRDHRKPK-VVXZVVLWSA-N 1 3 339.911 2.394 10 0 EEAEHO CC[C@@H](F)CN(C)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001437990260 1090587485 /nfs/dbraw/zinc/58/74/85/1090587485.db2.gz MNKKNPCLFAGWRJ-IAGOWNOFSA-N 1 3 327.488 2.391 10 0 EEAEHO Cc1cccnc1CNC[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001438430605 1090929497 /nfs/dbraw/zinc/92/94/97/1090929497.db2.gz BTFWTEUCQNGBOR-FXAWDEMLSA-N 1 3 346.519 2.496 10 0 EEAEHO C[C@@H](CNCc1nsc2ccccc12)CNC(=O)CC[NH+](C)C ZINC001438522420 1091014940 /nfs/dbraw/zinc/01/49/40/1091014940.db2.gz SBELWJVYXPUYIS-ZDUSSCGKSA-N 1 3 334.489 2.090 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](NCc1ccccn1)C(C)C ZINC001438795887 1091401065 /nfs/dbraw/zinc/40/10/65/1091401065.db2.gz DJZBIVSGJDDIML-QZTJIDSGSA-N 1 3 332.492 2.186 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](NCc1ccccn1)C(C)C ZINC001438795887 1091401070 /nfs/dbraw/zinc/40/10/70/1091401070.db2.gz DJZBIVSGJDDIML-QZTJIDSGSA-N 1 3 332.492 2.186 10 0 EEAEHO COc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)CN2CCCC2)c1 ZINC001438935315 1091619206 /nfs/dbraw/zinc/61/92/06/1091619206.db2.gz BSNGNKLMQBMQOV-MRXNPFEDSA-N 1 3 333.476 2.242 10 0 EEAEHO COc1cccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)CN2CCCC2)c1 ZINC001438935315 1091619208 /nfs/dbraw/zinc/61/92/08/1091619208.db2.gz BSNGNKLMQBMQOV-MRXNPFEDSA-N 1 3 333.476 2.242 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(C)nc1C)C1CC1)N(C)C ZINC001445989251 1091958993 /nfs/dbraw/zinc/95/89/93/1091958993.db2.gz HRASDZHPQDNDTF-ZWKOTPCHSA-N 1 3 332.492 2.023 10 0 EEAEHO Cc1cc(CN2CC[C@@H]([C@@H]3CCCCN3C(=O)CC[NH+](C)C)C2)on1 ZINC001446300976 1092469337 /nfs/dbraw/zinc/46/93/37/1092469337.db2.gz ZUWSUPOPHBDSFU-AEFFLSMTSA-N 1 3 348.491 2.138 10 0 EEAEHO Cc1ccccc1CCCN1CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001439580218 1092477704 /nfs/dbraw/zinc/47/77/04/1092477704.db2.gz ZMGDHWVNGPQQQI-UYAOXDASSA-N 1 3 343.515 2.460 10 0 EEAEHO Cc1ccccc1CCCN1CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439580218 1092477707 /nfs/dbraw/zinc/47/77/07/1092477707.db2.gz ZMGDHWVNGPQQQI-UYAOXDASSA-N 1 3 343.515 2.460 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC2CC(F)(F)C2)C1 ZINC001440123850 1093184724 /nfs/dbraw/zinc/18/47/24/1093184724.db2.gz NHILLOVLWLFJEV-DZGCQCFKSA-N 1 3 331.451 2.199 10 0 EEAEHO Cc1ncc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)s1 ZINC001440127941 1093190136 /nfs/dbraw/zinc/19/01/36/1093190136.db2.gz UESWKDIFPAQUKQ-HIFRSBDPSA-N 1 3 338.521 2.118 10 0 EEAEHO C[C@H](c1ccccc1)N1CCC[C@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001440193165 1093259956 /nfs/dbraw/zinc/25/99/56/1093259956.db2.gz ZDGFEPWSBWUFGS-XLIONFOSSA-N 1 3 347.503 2.033 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CC3(CCC3)C2)C1 ZINC001440241456 1093328856 /nfs/dbraw/zinc/32/88/56/1093328856.db2.gz JHJUUGQGDKBQFY-AEFFLSMTSA-N 1 3 333.520 2.441 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@H+]2CC2CC3(CCC3)C2)C1 ZINC001440241456 1093328861 /nfs/dbraw/zinc/32/88/61/1093328861.db2.gz JHJUUGQGDKBQFY-AEFFLSMTSA-N 1 3 333.520 2.441 10 0 EEAEHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2c(C)nsc2C)C1)N(C)C ZINC001440302138 1093428517 /nfs/dbraw/zinc/42/85/17/1093428517.db2.gz HYZGYJHLZLJYQY-LZWOXQAQSA-N 1 3 338.521 2.085 10 0 EEAEHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H](NCc2ccc(F)cn2)C1 ZINC001440313421 1093445365 /nfs/dbraw/zinc/44/53/65/1093445365.db2.gz LCHNTHJCJLGLOJ-ADAWSYLGSA-N 1 3 348.466 2.078 10 0 EEAEHO CC(C)CCC[NH+]1CCC2(CC1)CN(C(=O)Cc1c[nH]cn1)CCO2 ZINC001440689184 1093940209 /nfs/dbraw/zinc/94/02/09/1093940209.db2.gz MDMKJNBDDRBAML-UHFFFAOYSA-N 1 3 348.491 2.082 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@H]1CN(Cc2ccc3c(c2)CCC3)CC1(C)C ZINC001441256193 1094653992 /nfs/dbraw/zinc/65/39/92/1094653992.db2.gz NXPNXOWFEPKZAF-LJQANCHMSA-N 1 3 343.515 2.454 10 0 EEAEHO CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001441366478 1094892860 /nfs/dbraw/zinc/89/28/60/1094892860.db2.gz QRGRZNLJMSMHHC-IIDMSEBBSA-N 1 3 327.488 2.339 10 0 EEAEHO Cc1ncc(C[NH2+][C@@H](C)CNC(=O)c2sccc2CN(C)C)o1 ZINC001441874356 1095993097 /nfs/dbraw/zinc/99/30/97/1095993097.db2.gz RVHLTFBTFFRWFQ-NSHDSACASA-N 1 3 336.461 2.014 10 0 EEAEHO Cc1cnc([C@H](C)N2CC[C@@H](CCNC(=O)CCC[NH+](C)C)C2)cn1 ZINC001443234310 1097697568 /nfs/dbraw/zinc/69/75/68/1097697568.db2.gz BUCMMOOMEMJNBV-DLBZAZTESA-N 1 3 347.507 2.016 10 0 EEAEHO CC[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCC1CC1 ZINC001443990653 1098505567 /nfs/dbraw/zinc/50/55/67/1098505567.db2.gz VGOYDGDSLAYJAJ-CRAIPNDOSA-N 1 3 327.488 2.483 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCN(Cc1cccnc1)C1CC1 ZINC001479868658 1099203279 /nfs/dbraw/zinc/20/32/79/1099203279.db2.gz JPRGAARLULVVEV-LJQANCHMSA-N 1 3 344.503 2.425 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCCN(Cc1cccnc1)C1CC1 ZINC001479868658 1099203290 /nfs/dbraw/zinc/20/32/90/1099203290.db2.gz JPRGAARLULVVEV-LJQANCHMSA-N 1 3 344.503 2.425 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NCc2cnc(-c3ccccc3)o2)C1 ZINC001480220655 1099837766 /nfs/dbraw/zinc/83/77/66/1099837766.db2.gz OQOSHTWMOPVYQW-IYBDPMFKSA-N 1 3 342.443 2.030 10 0 EEAEHO Cc1oncc1CN[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001444883731 1099909969 /nfs/dbraw/zinc/90/99/69/1099909969.db2.gz GIWYZAGFPOWRKY-IRXDYDNUSA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1oncc1CN[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC001444883731 1099909980 /nfs/dbraw/zinc/90/99/80/1099909980.db2.gz GIWYZAGFPOWRKY-IRXDYDNUSA-N 1 3 336.480 2.088 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2cnc(C)s2)C1 ZINC001480303205 1100021749 /nfs/dbraw/zinc/02/17/49/1100021749.db2.gz QLIKKDNTDRJDNI-OAHLLOKOSA-N 1 3 338.521 2.122 10 0 EEAEHO C[C@@H](CNC(=O)CCC[NH+](C)C)N[C@H]1CCc2c1cc(F)cc2F ZINC001480528113 1100358280 /nfs/dbraw/zinc/35/82/80/1100358280.db2.gz URRZCPWMZOSOBD-SJCJKPOMSA-N 1 3 339.430 2.388 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001480579693 1100426159 /nfs/dbraw/zinc/42/61/59/1100426159.db2.gz NXGFMAHEUAXLCW-AAEUAGOBSA-N 1 3 328.407 2.180 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+]C[C@H]1CCCCO1 ZINC001496418954 1101012776 /nfs/dbraw/zinc/01/27/76/1101012776.db2.gz MCNGMULVFZVLOS-ZWKOTPCHSA-N 1 3 339.524 2.258 10 0 EEAEHO Cc1cccnc1C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001495348717 1101060306 /nfs/dbraw/zinc/06/03/06/1101060306.db2.gz YPLSUZKGOXAGTL-PKOBYXMFSA-N 1 3 344.503 2.203 10 0 EEAEHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)sn1 ZINC001495669402 1101410851 /nfs/dbraw/zinc/41/08/51/1101410851.db2.gz WLHSETACUFOHRZ-CJNGLKHVSA-N 1 3 338.521 2.166 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccn2)C3)CCC1 ZINC001446923138 1101600296 /nfs/dbraw/zinc/60/02/96/1101600296.db2.gz HLLFUVWLJJSPKD-SZMVWBNQSA-N 1 3 342.487 2.035 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccn2)C3)CCC1 ZINC001446923138 1101600304 /nfs/dbraw/zinc/60/03/04/1101600304.db2.gz HLLFUVWLJJSPKD-SZMVWBNQSA-N 1 3 342.487 2.035 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(NCc2conc2C)CCCC1 ZINC001495918568 1101762684 /nfs/dbraw/zinc/76/26/84/1101762684.db2.gz NBSBRLIOLZEYQL-KRWDZBQOSA-N 1 3 348.491 2.376 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(NCc2conc2C)CCCC1 ZINC001495918568 1101762690 /nfs/dbraw/zinc/76/26/90/1101762690.db2.gz NBSBRLIOLZEYQL-KRWDZBQOSA-N 1 3 348.491 2.376 10 0 EEAEHO CC(C)OCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001447166345 1102119579 /nfs/dbraw/zinc/11/95/79/1102119579.db2.gz PANGGPDSCFMQCC-ZWKOTPCHSA-N 1 3 349.519 2.105 10 0 EEAEHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccncc1Cl)N(C)C ZINC001497307010 1102288665 /nfs/dbraw/zinc/28/86/65/1102288665.db2.gz DZXFTUXNGXNLDT-DOMZBBRYSA-N 1 3 326.872 2.060 10 0 EEAEHO CN(CCC[N@H+](C)Cc1ccc2c(c1)COC2)C(=O)CN1CCCC1 ZINC001447373214 1102549517 /nfs/dbraw/zinc/54/95/17/1102549517.db2.gz CFQFEAYAZARPNP-UHFFFAOYSA-N 1 3 345.487 2.093 10 0 EEAEHO CN(CCC[N@@H+](C)Cc1ccc2c(c1)COC2)C(=O)CN1CCCC1 ZINC001447373214 1102549522 /nfs/dbraw/zinc/54/95/22/1102549522.db2.gz CFQFEAYAZARPNP-UHFFFAOYSA-N 1 3 345.487 2.093 10 0 EEAEHO CCC1([NH2+]C[C@H](OC)C2CCC2)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001447432150 1102642824 /nfs/dbraw/zinc/64/28/24/1102642824.db2.gz YJWJTQUVOVSCTR-KRWDZBQOSA-N 1 3 348.491 2.128 10 0 EEAEHO CCOCCN[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001493897174 1103072072 /nfs/dbraw/zinc/07/20/72/1103072072.db2.gz ONEDURZANIKQBT-YTQUADARSA-N 1 3 347.503 2.200 10 0 EEAEHO CCOCCN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001493897174 1103072090 /nfs/dbraw/zinc/07/20/90/1103072090.db2.gz ONEDURZANIKQBT-YTQUADARSA-N 1 3 347.503 2.200 10 0 EEAEHO Cc1cccc(CN2CC(CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC001494633684 1104217557 /nfs/dbraw/zinc/21/75/57/1104217557.db2.gz SMFFODHSRBVUQX-CALCHBBNSA-N 1 3 329.488 2.416 10 0 EEAEHO Cc1cccc(CN2CC(CNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC001494633684 1104217564 /nfs/dbraw/zinc/21/75/64/1104217564.db2.gz SMFFODHSRBVUQX-CALCHBBNSA-N 1 3 329.488 2.416 10 0 EEAEHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1sccc1Cl ZINC001495092727 1104731265 /nfs/dbraw/zinc/73/12/65/1104731265.db2.gz ABUKUUAKNCCJEZ-GFCCVEGCSA-N 1 3 341.908 2.482 10 0 EEAEHO C[C@H]([NH2+]C/C=C/Cl)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001493835885 1108718982 /nfs/dbraw/zinc/71/89/82/1108718982.db2.gz GIQNHOFBQHQBAV-SBRLYDIBSA-N 1 3 327.900 2.297 10 0 EEAEHO Cc1cccnc1C[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001493869464 1108764629 /nfs/dbraw/zinc/76/46/29/1108764629.db2.gz ADDAWFJJNOAFID-QGZVFWFLSA-N 1 3 346.519 2.449 10 0 EEAEHO Cc1cccnc1C[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001493869464 1108764639 /nfs/dbraw/zinc/76/46/39/1108764639.db2.gz ADDAWFJJNOAFID-QGZVFWFLSA-N 1 3 346.519 2.449 10 0 EEAEHO CC[NH+](CC)CCCC1CC[NH+](CCCOC([O-])=NC(N)=O)CC1 ZINC001459932178 1110250569 /nfs/dbraw/zinc/25/05/69/1110250569.db2.gz JMHMSFNTRACOLL-UHFFFAOYSA-N 1 3 342.484 2.015 10 0 EEAEHO CC(C)OCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001479328498 1110681759 /nfs/dbraw/zinc/68/17/59/1110681759.db2.gz NZIAHKCVVARPSM-FGTMMUONSA-N 1 3 339.524 2.159 10 0 EEAEHO CO[C@@H](C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)c1ccccc1 ZINC001499950820 1112552805 /nfs/dbraw/zinc/55/28/05/1112552805.db2.gz NTRKCTGRRKJTNE-OALUTQOASA-N 1 3 345.487 2.051 10 0 EEAEHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cccc(Cl)n1 ZINC001503473300 1113888821 /nfs/dbraw/zinc/88/88/21/1113888821.db2.gz NGNXFPUMYGCUOE-KGLIPLIRSA-N 1 3 338.883 2.061 10 0 EEAEHO Cc1oncc1C[NH2+]CC[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001568058322 1124264684 /nfs/dbraw/zinc/26/46/84/1124264684.db2.gz QMDBSNNIMJWWLM-INIZCTEOSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1cccnc1C[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001568090972 1124295413 /nfs/dbraw/zinc/29/54/13/1124295413.db2.gz VWXFXIMRJCINPS-LJQANCHMSA-N 1 3 344.503 2.203 10 0 EEAEHO Cc1ncoc1CN1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001568515445 1124576993 /nfs/dbraw/zinc/57/69/93/1124576993.db2.gz LEWOUZHRWQPVCN-DLBZAZTESA-N 1 3 348.491 2.138 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]Cc1cccc2nsnc21 ZINC001568714270 1124733076 /nfs/dbraw/zinc/73/30/76/1124733076.db2.gz RGJBMTRAZHTNSK-CYBMUJFWSA-N 1 3 349.504 2.016 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1ccc(F)cc1 ZINC001568851139 1124870927 /nfs/dbraw/zinc/87/09/27/1124870927.db2.gz YBZFOBNGIKNBDZ-DDKKJVIOSA-N 1 3 333.451 2.461 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1ccc(F)cc1 ZINC001568851139 1124870930 /nfs/dbraw/zinc/87/09/30/1124870930.db2.gz YBZFOBNGIKNBDZ-DDKKJVIOSA-N 1 3 333.451 2.461 10 0 EEAEHO CCOCCC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC ZINC001569338813 1125239821 /nfs/dbraw/zinc/23/98/21/1125239821.db2.gz REPBHOGYDXVASF-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCN2CCc3ccccc3C2)C1 ZINC000416175300 529798735 /nfs/dbraw/zinc/79/87/35/529798735.db2.gz HRUGATZWFQNHRJ-VQTJNVASSA-N 1 3 341.499 2.378 10 0 EEAEHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCN2CCc3ccccc3C2)C1 ZINC000416175300 529798737 /nfs/dbraw/zinc/79/87/37/529798737.db2.gz HRUGATZWFQNHRJ-VQTJNVASSA-N 1 3 341.499 2.378 10 0 EEAEHO CCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000067138804 201160181 /nfs/dbraw/zinc/16/01/81/201160181.db2.gz JGUMWDDRHGKOBN-MOPGFXCFSA-N 1 3 329.488 2.499 10 0 EEAEHO CCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000067138804 201160183 /nfs/dbraw/zinc/16/01/83/201160183.db2.gz JGUMWDDRHGKOBN-MOPGFXCFSA-N 1 3 329.488 2.499 10 0 EEAEHO C[C@H](CC[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)N(C)Cc1ccccc1 ZINC000422818110 240245837 /nfs/dbraw/zinc/24/58/37/240245837.db2.gz FPYKXZNIHOMCRW-UXPWSPDFSA-N 1 3 331.504 2.254 10 0 EEAEHO c1ccc(CCN2CCC([NH2+][C@H](C3CC3)[C@@H]3CNCCO3)CC2)cc1 ZINC000422840268 240254533 /nfs/dbraw/zinc/25/45/33/240254533.db2.gz BFTIFLBPTJWXNX-LEWJYISDSA-N 1 3 343.515 2.050 10 0 EEAEHO Cc1nn(C)c(C)c1CN1Cc2ccc(CN(C)C)cc2[C@H]1C[NH3+] ZINC000071683861 203103742 /nfs/dbraw/zinc/10/37/42/203103742.db2.gz GVNSWWJBWDZVJJ-LJQANCHMSA-N 1 3 327.476 2.114 10 0 EEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000073722876 203271758 /nfs/dbraw/zinc/27/17/58/203271758.db2.gz BMJHJFBXDFRLNY-SJORKVTESA-N 1 3 326.529 2.479 10 0 EEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000073722876 203271760 /nfs/dbraw/zinc/27/17/60/203271760.db2.gz BMJHJFBXDFRLNY-SJORKVTESA-N 1 3 326.529 2.479 10 0 EEAEHO CN(Cc1cncn1C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000177055535 207290239 /nfs/dbraw/zinc/29/02/39/207290239.db2.gz UWFCPKBYHYVADP-HXUWFJFHSA-N 1 3 342.487 2.298 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH+]2CCC(CO)CC2)CC1 ZINC000127066919 292319546 /nfs/dbraw/zinc/31/95/46/292319546.db2.gz XNPWWSNZXMXPLK-UHFFFAOYSA-N 1 3 331.504 2.423 10 0 EEAEHO CCC[C@H](C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[NH+](C)C ZINC000164184933 159745640 /nfs/dbraw/zinc/74/56/40/159745640.db2.gz XUADJCNLBLWZEB-MAUKXSAKSA-N 1 3 332.492 2.454 10 0 EEAEHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1C[C@@H](C)N(C3CC3)C1)CC2 ZINC000246409737 160277468 /nfs/dbraw/zinc/27/74/68/160277468.db2.gz UQBHEVDBKFVNPG-AHCXZYCDSA-N 1 3 334.508 2.268 10 0 EEAEHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1C[C@@H](C)N(C3CC3)C1)CC2 ZINC000246409737 160277470 /nfs/dbraw/zinc/27/74/70/160277470.db2.gz UQBHEVDBKFVNPG-AHCXZYCDSA-N 1 3 334.508 2.268 10 0 EEAEHO C[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000292114095 275378289 /nfs/dbraw/zinc/37/82/89/275378289.db2.gz KDKCAPNWJVBYCO-QFBILLFUSA-N 1 3 329.488 2.498 10 0 EEAEHO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261821236 279063846 /nfs/dbraw/zinc/06/38/46/279063846.db2.gz IJBZWWUGVNVWOK-ZIAGYGMSSA-N 1 3 335.414 2.109 10 0 EEAEHO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000261821236 279063848 /nfs/dbraw/zinc/06/38/48/279063848.db2.gz IJBZWWUGVNVWOK-ZIAGYGMSSA-N 1 3 335.414 2.109 10 0 EEAEHO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000261821236 279063849 /nfs/dbraw/zinc/06/38/49/279063849.db2.gz IJBZWWUGVNVWOK-ZIAGYGMSSA-N 1 3 335.414 2.109 10 0 EEAEHO c1cn(-c2ncccc2C[NH2+]C2CCN(c3ccncc3)CC2)cn1 ZINC000294102923 293371019 /nfs/dbraw/zinc/37/10/19/293371019.db2.gz CESFGMJRTGFYIC-UHFFFAOYSA-N 1 3 334.427 2.421 10 0 EEAEHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000246316532 297227054 /nfs/dbraw/zinc/22/70/54/297227054.db2.gz NUPBSEZDECDZRN-KZNAEPCWSA-N 1 3 348.535 2.399 10 0 EEAEHO Cn1cc(CNCCC[NH2+]Cc2cccnc2)c(-c2ccncc2)n1 ZINC000414889658 313106698 /nfs/dbraw/zinc/10/66/98/313106698.db2.gz YZSPFPUYWZMCTL-UHFFFAOYSA-N 1 3 336.443 2.147 10 0 EEAEHO CN(C)CCOc1cccc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000414894688 313108503 /nfs/dbraw/zinc/10/85/03/313108503.db2.gz ZVUOVECDWSAICO-LJQANCHMSA-N 1 3 346.475 2.234 10 0 EEAEHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]C[C@@H]2C)c(OC)c1 ZINC000414939063 313113392 /nfs/dbraw/zinc/11/33/92/313113392.db2.gz JCGUVJDOHOQTKA-YDHLFZDLSA-N 1 3 335.448 2.009 10 0 EEAEHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)c(OC)c1 ZINC000414939063 313113394 /nfs/dbraw/zinc/11/33/94/313113394.db2.gz JCGUVJDOHOQTKA-YDHLFZDLSA-N 1 3 335.448 2.009 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000416928251 313363466 /nfs/dbraw/zinc/36/34/66/313363466.db2.gz ULTLHYICTDJHKR-CKEIUWERSA-N 1 3 336.480 2.113 10 0 EEAEHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)[C@H](C)C1 ZINC000425436338 314394246 /nfs/dbraw/zinc/39/42/46/314394246.db2.gz WDKLLUDVXVAWHO-IXDOHACOSA-N 1 3 339.524 2.112 10 0 EEAEHO Ic1ccc(CNCCC[NH+]2CCC2)cc1 ZINC000581498763 324267405 /nfs/dbraw/zinc/26/74/05/324267405.db2.gz JPUCVCXTCNVJAD-UHFFFAOYSA-N 1 3 330.213 2.477 10 0 EEAEHO COc1cnccc1N1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000358308625 465050227 /nfs/dbraw/zinc/05/02/27/465050227.db2.gz KCNCVCIDHKRMNK-INIZCTEOSA-N 1 3 346.475 2.003 10 0 EEAEHO CO[C@@H](C)CN(CC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000354828324 465176432 /nfs/dbraw/zinc/17/64/32/465176432.db2.gz BAWTUMKHOAGJNG-WMZOPIPTSA-N 1 3 335.492 2.151 10 0 EEAEHO CO[C@@H](C)CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000354828324 465176435 /nfs/dbraw/zinc/17/64/35/465176435.db2.gz BAWTUMKHOAGJNG-WMZOPIPTSA-N 1 3 335.492 2.151 10 0 EEAEHO CS[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1N1CCCC1 ZINC000356030619 465287806 /nfs/dbraw/zinc/28/78/06/465287806.db2.gz SWBFSDSRXVZMKV-YESZJQIVSA-N 1 3 339.549 2.289 10 0 EEAEHO CS[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1N1CCCC1 ZINC000356030619 465287810 /nfs/dbraw/zinc/28/78/10/465287810.db2.gz SWBFSDSRXVZMKV-YESZJQIVSA-N 1 3 339.549 2.289 10 0 EEAEHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000342344187 465311562 /nfs/dbraw/zinc/31/15/62/465311562.db2.gz HHGVCDRWIZQMSQ-NXHRZFHOSA-N 1 3 334.508 2.129 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CN1C1CC1 ZINC000129955642 462733124 /nfs/dbraw/zinc/73/31/24/462733124.db2.gz LUCMONANMCPZAJ-RYRKJORJSA-N 1 3 334.508 2.272 10 0 EEAEHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2OCC(=O)N(C)C)[C@H](C)C1 ZINC000093639271 463043196 /nfs/dbraw/zinc/04/31/96/463043196.db2.gz CPYVBDCTHUKRIQ-SJLPKXTDSA-N 1 3 347.503 2.316 10 0 EEAEHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2OCC(=O)N(C)C)[C@H](C)C1 ZINC000093639271 463043197 /nfs/dbraw/zinc/04/31/97/463043197.db2.gz CPYVBDCTHUKRIQ-SJLPKXTDSA-N 1 3 347.503 2.316 10 0 EEAEHO C[C@@H]1CN(CCC2CC[NH+](CC[C@@H]3CCOC3=O)CC2)C[C@@H](C)O1 ZINC000120841759 463044901 /nfs/dbraw/zinc/04/49/01/463044901.db2.gz JYAGHJZFONZOIT-JFIYKMOQSA-N 1 3 338.492 2.151 10 0 EEAEHO CN(C)[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000170826895 463715224 /nfs/dbraw/zinc/71/52/24/463715224.db2.gz HTBBMTRHYHMZER-GOSISDBHSA-N 1 3 330.476 2.128 10 0 EEAEHO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000268923049 463810393 /nfs/dbraw/zinc/81/03/93/463810393.db2.gz XHKUBFQLYMRWNS-QKNQBKEWSA-N 1 3 344.547 2.123 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000195126268 463997539 /nfs/dbraw/zinc/99/75/39/463997539.db2.gz VFOHGHYYJFMNBC-IBGZPJMESA-N 1 3 344.503 2.087 10 0 EEAEHO Cc1nc2sccn2c(=O)c1CCN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000286274433 464865006 /nfs/dbraw/zinc/86/50/06/464865006.db2.gz FGKJKTBNTOXZHS-TZMCWYRMSA-N 1 3 334.489 2.021 10 0 EEAEHO Cc1nc2sccn2c(=O)c1CCN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000286274433 464865009 /nfs/dbraw/zinc/86/50/09/464865009.db2.gz FGKJKTBNTOXZHS-TZMCWYRMSA-N 1 3 334.489 2.021 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H]([C@H](C)O)C2)CC1 ZINC000356931979 465637999 /nfs/dbraw/zinc/63/79/99/465637999.db2.gz IMSVUYKDVCNHHK-ROUUACIJSA-N 1 3 331.504 2.421 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H]([C@H](C)O)C2)CC1 ZINC000356931979 465638006 /nfs/dbraw/zinc/63/80/06/465638006.db2.gz IMSVUYKDVCNHHK-ROUUACIJSA-N 1 3 331.504 2.421 10 0 EEAEHO O=C(NC1CC([NH+]2CCCCC2)C1)N1CCN(C2CCCC2)CC1 ZINC000366410576 465710614 /nfs/dbraw/zinc/71/06/14/465710614.db2.gz ZCTFDWSQRATQNX-UHFFFAOYSA-N 1 3 334.508 2.273 10 0 EEAEHO CC(C)C[C@H](N[C@H]1CCCc2c(O)cccc21)C(=O)NCC[NH+](C)C ZINC000340517030 466148259 /nfs/dbraw/zinc/14/82/59/466148259.db2.gz KQYOSZNCNDUHAW-ROUUACIJSA-N 1 3 347.503 2.452 10 0 EEAEHO CN1CC[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)[C@H]2CCC[C@@H]21 ZINC000367538612 466401440 /nfs/dbraw/zinc/40/14/40/466401440.db2.gz QXOHPSVLSUJAQU-HKBOAZHASA-N 1 3 343.515 2.481 10 0 EEAEHO C[N@@H+]1CC[C@H](NCc2ccccc2CN2CCOCC2)[C@H]2CCC[C@@H]21 ZINC000367538612 466401447 /nfs/dbraw/zinc/40/14/47/466401447.db2.gz QXOHPSVLSUJAQU-HKBOAZHASA-N 1 3 343.515 2.481 10 0 EEAEHO C[N@H+]1CC[C@H](NCc2ccccc2CN2CCOCC2)[C@H]2CCC[C@@H]21 ZINC000367538612 466401453 /nfs/dbraw/zinc/40/14/53/466401453.db2.gz QXOHPSVLSUJAQU-HKBOAZHASA-N 1 3 343.515 2.481 10 0 EEAEHO C[C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)N1CCC(C)CC1 ZINC000375667872 466853797 /nfs/dbraw/zinc/85/37/97/466853797.db2.gz AGIWTNKANJMXRX-AOCRQIFASA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000417588284 466888372 /nfs/dbraw/zinc/88/83/72/466888372.db2.gz PBWQGZCCLNHGDZ-QAPCUYQASA-N 1 3 330.476 2.043 10 0 EEAEHO CC[NH2+]CC1CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000417949093 466999908 /nfs/dbraw/zinc/99/99/08/466999908.db2.gz UVRNHBIXBMBHLW-OALUTQOASA-N 1 3 344.503 2.463 10 0 EEAEHO C[C@@]1(CNC(=O)NCC[C@@H]2CC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000418044860 467033056 /nfs/dbraw/zinc/03/30/56/467033056.db2.gz NMSYXZXUPNEOKG-PXNSSMCTSA-N 1 3 344.503 2.340 10 0 EEAEHO CCCN(C)[C@@H](CNC(=O)NCCC[NH3+])c1ccc(Cl)cc1 ZINC000418186012 467069343 /nfs/dbraw/zinc/06/93/43/467069343.db2.gz RIOVUVDONNIERQ-HNNXBMFYSA-N 1 3 326.872 2.371 10 0 EEAEHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000418585488 467132388 /nfs/dbraw/zinc/13/23/88/467132388.db2.gz DIPPXYZSHPXMPW-FUHWJXTLSA-N 1 3 332.492 2.066 10 0 EEAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418595878 467133527 /nfs/dbraw/zinc/13/35/27/467133527.db2.gz OMIJRNYEUYZTMR-QAPCUYQASA-N 1 3 332.492 2.278 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000418615138 467136011 /nfs/dbraw/zinc/13/60/11/467136011.db2.gz GTOXFSDZNLMTAD-NXHRZFHOSA-N 1 3 330.476 2.043 10 0 EEAEHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCOCCOc3ccccc3)CC2)C1 ZINC000420385790 467390009 /nfs/dbraw/zinc/39/00/09/467390009.db2.gz IBOIMWFEYLUXTJ-AZUAARDMSA-N 1 3 348.487 2.300 10 0 EEAEHO C[C@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CN1C1CC1 ZINC000397585587 467443484 /nfs/dbraw/zinc/44/34/84/467443484.db2.gz IWXALPVRJMBHFF-HKUYNNGSSA-N 1 3 343.515 2.228 10 0 EEAEHO COCCN1CC[C@@H]([NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449156948 467621327 /nfs/dbraw/zinc/62/13/27/467621327.db2.gz UEMADJGTKHLATE-WIYYLYMNSA-N 1 3 345.531 2.392 10 0 EEAEHO COCCN1CC[C@@H](NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449156948 467621328 /nfs/dbraw/zinc/62/13/28/467621328.db2.gz UEMADJGTKHLATE-WIYYLYMNSA-N 1 3 345.531 2.392 10 0 EEAEHO CC(=O)[C@](C)(O)CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000450653283 467887246 /nfs/dbraw/zinc/88/72/46/467887246.db2.gz VPMYNUYXKZEDNN-LJQANCHMSA-N 1 3 330.472 2.315 10 0 EEAEHO CC(=O)[C@](C)(O)CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000450653283 467887249 /nfs/dbraw/zinc/88/72/49/467887249.db2.gz VPMYNUYXKZEDNN-LJQANCHMSA-N 1 3 330.472 2.315 10 0 EEAEHO CC(=O)[C@](C)(O)C[NH+]1CCC2(CCN(Cc3ccccc3)C2)CC1 ZINC000450653283 467887250 /nfs/dbraw/zinc/88/72/50/467887250.db2.gz VPMYNUYXKZEDNN-LJQANCHMSA-N 1 3 330.472 2.315 10 0 EEAEHO COCC(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c1 ZINC000516200466 468018866 /nfs/dbraw/zinc/01/88/66/468018866.db2.gz KFQKXRJIXCDNME-KSZLIROESA-N 1 3 331.460 2.234 10 0 EEAEHO OCC1([NH2+]CC2CC2)CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000567994479 468252079 /nfs/dbraw/zinc/25/20/79/468252079.db2.gz NIEKUUKIHYYIOM-FQEVSTJZSA-N 1 3 343.515 2.087 10 0 EEAEHO CC(C)(C)OC(=O)C1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCOCC1 ZINC000592376013 468685375 /nfs/dbraw/zinc/68/53/75/468685375.db2.gz WLFCHNOPFYYJLA-HOTGVXAUSA-N 1 3 338.492 2.341 10 0 EEAEHO CC(C)(C)OC(=O)C1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCOCC1 ZINC000592376013 468685380 /nfs/dbraw/zinc/68/53/80/468685380.db2.gz WLFCHNOPFYYJLA-HOTGVXAUSA-N 1 3 338.492 2.341 10 0 EEAEHO C[C@@]1(CNC(=O)NCC2=CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000584770435 468932451 /nfs/dbraw/zinc/93/24/51/468932451.db2.gz RMADKNLZWSMYJF-FQEVSTJZSA-N 1 3 342.487 2.260 10 0 EEAEHO COC(=O)c1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000593322570 468938484 /nfs/dbraw/zinc/93/84/84/468938484.db2.gz MLRFCUNUYAPWCH-KURKYZTESA-N 1 3 332.444 2.334 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H]3C(F)(F)F)CC2)CC1 ZINC000615030892 469124157 /nfs/dbraw/zinc/12/41/57/469124157.db2.gz SBBYTNBNTFZUHF-HNNXBMFYSA-N 1 3 347.425 2.346 10 0 EEAEHO CN(Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000629602387 469589950 /nfs/dbraw/zinc/58/99/50/469589950.db2.gz DSHZAQVWYCJFQE-LEWJYISDSA-N 1 3 345.531 2.476 10 0 EEAEHO C[C@@H](CN1CCN(c2ccccn2)CC1)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623424103 469653274 /nfs/dbraw/zinc/65/32/74/469653274.db2.gz BEFXVUVDQZEPGS-ZWKOTPCHSA-N 1 3 345.535 2.055 10 0 EEAEHO C[C@@H](CN1CCN(c2ccccn2)CC1)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623424103 469653278 /nfs/dbraw/zinc/65/32/78/469653278.db2.gz BEFXVUVDQZEPGS-ZWKOTPCHSA-N 1 3 345.535 2.055 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1cc2ccccc2o1 ZINC000617504929 469703210 /nfs/dbraw/zinc/70/32/10/469703210.db2.gz PTTIWMGOISENAF-HNNXBMFYSA-N 1 3 331.460 2.364 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1cc2ccccc2o1 ZINC000617504929 469703213 /nfs/dbraw/zinc/70/32/13/469703213.db2.gz PTTIWMGOISENAF-HNNXBMFYSA-N 1 3 331.460 2.364 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccoc1Br ZINC000617507053 469706151 /nfs/dbraw/zinc/70/61/51/469706151.db2.gz GNUMKHHOJTVVAO-NSHDSACASA-N 1 3 346.269 2.044 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccoc1Br ZINC000617507053 469706155 /nfs/dbraw/zinc/70/61/55/469706155.db2.gz GNUMKHHOJTVVAO-NSHDSACASA-N 1 3 346.269 2.044 10 0 EEAEHO CSc1ccccc1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506771 469706769 /nfs/dbraw/zinc/70/67/69/469706769.db2.gz 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O=C(NC[C@H]1CCN1C1CCCC1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000624783950 470021130 /nfs/dbraw/zinc/02/11/30/470021130.db2.gz CDPUCMPGTHHHPQ-IEBWSBKVSA-N 1 3 348.535 2.425 10 0 EEAEHO O=C(NC[C@H]1CCN1C1CCCC1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000624783950 470021132 /nfs/dbraw/zinc/02/11/32/470021132.db2.gz CDPUCMPGTHHHPQ-IEBWSBKVSA-N 1 3 348.535 2.425 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nccc2ccsc21 ZINC000628052026 470048271 /nfs/dbraw/zinc/04/82/71/470048271.db2.gz VYVJENNGWFXMPT-ZDUSSCGKSA-N 1 3 334.489 2.298 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nccc2ccsc21 ZINC000628052026 470048274 /nfs/dbraw/zinc/04/82/74/470048274.db2.gz VYVJENNGWFXMPT-ZDUSSCGKSA-N 1 3 334.489 2.298 10 0 EEAEHO CN(CCC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccncc1 ZINC000628544344 470118148 /nfs/dbraw/zinc/11/81/48/470118148.db2.gz DYJBIKALKKIAEZ-SFHVURJKSA-N 1 3 330.476 2.431 10 0 EEAEHO CN(CCC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccncc1 ZINC000628544344 470118152 /nfs/dbraw/zinc/11/81/52/470118152.db2.gz DYJBIKALKKIAEZ-SFHVURJKSA-N 1 3 330.476 2.431 10 0 EEAEHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(-c2ccc(OCC(N)=O)cc2)cc1 ZINC000622044836 470153586 /nfs/dbraw/zinc/15/35/86/470153586.db2.gz UTFSKLWQEVSMFB-GJZGRUSLSA-N 1 3 341.455 2.433 10 0 EEAEHO C[C@](O)(C[C@H](O)CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634701358 470281655 /nfs/dbraw/zinc/28/16/55/470281655.db2.gz OOFYURASHREVLK-JBACZVJFSA-N 1 3 346.515 2.400 10 0 EEAEHO C[C@](O)(C[C@H](O)CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000634701358 470281657 /nfs/dbraw/zinc/28/16/57/470281657.db2.gz OOFYURASHREVLK-JBACZVJFSA-N 1 3 346.515 2.400 10 0 EEAEHO CC1CC[NH+](Cc2ccc(NC(=O)COC3(C)CNC3)cc2)CC1 ZINC000649288251 470530252 /nfs/dbraw/zinc/53/02/52/470530252.db2.gz GHTKNSQISYDDGO-UHFFFAOYSA-N 1 3 331.460 2.236 10 0 EEAEHO C[N@@H+]1CCC[C@@H]1CCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000649751689 470685771 /nfs/dbraw/zinc/68/57/71/470685771.db2.gz PTMHBVKRAVFVMG-NJDAHSKKSA-N 1 3 343.515 2.446 10 0 EEAEHO C[N@H+]1CCC[C@@H]1CCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000649751689 470685774 /nfs/dbraw/zinc/68/57/74/470685774.db2.gz PTMHBVKRAVFVMG-NJDAHSKKSA-N 1 3 343.515 2.446 10 0 EEAEHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654659450 471118006 /nfs/dbraw/zinc/11/80/06/471118006.db2.gz HSTOAOULLBAPCR-GBESFXJTSA-N 1 3 344.503 2.243 10 0 EEAEHO CN(C)CCNC(=O)c1cccc(C[NH2+]C2CC(CF)(CF)C2)c1 ZINC000657867346 471243151 /nfs/dbraw/zinc/24/31/51/471243151.db2.gz GIMJENMUDLOMLB-UHFFFAOYSA-N 1 3 339.430 2.155 10 0 EEAEHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCC1(C[NH3+])CC1)N(C)C ZINC000652191531 471253080 /nfs/dbraw/zinc/25/30/80/471253080.db2.gz XLNWYODCYFEXKU-DOTOQJQBSA-N 1 3 332.492 2.414 10 0 EEAEHO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000652418144 471288503 /nfs/dbraw/zinc/28/85/03/471288503.db2.gz UDJYKOLCXXKFGG-PKOBYXMFSA-N 1 3 344.503 2.244 10 0 EEAEHO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000652418144 471288505 /nfs/dbraw/zinc/28/85/05/471288505.db2.gz UDJYKOLCXXKFGG-PKOBYXMFSA-N 1 3 344.503 2.244 10 0 EEAEHO C[C@H]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)CS1 ZINC000655709235 471451508 /nfs/dbraw/zinc/45/15/08/471451508.db2.gz ZRXUSENBUIXJAZ-WMLDXEAASA-N 1 3 335.517 2.352 10 0 EEAEHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659031874 471475311 /nfs/dbraw/zinc/47/53/11/471475311.db2.gz DGJXKKOXXICTJX-CRAIPNDOSA-N 1 3 346.475 2.153 10 0 EEAEHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659031874 471475315 /nfs/dbraw/zinc/47/53/15/471475315.db2.gz DGJXKKOXXICTJX-CRAIPNDOSA-N 1 3 346.475 2.153 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000669420310 471490113 /nfs/dbraw/zinc/49/01/13/471490113.db2.gz IXAUDBHZQZTIHQ-BHIYHBOVSA-N 1 3 344.503 2.196 10 0 EEAEHO C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N(C)Cc1ccccc1 ZINC000653119171 471497396 /nfs/dbraw/zinc/49/73/96/471497396.db2.gz AENCCPPIWFZQQC-BPLDGKMQSA-N 1 3 343.393 2.021 10 0 EEAEHO CC[C@@H](CN1CCCC1)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000669530020 471536304 /nfs/dbraw/zinc/53/63/04/471536304.db2.gz NUEBBVGLLDTOCT-SFHVURJKSA-N 1 3 332.492 2.074 10 0 EEAEHO [NH3+]CCN(CCc1ccccc1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655976115 471563728 /nfs/dbraw/zinc/56/37/28/471563728.db2.gz ZGBQNQKNNLZYMW-OALUTQOASA-N 1 3 344.503 2.216 10 0 EEAEHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000660959844 471567934 /nfs/dbraw/zinc/56/79/34/471567934.db2.gz RECFKEHODXCZSL-KSZLIROESA-N 1 3 330.476 2.215 10 0 EEAEHO CCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000660959844 471567937 /nfs/dbraw/zinc/56/79/37/471567937.db2.gz RECFKEHODXCZSL-KSZLIROESA-N 1 3 330.476 2.215 10 0 EEAEHO CCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000666925085 471590268 /nfs/dbraw/zinc/59/02/68/471590268.db2.gz RADWIKJMFFRGSH-RBUKOAKNSA-N 1 3 344.503 2.387 10 0 EEAEHO CCC[N@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000666925085 471590275 /nfs/dbraw/zinc/59/02/75/471590275.db2.gz RADWIKJMFFRGSH-RBUKOAKNSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@]1(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000659484218 471650407 /nfs/dbraw/zinc/65/04/07/471650407.db2.gz QBUOOSYNFWCRGA-ZHALLVOQSA-N 1 3 348.466 2.122 10 0 EEAEHO C[C@]1(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)CCC[N@H+]1Cc1ccccc1 ZINC000659484218 471650412 /nfs/dbraw/zinc/65/04/12/471650412.db2.gz QBUOOSYNFWCRGA-ZHALLVOQSA-N 1 3 348.466 2.122 10 0 EEAEHO C[C@@H]1CCN(CCOCC[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000661858244 471906963 /nfs/dbraw/zinc/90/69/63/471906963.db2.gz QKBYBDGWGKALDX-BDXSIMOUSA-N 1 3 328.497 2.002 10 0 EEAEHO C[C@@H]1CCN(CCOCC[N@H+]2CC[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000661858244 471906968 /nfs/dbraw/zinc/90/69/68/471906968.db2.gz QKBYBDGWGKALDX-BDXSIMOUSA-N 1 3 328.497 2.002 10 0 EEAEHO C[C@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C1CCC(F)CC1 ZINC000661999222 471952159 /nfs/dbraw/zinc/95/21/59/471952159.db2.gz DIKUYODONGHGAX-NFOMZHRRSA-N 1 3 325.472 2.236 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1c(F)cccc1F ZINC000665155733 471958984 /nfs/dbraw/zinc/95/89/84/471958984.db2.gz YAZFGCWHOTVXOP-LBPRGKRZSA-N 1 3 328.407 2.358 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1c(F)cccc1F ZINC000665155733 471958986 /nfs/dbraw/zinc/95/89/86/471958986.db2.gz YAZFGCWHOTVXOP-LBPRGKRZSA-N 1 3 328.407 2.358 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000665758730 472173745 /nfs/dbraw/zinc/17/37/45/472173745.db2.gz NKEKIYPBBQPWTD-ULQDDVLXSA-N 1 3 326.529 2.479 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000665758730 472173749 /nfs/dbraw/zinc/17/37/49/472173749.db2.gz NKEKIYPBBQPWTD-ULQDDVLXSA-N 1 3 326.529 2.479 10 0 EEAEHO O=C(NC1CCN(Cc2ccccc2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662658919 472192094 /nfs/dbraw/zinc/19/20/94/472192094.db2.gz MMIDCUYSAWTDSW-UHFFFAOYSA-N 1 3 327.472 2.442 10 0 EEAEHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(C)(C)[C@H](N)c2ccccc2)CCO1 ZINC000662973630 472314285 /nfs/dbraw/zinc/31/42/85/472314285.db2.gz SVINEQQKZFKCFB-QZTJIDSGSA-N 1 3 347.503 2.282 10 0 EEAEHO CCCN1CCC([NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)CC1 ZINC000679042362 485572484 /nfs/dbraw/zinc/57/24/84/485572484.db2.gz AXZXFAPVCHCHBP-NRFANRHFSA-N 1 3 345.531 2.478 10 0 EEAEHO CCC[NH+]1CCC(N[C@@]2(CO)CCCN(Cc3ccccc3)C2)CC1 ZINC000679042362 485572491 /nfs/dbraw/zinc/57/24/91/485572491.db2.gz AXZXFAPVCHCHBP-NRFANRHFSA-N 1 3 345.531 2.478 10 0 EEAEHO Cc1ccnc(NCC[N@@H+](C)CCCN(C)C)c1Br ZINC000664247712 485601940 /nfs/dbraw/zinc/60/19/40/485601940.db2.gz FOUMZXZZOKLARG-UHFFFAOYSA-N 1 3 329.286 2.448 10 0 EEAEHO Cc1ccnc(NCC[N@H+](C)CCCN(C)C)c1Br ZINC000664247712 485601946 /nfs/dbraw/zinc/60/19/46/485601946.db2.gz FOUMZXZZOKLARG-UHFFFAOYSA-N 1 3 329.286 2.448 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CCCN(C)C1 ZINC000674147501 485647354 /nfs/dbraw/zinc/64/73/54/485647354.db2.gz CLQPTCUBWZYHMA-NZSAHSFTSA-N 1 3 344.503 2.290 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CCCN(C)C1 ZINC000674147501 485647361 /nfs/dbraw/zinc/64/73/61/485647361.db2.gz CLQPTCUBWZYHMA-NZSAHSFTSA-N 1 3 344.503 2.290 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]CCc2cn(C)cn2)CC1 ZINC000459663487 534936412 /nfs/dbraw/zinc/93/64/12/534936412.db2.gz OVLAQDRRTXPBPD-UHFFFAOYSA-N 1 3 341.503 2.284 10 0 EEAEHO O=C(NC1CCC([NH+]2CCCCC2)CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000751103079 577748124 /nfs/dbraw/zinc/74/81/24/577748124.db2.gz MDDGLKSEQBINAW-CTWPCTMYSA-N 1 3 346.519 2.439 10 0 EEAEHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2n[nH]c(C)c2C)CC1 ZINC000894763182 683080075 /nfs/dbraw/zinc/08/00/75/683080075.db2.gz JHQKOFOWHZVSNN-UHFFFAOYSA-N 1 3 349.523 2.087 10 0 EEAEHO Cc1cnc([C@@H](C)[NH2+]CCC[C@H](C)NC(=O)C2(N(C)C)CCC2)cn1 ZINC001485723421 1191910552 /nfs/dbraw/zinc/91/05/52/1191910552.db2.gz DHSPKMGONUCZDN-GOEBONIOSA-N 1 3 347.507 2.205 10 0 EEAEHO Cc1cncc(C[NH2+]CCC[C@H](C)NC(=O)CN2CC[C@H](C)C2)c1 ZINC001485739762 1191916982 /nfs/dbraw/zinc/91/69/82/1191916982.db2.gz ZRIZPKFZQCJUFY-RDJZCZTQSA-N 1 3 332.492 2.106 10 0 EEAEHO Cc1cccnc1CN[C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001266641549 1177041719 /nfs/dbraw/zinc/04/17/19/1177041719.db2.gz HTNLTOLRSAEQCS-IYARVYRRSA-N 1 3 344.503 2.393 10 0 EEAEHO Cc1cncc(CN2CC[C@H](CNC(=O)CCCC[NH+](C)C)C2)c1 ZINC001691165666 1177663005 /nfs/dbraw/zinc/66/30/05/1177663005.db2.gz CWKLMYZXQCDKSK-QGZVFWFLSA-N 1 3 332.492 2.060 10 0 EEAEHO C[C@@H]1CC[N@H+](CC(=O)NCCN(C)Cc2ccc3cc[nH]c3c2)C1 ZINC001480914327 1178114632 /nfs/dbraw/zinc/11/46/32/1178114632.db2.gz WUJGAOQVBYZPGR-OAHLLOKOSA-N 1 3 328.460 2.058 10 0 EEAEHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)Cc2ccc3cc[nH]c3c2)C1 ZINC001480914327 1178114636 /nfs/dbraw/zinc/11/46/36/1178114636.db2.gz WUJGAOQVBYZPGR-OAHLLOKOSA-N 1 3 328.460 2.058 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCCCF)C1 ZINC001267069762 1178185689 /nfs/dbraw/zinc/18/56/89/1178185689.db2.gz CWZUTPPFNZGFGU-IRXDYDNUSA-N 1 3 327.488 2.439 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]CC[C@@H]2CCc3ccccc32)C1 ZINC001267429196 1178995774 /nfs/dbraw/zinc/99/57/74/1178995774.db2.gz SEKSIGCPWCPDGU-MJGOQNOKSA-N 1 3 343.515 2.496 10 0 EEAEHO CC[C@@H](C(=O)N(C)CC[NH2+]CC[C@H]1CCc2ccccc21)N(C)C ZINC001267430598 1179005918 /nfs/dbraw/zinc/00/59/18/1179005918.db2.gz RQDFIRFNKXXNDY-MJGOQNOKSA-N 1 3 331.504 2.495 10 0 EEAEHO Cc1cc(CNCCN(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)sn1 ZINC001267455989 1179038237 /nfs/dbraw/zinc/03/82/37/1179038237.db2.gz JEMOVEIAHAUWCE-HUUCEWRRSA-N 1 3 338.521 2.120 10 0 EEAEHO COc1ccc(C)cc1CNCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001267473298 1179104335 /nfs/dbraw/zinc/10/43/35/1179104335.db2.gz INWYJXBTIUXRGF-IRXDYDNUSA-N 1 3 347.503 2.424 10 0 EEAEHO O=C(NCC1CN(CCCCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001267685199 1180157593 /nfs/dbraw/zinc/15/75/93/1180157593.db2.gz AUWAIXFIFHCPGN-UHFFFAOYSA-N 1 3 325.472 2.050 10 0 EEAEHO Cc1ncoc1C[NH2+]CCC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001267921173 1180768117 /nfs/dbraw/zinc/76/81/17/1180768117.db2.gz LAOPBSMPOGOJOJ-UHFFFAOYSA-N 1 3 336.480 2.042 10 0 EEAEHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001481461878 1181456135 /nfs/dbraw/zinc/45/61/35/1181456135.db2.gz KHLFZVZZSXUPFR-CQSZACIVSA-N 1 3 331.451 2.200 10 0 EEAEHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001481461878 1181456141 /nfs/dbraw/zinc/45/61/41/1181456141.db2.gz KHLFZVZZSXUPFR-CQSZACIVSA-N 1 3 331.451 2.200 10 0 EEAEHO Cc1ccccc1OCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001268078257 1181686268 /nfs/dbraw/zinc/68/62/68/1181686268.db2.gz CMTUDHWIEPMKCW-QZTJIDSGSA-N 1 3 347.503 2.295 10 0 EEAEHO CCN(CC[NH2+]Cc1cccnc1C)C(=O)CN1CCC(C)CC1 ZINC001268486481 1182965445 /nfs/dbraw/zinc/96/54/45/1182965445.db2.gz ATEYRNBSNWCECA-UHFFFAOYSA-N 1 3 332.492 2.060 10 0 EEAEHO Cc1ncoc1CNC[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001481963354 1183037327 /nfs/dbraw/zinc/03/73/27/1183037327.db2.gz VRNUDIVONSRDND-KDOFPFPSSA-N 1 3 336.480 2.089 10 0 EEAEHO Cc1ncc(C[NH2+]CC[C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)o1 ZINC001481976134 1183073120 /nfs/dbraw/zinc/07/31/20/1183073120.db2.gz FGVRIVZBMLVGQE-INIZCTEOSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)CN(C)C(C)C)CC2)s1 ZINC001482027840 1183158475 /nfs/dbraw/zinc/15/84/75/1183158475.db2.gz RBXCGDOQRILYHL-SHTZXODSSA-N 1 3 338.521 2.309 10 0 EEAEHO O=C(NC/C=C/CNCc1ccc(F)cc1)C12CCC[NH+](CCC1)C2 ZINC001268555474 1183246362 /nfs/dbraw/zinc/24/63/62/1183246362.db2.gz JSLBZAXNCUZXBD-OWOJBTEDSA-N 1 3 345.462 2.464 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCOC(C)C ZINC001269472174 1184292317 /nfs/dbraw/zinc/29/23/17/1184292317.db2.gz WMEYPWVIVIDFPA-MAUKXSAKSA-N 1 3 345.503 2.108 10 0 EEAEHO CC(C)OCCC[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001270017624 1184789636 /nfs/dbraw/zinc/78/96/36/1184789636.db2.gz JGPLVVLSECKDAW-KZNAEPCWSA-N 1 3 339.524 2.160 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001270020383 1184791538 /nfs/dbraw/zinc/79/15/38/1184791538.db2.gz ASYMVQLDSARRME-AEFFLSMTSA-N 1 3 333.451 2.043 10 0 EEAEHO CC(C)OCC[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001270041837 1184805949 /nfs/dbraw/zinc/80/59/49/1184805949.db2.gz KYYWIPZICGPWOA-VPLLLXJESA-N 1 3 339.524 2.301 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(N(C)C)c1 ZINC001482370149 1185535397 /nfs/dbraw/zinc/53/53/97/1185535397.db2.gz RYGTZAYRBFLXCY-MRXNPFEDSA-N 1 3 334.508 2.029 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccc(F)cn1 ZINC001482444108 1185751190 /nfs/dbraw/zinc/75/11/90/1185751190.db2.gz IQTOPRCLCACZLD-ZWKOTPCHSA-N 1 3 348.466 2.176 10 0 EEAEHO CCOCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001270959114 1185773798 /nfs/dbraw/zinc/77/37/98/1185773798.db2.gz SHDAQRRPVABHPZ-MJGOQNOKSA-N 1 3 339.524 2.114 10 0 EEAEHO CCOCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001270959114 1185773800 /nfs/dbraw/zinc/77/38/00/1185773800.db2.gz SHDAQRRPVABHPZ-MJGOQNOKSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1nc(C(C)C)ccc1C[NH2+]C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001483266239 1190291448 /nfs/dbraw/zinc/29/14/48/1190291448.db2.gz ICHGVRGSQOTDKH-CVEARBPZSA-N 1 3 346.519 2.450 10 0 EEAEHO CCCC[C@@H](CNCc1cncc(C)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001409837607 1190668405 /nfs/dbraw/zinc/66/84/05/1190668405.db2.gz LBVVGPICAOPAQM-ROUUACIJSA-N 1 3 332.492 2.106 10 0 EEAEHO CCCC[C@@H](CNCc1cncc(C)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001409837607 1190668410 /nfs/dbraw/zinc/66/84/10/1190668410.db2.gz LBVVGPICAOPAQM-ROUUACIJSA-N 1 3 332.492 2.106 10 0 EEAEHO COc1cccc([C@@H](C)[NH2+]C2(CNC(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC001483767180 1191000946 /nfs/dbraw/zinc/00/09/46/1191000946.db2.gz CHJSRKKFSRTTGE-JKSUJKDBSA-N 1 3 345.487 2.336 10 0 EEAEHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@@H](C)C2)sn1 ZINC001483918354 1191116249 /nfs/dbraw/zinc/11/62/49/1191116249.db2.gz XXAQKQHPLHMYDD-GJZGRUSLSA-N 1 3 338.521 2.261 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(CNCc3cc(C)no3)C2)CC[N@@H+]1C ZINC001484092926 1191207292 /nfs/dbraw/zinc/20/72/92/1191207292.db2.gz CKQGXKIYRYKXIH-YQVWRLOYSA-N 1 3 348.491 2.042 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(CNCc3cc(C)no3)C2)CC[N@H+]1C ZINC001484092926 1191207296 /nfs/dbraw/zinc/20/72/96/1191207296.db2.gz CKQGXKIYRYKXIH-YQVWRLOYSA-N 1 3 348.491 2.042 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCCN(CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001484162298 1191250324 /nfs/dbraw/zinc/25/03/24/1191250324.db2.gz ZFERALFWGRILJP-IIAWOOMASA-N 1 3 349.441 2.497 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCCN(CCC(F)(F)F)C2)CC[N@H+]1C ZINC001484162298 1191250326 /nfs/dbraw/zinc/25/03/26/1191250326.db2.gz ZFERALFWGRILJP-IIAWOOMASA-N 1 3 349.441 2.497 10 0 EEAEHO C[NH+](C)CCC(=O)N1CC[C@@H](CCNCc2ccc(F)cc2F)C1 ZINC001484535828 1191403783 /nfs/dbraw/zinc/40/37/83/1191403783.db2.gz LIOBGJQBEDHKEQ-CQSZACIVSA-N 1 3 339.430 2.245 10 0 EEAEHO CC(C)N1CCc2ccccc2[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485006420 1191612628 /nfs/dbraw/zinc/61/26/28/1191612628.db2.gz SEVSQYHMGZEVAG-LPHOPBHVSA-N 1 3 329.488 2.452 10 0 EEAEHO CC(C)N1CCc2ccccc2[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001485006420 1191612629 /nfs/dbraw/zinc/61/26/29/1191612629.db2.gz SEVSQYHMGZEVAG-LPHOPBHVSA-N 1 3 329.488 2.452 10 0 EEAEHO Cc1nn(C(C)C)cc1CN[C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001485189267 1191685473 /nfs/dbraw/zinc/68/54/73/1191685473.db2.gz KYEONLXGACFFOA-CABCVRRESA-N 1 3 349.523 2.097 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)CC[C@H]2CCCCO2)CC1 ZINC001410254599 1197639593 /nfs/dbraw/zinc/63/95/93/1197639593.db2.gz BXJVXOHKDJVLBA-GOSISDBHSA-N 1 3 339.524 2.209 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)CC[C@H]2CCCCO2)CC1 ZINC001410254599 1197639594 /nfs/dbraw/zinc/63/95/94/1197639594.db2.gz BXJVXOHKDJVLBA-GOSISDBHSA-N 1 3 339.524 2.209 10 0 EEAEHO COc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)c1 ZINC001410862666 1198512941 /nfs/dbraw/zinc/51/29/41/1198512941.db2.gz STVDOXLVLBNHGE-MAUKXSAKSA-N 1 3 333.476 2.114 10 0 EEAEHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCCCC(F)(F)F ZINC001274261053 1204978199 /nfs/dbraw/zinc/97/81/99/1204978199.db2.gz ORLXRJNCSCOXAT-WCQYABFASA-N 1 3 332.370 2.121 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC/C=C/C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001274534365 1205070254 /nfs/dbraw/zinc/07/02/54/1205070254.db2.gz LNUAIFJZLHOITP-HSWBROFVSA-N 1 3 340.418 2.348 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001275421620 1205352191 /nfs/dbraw/zinc/35/21/91/1205352191.db2.gz LENNDWRIKWHEFU-YOEHRIQHSA-N 1 3 340.471 2.475 10 0 EEAEHO Cc1nc(C)c(CNCCCN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)o1 ZINC001276070636 1205760070 /nfs/dbraw/zinc/76/00/70/1205760070.db2.gz JSZNXKVNNSHZMA-IRXDYDNUSA-N 1 3 348.491 2.246 10 0 EEAEHO Cc1nc(C)c(CNCCCN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)o1 ZINC001276070636 1205760071 /nfs/dbraw/zinc/76/00/71/1205760071.db2.gz JSZNXKVNNSHZMA-IRXDYDNUSA-N 1 3 348.491 2.246 10 0 EEAEHO Cc1nc(CNCCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)sc1C ZINC001276213639 1205839207 /nfs/dbraw/zinc/83/92/07/1205839207.db2.gz BLRFALWFNGVPKM-MRXNPFEDSA-N 1 3 340.537 2.284 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CC[N@@H+]1C ZINC000925324557 1206097272 /nfs/dbraw/zinc/09/72/72/1206097272.db2.gz NHTGNNPNULQXRU-SCTDSRPQSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CC[N@H+]1C ZINC000925324557 1206097274 /nfs/dbraw/zinc/09/72/74/1206097274.db2.gz NHTGNNPNULQXRU-SCTDSRPQSA-N 1 3 344.503 2.385 10 0 EEAEHO C(Cc1nnc2n1CCCCC2)N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925534259 1206124392 /nfs/dbraw/zinc/12/43/92/1206124392.db2.gz UFSYCSWCIXHICJ-IRXDYDNUSA-N 1 3 331.508 2.305 10 0 EEAEHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)C1 ZINC000925734107 1206147752 /nfs/dbraw/zinc/14/77/52/1206147752.db2.gz NJVQMATYKFGZRN-KCYZZUKISA-N 1 3 336.501 2.487 10 0 EEAEHO CCCCN(CCCS(=O)(=O)NC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033933 1206601799 /nfs/dbraw/zinc/60/17/99/1206601799.db2.gz NAUTXEMGYWIYQH-UHFFFAOYSA-N 1 3 347.569 2.337 10 0 EEAEHO CCN1CCN(CCC[NH2+][C@H](C)[C@@H]2COc3ccccc3C2)CC1 ZINC000902745454 1238381617 /nfs/dbraw/zinc/38/16/17/1238381617.db2.gz OJMXALAETQPMAV-MJGOQNOKSA-N 1 3 331.504 2.243 10 0 EEAEHO c1cc([C@@H]2CCCN2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc2c1OCO2 ZINC000903729178 1241743088 /nfs/dbraw/zinc/74/30/88/1241743088.db2.gz JYWBEYJAXBHCCT-TXPKVOOTSA-N 1 3 330.428 2.321 10 0 EEAEHO c1ccc2c(c1)COC21CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903731529 1241756507 /nfs/dbraw/zinc/75/65/07/1241756507.db2.gz ABLOTQMAJHDWTN-PKOBYXMFSA-N 1 3 328.456 2.277 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN2CC[C@H](c3cccc(F)c3)C2)cnn1C ZINC000903890307 1242346897 /nfs/dbraw/zinc/34/68/97/1242346897.db2.gz BVINHNYALWCQHJ-WBVHZDCISA-N 1 3 330.451 2.475 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CNCCc2csc(C(C)C)n2)cnn1C ZINC000903925538 1242520188 /nfs/dbraw/zinc/52/01/88/1242520188.db2.gz NTFABORZRJUHFD-AWEZNQCLSA-N 1 3 335.521 2.258 10 0 EEAEHO Cc1c(C[C@@H](CN)C[NH2+]CCc2csc(C(C)C)n2)cnn1C ZINC000903925538 1242520196 /nfs/dbraw/zinc/52/01/96/1242520196.db2.gz NTFABORZRJUHFD-AWEZNQCLSA-N 1 3 335.521 2.258 10 0 EEAEHO COCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001491219299 1258799784 /nfs/dbraw/zinc/79/97/84/1258799784.db2.gz OWPGENMOMFQOHT-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO COCCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001491219299 1258799792 /nfs/dbraw/zinc/79/97/92/1258799792.db2.gz OWPGENMOMFQOHT-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO CCNC(=O)COc1cccc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925484940 1280971374 /nfs/dbraw/zinc/97/13/74/1280971374.db2.gz KTAKAGYTIQMOSG-HOTGVXAUSA-N 1 3 333.476 2.197 10 0 EEAEHO Cc1cncc(CN(CCCNC(=O)C[N@H+]2CC[C@@H](C)C2)C2CC2)c1 ZINC001490385145 1291271684 /nfs/dbraw/zinc/27/16/84/1291271684.db2.gz GWZJZHGAOHNLLI-MRXNPFEDSA-N 1 3 344.503 2.203 10 0 EEAEHO Cc1cncc(CN(CCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C2CC2)c1 ZINC001490385145 1291271689 /nfs/dbraw/zinc/27/16/89/1291271689.db2.gz GWZJZHGAOHNLLI-MRXNPFEDSA-N 1 3 344.503 2.203 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc(Cl)n1 ZINC000841849899 1315623353 /nfs/dbraw/zinc/62/33/53/1315623353.db2.gz OOIOCDYHZRBDTA-ZGKBOVNRSA-N 1 3 336.867 2.019 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc(Cl)n1 ZINC000841851149 1315623398 /nfs/dbraw/zinc/62/33/98/1315623398.db2.gz KZSOYAQWHZYVKG-YOEHRIQHSA-N 1 3 336.867 2.035 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1CCOCc1ccccc1 ZINC001278520038 1317127273 /nfs/dbraw/zinc/12/72/73/1317127273.db2.gz BSODZGNZNMPVQV-MJGOQNOKSA-N 1 3 347.503 2.124 10 0 EEAEHO CC(C)=CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCOCC1 ZINC001278718230 1317841718 /nfs/dbraw/zinc/84/17/18/1317841718.db2.gz KGFFWJMOFHMUNE-UHFFFAOYSA-N 1 3 337.508 2.082 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001264409037 1322693331 /nfs/dbraw/zinc/69/33/31/1322693331.db2.gz ZZHVKICQRHCHHY-GASCZTMLSA-N 1 3 338.883 2.061 10 0 EEAEHO C[C@H]1CC[C@H](C[N@H+](C)CCCNC(=O)c2cccc(CN(C)C)c2)O1 ZINC001265072694 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EEAEHO C[C@@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001479322641 1110681302 /nfs/dbraw/zinc/68/13/02/1110681302.db2.gz XWCFGZNITBOLIG-ZXFNITATSA-N 1 3 345.478 2.431 10 0 EEAEHO CO[C@@H](C[NH+]1CCC(C)(NC(=O)CN(C)C(C)C)CC1)C1CCC1 ZINC001500012239 1112578867 /nfs/dbraw/zinc/57/88/67/1112578867.db2.gz AZDREZNRHFGJNS-KRWDZBQOSA-N 1 3 339.524 2.112 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCc4ccccc43)C[C@@H]2C1 ZINC001501240665 1113258387 /nfs/dbraw/zinc/25/83/87/1113258387.db2.gz QNIASHJURNYHKH-NSHGMRRFSA-N 1 3 341.499 2.406 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCc4ccccc43)C[C@@H]2C1 ZINC001501240665 1113258390 /nfs/dbraw/zinc/25/83/90/1113258390.db2.gz QNIASHJURNYHKH-NSHGMRRFSA-N 1 3 341.499 2.406 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001501544537 1113376958 /nfs/dbraw/zinc/37/69/58/1113376958.db2.gz NBQLIIXHKLFTKD-QAPCUYQASA-N 1 3 333.451 2.248 10 0 EEAEHO COc1cc(CN2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C)ccc1C ZINC001502987937 1113867735 /nfs/dbraw/zinc/86/77/35/1113867735.db2.gz NFKCWGNPCSFVQY-AEFFLSMTSA-N 1 3 347.503 2.424 10 0 EEAEHO Cc1cncc(CN[C@@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001507105103 1115110721 /nfs/dbraw/zinc/11/07/21/1115110721.db2.gz GFUZSMQLLHDOIK-INIZCTEOSA-N 1 3 332.492 2.201 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)[C@@H]2C1 ZINC001507369640 1115228796 /nfs/dbraw/zinc/22/87/96/1115228796.db2.gz VDEURECXTMPJLP-UTOJKVIPSA-N 1 3 327.900 2.296 10 0 EEAEHO CCOCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001507401870 1115252141 /nfs/dbraw/zinc/25/21/41/1115252141.db2.gz PZLPKLFEPCOVEJ-SJORKVTESA-N 1 3 339.524 2.162 10 0 EEAEHO CN(C)C1(C(=O)NCC2=CC[N@H+](C[C@@H]3CC(C)(C)CO3)CC2)CCC1 ZINC001508206836 1115445164 /nfs/dbraw/zinc/44/51/64/1115445164.db2.gz QHVTYHNHYCTINM-KRWDZBQOSA-N 1 3 349.519 2.034 10 0 EEAEHO CN(C)C1(C(=O)NCC2=CC[N@@H+](C[C@@H]3CC(C)(C)CO3)CC2)CCC1 ZINC001508206836 1115445167 /nfs/dbraw/zinc/44/51/67/1115445167.db2.gz QHVTYHNHYCTINM-KRWDZBQOSA-N 1 3 349.519 2.034 10 0 EEAEHO CN(C)C1(C(=O)N[C@H](C[NH2+]CCCF)C2CCCCC2)CCC1 ZINC001568343712 1124428623 /nfs/dbraw/zinc/42/86/23/1124428623.db2.gz OKLCKGZTTBBZSO-MRXNPFEDSA-N 1 3 327.488 2.485 10 0 EEAEHO CN(CCC[NH2+]Cc1ccc(Cl)s1)C(=O)[C@H]1CCCN1C ZINC001569188049 1125153246 /nfs/dbraw/zinc/15/32/46/1125153246.db2.gz BKGFEFMDGPCENA-CYBMUJFWSA-N 1 3 329.897 2.434 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)C2(N(C)C)CCC2)s1 ZINC001569210173 1125166786 /nfs/dbraw/zinc/16/67/86/1125166786.db2.gz QJEGZDINOFDCOH-UHFFFAOYSA-N 1 3 338.521 2.182 10 0 EEAEHO C[C@H](C(=O)N(C)CCCN[C@@H](C)c1cnccn1)[NH+]1CCCCCC1 ZINC001569246751 1125192793 /nfs/dbraw/zinc/19/27/93/1125192793.db2.gz OITYYCWWNQOVRU-DLBZAZTESA-N 1 3 347.507 2.240 10 0 EEAEHO Cc1ncoc1CNCCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001569270070 1125208394 /nfs/dbraw/zinc/20/83/94/1125208394.db2.gz ILHAQLXPSDABIO-QGZVFWFLSA-N 1 3 336.480 2.042 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C2CC2)C1 ZINC001569320181 1125227993 /nfs/dbraw/zinc/22/79/93/1125227993.db2.gz NEBKOOYVIJVYEE-RKHPVMGFSA-N 1 3 345.890 2.436 10 0 EEAEHO CCOCC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1CC ZINC001569339952 1125240222 /nfs/dbraw/zinc/24/02/22/1125240222.db2.gz HEPCTIJMFDFBIX-DLBZAZTESA-N 1 3 341.540 2.218 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000186999869 236091543 /nfs/dbraw/zinc/09/15/43/236091543.db2.gz IIVXKPDSUKAVEJ-SFHVURJKSA-N 1 3 346.519 2.285 10 0 EEAEHO CC[NH+]1CCC(CCNC(=O)N[C@@H](CC(C)C)CN(C)C)CC1 ZINC000073722129 203271436 /nfs/dbraw/zinc/27/14/36/203271436.db2.gz OKXIGNLZDBOCAO-KRWDZBQOSA-N 1 3 326.529 2.384 10 0 EEAEHO CC[N@H+](Cc1ccc(C(=O)N2CCO[C@H](CN(C)C)C2)cc1)C(C)C ZINC000116789111 285097628 /nfs/dbraw/zinc/09/76/28/285097628.db2.gz GFOIDOJTBRCQKQ-LJQANCHMSA-N 1 3 347.503 2.320 10 0 EEAEHO CC[N@@H+](Cc1ccc(C(=O)N2CCO[C@H](CN(C)C)C2)cc1)C(C)C ZINC000116789111 285097632 /nfs/dbraw/zinc/09/76/32/285097632.db2.gz GFOIDOJTBRCQKQ-LJQANCHMSA-N 1 3 347.503 2.320 10 0 EEAEHO CN(C)CCN(Cc1ccccc1F)C(=O)CC1CC[NH+](C)CC1 ZINC000273249553 256280682 /nfs/dbraw/zinc/28/06/82/256280682.db2.gz RLDBFCQVCAAEQI-UHFFFAOYSA-N 1 3 335.467 2.448 10 0 EEAEHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173892154 152206275 /nfs/dbraw/zinc/20/62/75/152206275.db2.gz CCQNFDPVINEHEC-ROUUACIJSA-N 1 3 334.508 2.297 10 0 EEAEHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173892154 152206283 /nfs/dbraw/zinc/20/62/83/152206283.db2.gz CCQNFDPVINEHEC-ROUUACIJSA-N 1 3 334.508 2.297 10 0 EEAEHO Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1-n1cncn1 ZINC000246204542 160267330 /nfs/dbraw/zinc/26/73/30/160267330.db2.gz MBMHPYXKEQOFOC-HKUYNNGSSA-N 1 3 325.460 2.492 10 0 EEAEHO Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1-n1cncn1 ZINC000246204542 160267331 /nfs/dbraw/zinc/26/73/31/160267331.db2.gz MBMHPYXKEQOFOC-HKUYNNGSSA-N 1 3 325.460 2.492 10 0 EEAEHO Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)ccc1-n1cncn1 ZINC000246204542 160267332 /nfs/dbraw/zinc/26/73/32/160267332.db2.gz MBMHPYXKEQOFOC-HKUYNNGSSA-N 1 3 325.460 2.492 10 0 EEAEHO Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)ccc1-n1cncn1 ZINC000246204542 160267333 /nfs/dbraw/zinc/26/73/33/160267333.db2.gz MBMHPYXKEQOFOC-HKUYNNGSSA-N 1 3 325.460 2.492 10 0 EEAEHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000247990834 160336348 /nfs/dbraw/zinc/33/63/48/160336348.db2.gz JBYZLCRQTFMBMA-WDSOQIARSA-N 1 3 344.503 2.415 10 0 EEAEHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000247990834 160336349 /nfs/dbraw/zinc/33/63/49/160336349.db2.gz JBYZLCRQTFMBMA-WDSOQIARSA-N 1 3 344.503 2.415 10 0 EEAEHO CC(C)[NH+]1CCC(N2CCN(C[C@@H](O)C3CCCCC3)CC2)CC1 ZINC000352880430 162327415 /nfs/dbraw/zinc/32/74/15/162327415.db2.gz AGIZTTDDMDNDPF-HXUWFJFHSA-N 1 3 337.552 2.418 10 0 EEAEHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCCc3n[nH]cc32)C1 ZINC000375898705 275053911 /nfs/dbraw/zinc/05/39/11/275053911.db2.gz WKJGIAHYUUPMPS-SJLPKXTDSA-N 1 3 326.444 2.144 10 0 EEAEHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCCc3n[nH]cc32)C1 ZINC000375898705 275053913 /nfs/dbraw/zinc/05/39/13/275053913.db2.gz WKJGIAHYUUPMPS-SJLPKXTDSA-N 1 3 326.444 2.144 10 0 EEAEHO CC(C)N1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000192804677 277610857 /nfs/dbraw/zinc/61/08/57/277610857.db2.gz RHSGCFIXVNZZEI-OALUTQOASA-N 1 3 333.524 2.373 10 0 EEAEHO CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)Cc1ccc(OC)cc1 ZINC000414682141 313062985 /nfs/dbraw/zinc/06/29/85/313062985.db2.gz XVKQIBCVSWUAAN-AEFFLSMTSA-N 1 3 347.503 2.145 10 0 EEAEHO CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)Cc1ccc(OC)cc1 ZINC000414682141 313062989 /nfs/dbraw/zinc/06/29/89/313062989.db2.gz XVKQIBCVSWUAAN-AEFFLSMTSA-N 1 3 347.503 2.145 10 0 EEAEHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]C[C@@H]2C)c(OC)c1 ZINC000414939058 313112901 /nfs/dbraw/zinc/11/29/01/313112901.db2.gz JCGUVJDOHOQTKA-KCQAQPDRSA-N 1 3 335.448 2.009 10 0 EEAEHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)c(OC)c1 ZINC000414939058 313112905 /nfs/dbraw/zinc/11/29/05/313112905.db2.gz JCGUVJDOHOQTKA-KCQAQPDRSA-N 1 3 335.448 2.009 10 0 EEAEHO CN(C)Cc1cccc(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000563559405 319023429 /nfs/dbraw/zinc/02/34/29/319023429.db2.gz CXEDVXRGPCXYGQ-LJQANCHMSA-N 1 3 330.476 2.033 10 0 EEAEHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000572974608 319894545 /nfs/dbraw/zinc/89/45/45/319894545.db2.gz BULSBYCTLBZQRB-LPHOPBHVSA-N 1 3 344.503 2.257 10 0 EEAEHO C[C@@H](NC(=O)N1CCc2ccccc2[C@@H]1CN)C(C)(C)C[NH+](C)C ZINC000575178539 320093643 /nfs/dbraw/zinc/09/36/43/320093643.db2.gz HBTUMDGBMQUTMC-PBHICJAKSA-N 1 3 332.492 2.230 10 0 EEAEHO COc1ccccc1COC[C@@H](O)C[NH2+]C1CC(N2CCCCC2)C1 ZINC000576747962 320200672 /nfs/dbraw/zinc/20/06/72/320200672.db2.gz ZPMYZZUBSXPNRG-ACBHZAAOSA-N 1 3 348.487 2.179 10 0 EEAEHO CC(C)N1CCC([N@H+](C)CCc2nnnn2-c2ccccc2)CC1 ZINC000328674336 465097760 /nfs/dbraw/zinc/09/77/60/465097760.db2.gz JSMTZBBMDUMASW-UHFFFAOYSA-N 1 3 328.464 2.009 10 0 EEAEHO CC(C)N1CCC([N@@H+](C)CCc2nnnn2-c2ccccc2)CC1 ZINC000328674336 465097766 /nfs/dbraw/zinc/09/77/66/465097766.db2.gz JSMTZBBMDUMASW-UHFFFAOYSA-N 1 3 328.464 2.009 10 0 EEAEHO Cc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c(OCCN(C)C)c1 ZINC000154641821 462792554 /nfs/dbraw/zinc/79/25/54/462792554.db2.gz JVAMFIYJGCMLCL-HNNXBMFYSA-N 1 3 334.464 2.103 10 0 EEAEHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000091333267 462873663 /nfs/dbraw/zinc/87/36/63/462873663.db2.gz YZRZDAOFQRVOAQ-GJZGRUSLSA-N 1 3 339.505 2.105 10 0 EEAEHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000052519286 463084057 /nfs/dbraw/zinc/08/40/57/463084057.db2.gz COEJRPJWNIBOCY-GOSISDBHSA-N 1 3 332.492 2.422 10 0 EEAEHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000097358952 463355660 /nfs/dbraw/zinc/35/56/60/463355660.db2.gz YKDQFIHPLOGBFC-SJLPKXTDSA-N 1 3 332.492 2.463 10 0 EEAEHO CN1CCC[C@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000072036210 463481019 /nfs/dbraw/zinc/48/10/19/463481019.db2.gz LGUCDBSJTLZCFF-IBGZPJMESA-N 1 3 344.503 2.292 10 0 EEAEHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H](N(C)C)C1 ZINC000170827038 463715065 /nfs/dbraw/zinc/71/50/65/463715065.db2.gz LUPPVNUNOUPYFH-SFHVURJKSA-N 1 3 332.492 2.374 10 0 EEAEHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCCN1C)Cc1ccccc1 ZINC000195127744 463997366 /nfs/dbraw/zinc/99/73/66/463997366.db2.gz FSPJGYUWVZZLRH-RBUKOAKNSA-N 1 3 346.519 2.333 10 0 EEAEHO CCC[N@H+](CC)CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245674752 464504802 /nfs/dbraw/zinc/50/48/02/464504802.db2.gz SWQGUKJHJYRKEB-ROUUACIJSA-N 1 3 332.492 2.463 10 0 EEAEHO CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245674752 464504807 /nfs/dbraw/zinc/50/48/07/464504807.db2.gz SWQGUKJHJYRKEB-ROUUACIJSA-N 1 3 332.492 2.463 10 0 EEAEHO CN(C)C[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000246915543 464632661 /nfs/dbraw/zinc/63/26/61/464632661.db2.gz GGMNHUSVTUBNBH-KSZLIROESA-N 1 3 332.492 2.461 10 0 EEAEHO O=C(NC[C@@H]1CCCCN1C1CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000366347619 465670026 /nfs/dbraw/zinc/67/00/26/465670026.db2.gz UDTGSWGKRGFLNQ-NXYGQSRBSA-N 1 3 334.508 2.319 10 0 EEAEHO Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000371341418 465731594 /nfs/dbraw/zinc/73/15/94/465731594.db2.gz OAZPUIKRHRNJJV-PWIZWCRZSA-N 1 3 349.494 2.125 10 0 EEAEHO Cc1cc(F)ccc1[C@H](O)C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000371341418 465731602 /nfs/dbraw/zinc/73/16/02/465731602.db2.gz OAZPUIKRHRNJJV-PWIZWCRZSA-N 1 3 349.494 2.125 10 0 EEAEHO C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000353637359 466028167 /nfs/dbraw/zinc/02/81/67/466028167.db2.gz KXZYLTVRDNNCQP-FMKPAKJESA-N 1 3 338.521 2.380 10 0 EEAEHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCNc2ccncc2)C1 ZINC000349954998 466326514 /nfs/dbraw/zinc/32/65/14/466326514.db2.gz YZEMFARLCAPAIY-MRXNPFEDSA-N 1 3 347.507 2.115 10 0 EEAEHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCNc2ccncc2)C1 ZINC000349954998 466326519 /nfs/dbraw/zinc/32/65/19/466326519.db2.gz YZEMFARLCAPAIY-MRXNPFEDSA-N 1 3 347.507 2.115 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@H](N)c2ccccc2)C1 ZINC000417042149 466762391 /nfs/dbraw/zinc/76/23/91/466762391.db2.gz WUKXHIKBGDBRTM-JZXOWHBKSA-N 1 3 332.492 2.354 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@H](N)c2ccccc2)C1 ZINC000417042149 466762394 /nfs/dbraw/zinc/76/23/94/466762394.db2.gz WUKXHIKBGDBRTM-JZXOWHBKSA-N 1 3 332.492 2.354 10 0 EEAEHO C[C@H]1CCCCN1CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411421789 466824827 /nfs/dbraw/zinc/82/48/27/466824827.db2.gz WECIOGRGGVFJGO-RDJZCZTQSA-N 1 3 339.549 2.195 10 0 EEAEHO CN1CCC[C@@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@@H]1c1cccs1 ZINC000417737757 466920976 /nfs/dbraw/zinc/92/09/76/466920976.db2.gz OFDGMZIWUPFDIT-WBTNSWJXSA-N 1 3 348.516 2.134 10 0 EEAEHO C[C@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1ccc(OCCN(C)C)cc1 ZINC000424329988 467030378 /nfs/dbraw/zinc/03/03/78/467030378.db2.gz RGKYGNINAHIGJD-JKSUJKDBSA-N 1 3 333.476 2.146 10 0 EEAEHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])N(C)C)cc1 ZINC000418203748 467074720 /nfs/dbraw/zinc/07/47/20/467074720.db2.gz KOIDYOSXQQKZKH-KEYYUXOJSA-N 1 3 336.480 2.111 10 0 EEAEHO CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418467686 467115141 /nfs/dbraw/zinc/11/51/41/467115141.db2.gz OVHIFIPZOKEZRA-QZTJIDSGSA-N 1 3 332.492 2.420 10 0 EEAEHO CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CNCCCO2)cc1 ZINC000415048907 467475114 /nfs/dbraw/zinc/47/51/14/467475114.db2.gz XSADPOYGQMBODC-MAUKXSAKSA-N 1 3 333.476 2.495 10 0 EEAEHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407352479 467484191 /nfs/dbraw/zinc/48/41/91/467484191.db2.gz CFDPLJDFCPSAPD-OTWHNJEPSA-N 1 3 327.472 2.298 10 0 EEAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCN2CCC(O)CC2)CC1 ZINC000449649503 467676607 /nfs/dbraw/zinc/67/66/07/467676607.db2.gz ITEWXDMLSDXWAZ-SFHVURJKSA-N 1 3 345.531 2.128 10 0 EEAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCN2CCC(O)CC2)CC1 ZINC000449649503 467676611 /nfs/dbraw/zinc/67/66/11/467676611.db2.gz ITEWXDMLSDXWAZ-SFHVURJKSA-N 1 3 345.531 2.128 10 0 EEAEHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530029954 467942139 /nfs/dbraw/zinc/94/21/39/467942139.db2.gz QPQKBEHGNOWHSG-GOSISDBHSA-N 1 3 349.519 2.155 10 0 EEAEHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000530029954 467942140 /nfs/dbraw/zinc/94/21/40/467942140.db2.gz QPQKBEHGNOWHSG-GOSISDBHSA-N 1 3 349.519 2.155 10 0 EEAEHO CN1CC[C@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)[C@H]1c1ccccc1 ZINC000515223334 467980998 /nfs/dbraw/zinc/98/09/98/467980998.db2.gz NVSYBGRXEGQBRC-PBWTXFEYSA-N 1 3 344.503 2.496 10 0 EEAEHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000594926944 468723666 /nfs/dbraw/zinc/72/36/66/468723666.db2.gz ORRHMCTWQBLATA-NXWXRZEISA-N 1 3 330.472 2.338 10 0 EEAEHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000594926944 468723670 /nfs/dbraw/zinc/72/36/70/468723670.db2.gz ORRHMCTWQBLATA-NXWXRZEISA-N 1 3 330.472 2.338 10 0 EEAEHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000594926944 468723673 /nfs/dbraw/zinc/72/36/73/468723673.db2.gz ORRHMCTWQBLATA-NXWXRZEISA-N 1 3 330.472 2.338 10 0 EEAEHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000594968722 468733220 /nfs/dbraw/zinc/73/32/20/468733220.db2.gz IYBHAGXMWOJDIZ-BMGDILEWSA-N 1 3 331.460 2.081 10 0 EEAEHO CC[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)N1CCc2ccccc2C1 ZINC000561125640 468865092 /nfs/dbraw/zinc/86/50/92/468865092.db2.gz NSYCUKQAURAWGM-KFKAGJAMSA-N 1 3 344.503 2.121 10 0 EEAEHO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCCN(C)C2)c1 ZINC000604179239 469461650 /nfs/dbraw/zinc/46/16/50/469461650.db2.gz REECLRPBAXLESD-SFHVURJKSA-N 1 3 332.492 2.162 10 0 EEAEHO Cc1ccc(NC(=O)N[C@@H]2CCCN(C)C2)c(OCC[NH+](C)C)c1 ZINC000606589916 469620954 /nfs/dbraw/zinc/62/09/54/469620954.db2.gz MZJVYXIBHJWVRK-OAHLLOKOSA-N 1 3 334.464 2.151 10 0 EEAEHO C[N@@H+]1CC[C@@H](NCc2ccccc2CN2CCOCC2)CC1(C)C ZINC000623341863 469630144 /nfs/dbraw/zinc/63/01/44/469630144.db2.gz VFFHPVDHQRYGKD-LJQANCHMSA-N 1 3 331.504 2.481 10 0 EEAEHO C[N@H+]1CC[C@@H](NCc2ccccc2CN2CCOCC2)CC1(C)C ZINC000623341863 469630145 /nfs/dbraw/zinc/63/01/45/469630145.db2.gz VFFHPVDHQRYGKD-LJQANCHMSA-N 1 3 331.504 2.481 10 0 EEAEHO CN1CC[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)CC1(C)C ZINC000623341863 469630146 /nfs/dbraw/zinc/63/01/46/469630146.db2.gz VFFHPVDHQRYGKD-LJQANCHMSA-N 1 3 331.504 2.481 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc(Cl)cc1 ZINC000617503449 469700586 /nfs/dbraw/zinc/70/05/86/469700586.db2.gz JVHTVTGAAZEFOZ-AWEZNQCLSA-N 1 3 325.884 2.271 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc(Cl)cc1 ZINC000617503449 469700590 /nfs/dbraw/zinc/70/05/90/469700590.db2.gz JVHTVTGAAZEFOZ-AWEZNQCLSA-N 1 3 325.884 2.271 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1c(C)noc1C ZINC000617505172 469703653 /nfs/dbraw/zinc/70/36/53/469703653.db2.gz XEOVMDGMUGVZNF-BBRMVZONSA-N 1 3 338.496 2.173 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1c(C)noc1C ZINC000617505172 469703658 /nfs/dbraw/zinc/70/36/58/469703658.db2.gz XEOVMDGMUGVZNF-BBRMVZONSA-N 1 3 338.496 2.173 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(-c2ccccc2)no1 ZINC000617504574 469704597 /nfs/dbraw/zinc/70/45/97/469704597.db2.gz AURXAGXNOPQMBF-HNNXBMFYSA-N 1 3 344.459 2.343 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(-c2ccccc2)no1 ZINC000617504574 469704599 /nfs/dbraw/zinc/70/45/99/469704599.db2.gz AURXAGXNOPQMBF-HNNXBMFYSA-N 1 3 344.459 2.343 10 0 EEAEHO CC(C)[C@H]1C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000617506692 469705387 /nfs/dbraw/zinc/70/53/87/469705387.db2.gz WGEJVGQFSZMRBG-RCCFBDPRSA-N 1 3 341.540 2.216 10 0 EEAEHO CC(C)[C@H]1C[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000617506692 469705389 /nfs/dbraw/zinc/70/53/89/469705389.db2.gz WGEJVGQFSZMRBG-RCCFBDPRSA-N 1 3 341.540 2.216 10 0 EEAEHO Cc1cc(F)c(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1F ZINC000617507601 469705758 /nfs/dbraw/zinc/70/57/58/469705758.db2.gz BTKLQQHRUIVMML-AWEZNQCLSA-N 1 3 341.446 2.204 10 0 EEAEHO Cc1cc(F)c(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1F ZINC000617507601 469705763 /nfs/dbraw/zinc/70/57/63/469705763.db2.gz BTKLQQHRUIVMML-AWEZNQCLSA-N 1 3 341.446 2.204 10 0 EEAEHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627133880 469820748 /nfs/dbraw/zinc/82/07/48/469820748.db2.gz DUYRVHYRNDOYCO-KRWDZBQOSA-N 1 3 330.476 2.044 10 0 EEAEHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627131884 469820806 /nfs/dbraw/zinc/82/08/06/469820806.db2.gz XTYNPZATTOWBOD-QGZVFWFLSA-N 1 3 344.503 2.481 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000627158950 469829080 /nfs/dbraw/zinc/82/90/80/469829080.db2.gz IUISMRUBLICWOH-NZSAHSFTSA-N 1 3 344.503 2.290 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000627164828 469830945 /nfs/dbraw/zinc/83/09/45/469830945.db2.gz IBVIEXVCUKNKNI-FGTMMUONSA-N 1 3 330.476 2.043 10 0 EEAEHO NC(=O)COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@H]3N)cc2)cc1 ZINC000622044586 470153561 /nfs/dbraw/zinc/15/35/61/470153561.db2.gz LJPJIDIGRBSRST-MOPGFXCFSA-N 1 3 339.439 2.187 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC[N@@H+]1C ZINC000632482994 470237107 /nfs/dbraw/zinc/23/71/07/470237107.db2.gz OWOWCSBFJVKVFO-DSLXNQLJSA-N 1 3 329.488 2.353 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC[N@H+]1C ZINC000632482994 470237109 /nfs/dbraw/zinc/23/71/09/470237109.db2.gz OWOWCSBFJVKVFO-DSLXNQLJSA-N 1 3 329.488 2.353 10 0 EEAEHO C[C@@](O)(C[C@@H](O)CNCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000634639698 470272779 /nfs/dbraw/zinc/27/27/79/470272779.db2.gz NRSNOMQYPYOSCC-WOJBJXKFSA-N 1 3 332.488 2.284 10 0 EEAEHO [NH3+]C/C=C/CNC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000641870580 470505660 /nfs/dbraw/zinc/50/56/60/470505660.db2.gz WCRDNAZZCZNBEE-DPZZJQGRSA-N 1 3 342.487 2.199 10 0 EEAEHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)COC2CCC([NH3+])CC2)C1 ZINC000646105728 470528945 /nfs/dbraw/zinc/52/89/45/470528945.db2.gz FLYJXXWKHJIEEI-JLAWEPINSA-N 1 3 345.487 2.006 10 0 EEAEHO C[NH2+]Cc1ccccc1CNCc1ccc(N(C)CCOC)nc1 ZINC000650720460 470951030 /nfs/dbraw/zinc/95/10/30/470951030.db2.gz QEOBKPAXMVFZTQ-UHFFFAOYSA-N 1 3 328.460 2.173 10 0 EEAEHO C[C@@H]1CN(CCCC[NH2+]Cc2ccnn2-c2ccncc2)C[C@@H](C)O1 ZINC000657367667 471114699 /nfs/dbraw/zinc/11/46/99/471114699.db2.gz RJBJTEZFMVUNCI-IAGOWNOFSA-N 1 3 343.475 2.246 10 0 EEAEHO CC[C@H](CNC(=O)NCCC1(C[NH3+])CC1)N1CCc2ccccc2C1 ZINC000652127397 471240185 /nfs/dbraw/zinc/24/01/85/471240185.db2.gz QKCYAPGFHHAHEA-GOSISDBHSA-N 1 3 344.503 2.252 10 0 EEAEHO [NH3+]CC1(CCNC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000652244055 471261259 /nfs/dbraw/zinc/26/12/59/471261259.db2.gz SFIWTWGIHJPLLM-UHFFFAOYSA-N 1 3 330.476 2.033 10 0 EEAEHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C(C)(C)C(F)F ZINC000658033935 471261362 /nfs/dbraw/zinc/26/13/62/471261362.db2.gz ITUFTIWLUHVHSY-AWEZNQCLSA-N 1 3 333.467 2.052 10 0 EEAEHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCOCCOc2ccccc2)C1 ZINC000652361331 471279395 /nfs/dbraw/zinc/27/93/95/471279395.db2.gz DDNCDLDTEJMOOG-YZGWKJHDSA-N 1 3 348.487 2.443 10 0 EEAEHO COC[C@H](CN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1)OC ZINC000660497172 471367906 /nfs/dbraw/zinc/36/79/06/471367906.db2.gz MHBBXDLJDRHBCR-CVEARBPZSA-N 1 3 326.506 2.472 10 0 EEAEHO COC[C@H](CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1)OC ZINC000660497172 471367912 /nfs/dbraw/zinc/36/79/12/471367912.db2.gz MHBBXDLJDRHBCR-CVEARBPZSA-N 1 3 326.506 2.472 10 0 EEAEHO C[C@@H]1CC[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CS1 ZINC000655710141 471450607 /nfs/dbraw/zinc/45/06/07/471450607.db2.gz CRVZHOVPMHATDG-IAGOWNOFSA-N 1 3 334.533 2.467 10 0 EEAEHO C[NH+]1CCC(CCNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659029381 471473978 /nfs/dbraw/zinc/47/39/78/471473978.db2.gz HOZMKKRDSHVKPB-GOSISDBHSA-N 1 3 346.475 2.201 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000669420568 471489290 /nfs/dbraw/zinc/48/92/90/471489290.db2.gz QNHXRKQGXPTBTA-NZSAHSFTSA-N 1 3 344.503 2.196 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N1CC2CC1(C[NH3+])C2)c1ccccc1 ZINC000659428225 471621623 /nfs/dbraw/zinc/62/16/23/471621623.db2.gz YRHNTZBGJZHASR-URSIVYNOSA-N 1 3 330.476 2.202 10 0 EEAEHO OC1CCN(Cc2ccccc2C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667888934 471939376 /nfs/dbraw/zinc/93/93/76/471939376.db2.gz LJDQYROBKOTJQX-QUCCMNQESA-N 1 3 330.472 2.300 10 0 EEAEHO COc1ccc([C@@H](CCn2cncn2)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665282359 471989281 /nfs/dbraw/zinc/98/92/81/471989281.db2.gz WJXJSDJXLCXTQX-QZTJIDSGSA-N 1 3 331.464 2.381 10 0 EEAEHO c1cc2c(cc1[C@@H]1CCCN1C[C@H]1CCC3(C[NH2+]C3)O1)OCCO2 ZINC000662248823 472041196 /nfs/dbraw/zinc/04/11/96/472041196.db2.gz JZTZYWSSALFZBK-CVEARBPZSA-N 1 3 330.428 2.116 10 0 EEAEHO COc1ccccc1COC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662279522 472054077 /nfs/dbraw/zinc/05/40/77/472054077.db2.gz KWLALNOWJQYIFI-GOSISDBHSA-N 1 3 346.471 2.197 10 0 EEAEHO C[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665640119 472120087 /nfs/dbraw/zinc/12/00/87/472120087.db2.gz NVGAPSYYQWGLMU-JKSUJKDBSA-N 1 3 335.496 2.056 10 0 EEAEHO C[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665640119 472120090 /nfs/dbraw/zinc/12/00/90/472120090.db2.gz NVGAPSYYQWGLMU-JKSUJKDBSA-N 1 3 335.496 2.056 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000665762416 472177516 /nfs/dbraw/zinc/17/75/16/472177516.db2.gz CVVBOORIXFQSCB-DOTOQJQBSA-N 1 3 336.524 2.233 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000665762416 472177520 /nfs/dbraw/zinc/17/75/20/472177520.db2.gz CVVBOORIXFQSCB-DOTOQJQBSA-N 1 3 336.524 2.233 10 0 EEAEHO C[C@H](N)C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662758402 472238854 /nfs/dbraw/zinc/23/88/54/472238854.db2.gz OGMQGYRXMKBVER-YJBOKZPZSA-N 1 3 329.488 2.483 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(Cc1ccccn1)C1CC1 ZINC000665637613 485613742 /nfs/dbraw/zinc/61/37/42/485613742.db2.gz IWCWGBSZDHCELA-INIZCTEOSA-N 1 3 347.507 2.028 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(Cc1ccccn1)C1CC1 ZINC000665637613 485613747 /nfs/dbraw/zinc/61/37/47/485613747.db2.gz IWCWGBSZDHCELA-INIZCTEOSA-N 1 3 347.507 2.028 10 0 EEAEHO CN(C)CCN(Cc1ccco1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000679410658 485690094 /nfs/dbraw/zinc/69/00/94/485690094.db2.gz YLZLBTBRJCAVRE-UHFFFAOYSA-N 1 3 330.432 2.091 10 0 EEAEHO Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)CCCO2 ZINC000675822050 486076383 /nfs/dbraw/zinc/07/63/83/486076383.db2.gz RJFYPWGTFOXWFW-SJLPKXTDSA-N 1 3 345.487 2.386 10 0 EEAEHO COC[C@@H](CCC[NH3+])NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000422709412 536595868 /nfs/dbraw/zinc/59/58/68/536595868.db2.gz DERNKWXDJZQYTP-MRXNPFEDSA-N 1 3 331.416 2.375 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H]3CCC4(CCC4)O3)CC2)CC1 ZINC000896004947 684800766 /nfs/dbraw/zinc/80/07/66/684800766.db2.gz UOWVHPGGAMGMGE-GOSISDBHSA-N 1 3 349.519 2.153 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CCN1C ZINC000925331359 692838426 /nfs/dbraw/zinc/83/84/26/692838426.db2.gz WPROGHAAEZHFFJ-BRSBDYLESA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CCN1C ZINC000925331359 692838430 /nfs/dbraw/zinc/83/84/30/692838430.db2.gz WPROGHAAEZHFFJ-BRSBDYLESA-N 1 3 336.524 2.375 10 0 EEAEHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CO[C@H](C)[C@@H]3C)cc2)CC1 ZINC000924693422 693174138 /nfs/dbraw/zinc/17/41/38/693174138.db2.gz ZCPLRDJNNNEVSO-SQGPQFPESA-N 1 3 331.504 2.337 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccnc1C(F)F ZINC000898584355 693384366 /nfs/dbraw/zinc/38/43/66/693384366.db2.gz DDOYLHZIFXGOSJ-LBPRGKRZSA-N 1 3 328.407 2.021 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccnc1C(F)F ZINC000898584355 693384371 /nfs/dbraw/zinc/38/43/71/693384371.db2.gz DDOYLHZIFXGOSJ-LBPRGKRZSA-N 1 3 328.407 2.021 10 0 EEAEHO CC(C)OCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001485504236 1191817987 /nfs/dbraw/zinc/81/79/87/1191817987.db2.gz RPBRZUUSHZEKKH-AEFFLSMTSA-N 1 3 339.524 2.111 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)C1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001485541125 1191828924 /nfs/dbraw/zinc/82/89/24/1191828924.db2.gz XRUBWDWNPQAGEO-KXBFYZLASA-N 1 3 329.488 2.451 10 0 EEAEHO Cc1cc(C)cc(OCC[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001266735040 1177324661 /nfs/dbraw/zinc/32/46/61/1177324661.db2.gz GJOHIJPTCOITRK-HDICACEKSA-N 1 3 347.503 2.259 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001266826123 1177498187 /nfs/dbraw/zinc/49/81/87/1177498187.db2.gz NRINBLNFNOPHFU-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001266826125 1177498290 /nfs/dbraw/zinc/49/82/90/1177498290.db2.gz NRINBLNFNOPHFU-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cncc(CNCCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001691319498 1177904247 /nfs/dbraw/zinc/90/42/47/1177904247.db2.gz LINLFKMTKMBWET-UHFFFAOYSA-N 1 3 332.492 2.203 10 0 EEAEHO CN(C)C1(C(=O)N(C)CC[NH2+]Cc2ccc3cc[nH]c3c2)CCC1 ZINC001691345596 1177941839 /nfs/dbraw/zinc/94/18/39/1177941839.db2.gz FCSZCOBOLTUEJV-UHFFFAOYSA-N 1 3 328.460 2.200 10 0 EEAEHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001267057266 1178164361 /nfs/dbraw/zinc/16/43/61/1178164361.db2.gz DQDBHOSWNVBIHV-RBUKOAKNSA-N 1 3 331.504 2.253 10 0 EEAEHO Cc1cccnc1CNCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001267437832 1179010588 /nfs/dbraw/zinc/01/05/88/1179010588.db2.gz YTPFZYCEAHNCFS-SFHVURJKSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1cccnc1CNCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001267437832 1179010595 /nfs/dbraw/zinc/01/05/95/1179010595.db2.gz YTPFZYCEAHNCFS-SFHVURJKSA-N 1 3 332.492 2.201 10 0 EEAEHO CN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)CN(C)C1CCC1 ZINC001481240400 1180406286 /nfs/dbraw/zinc/40/62/86/1180406286.db2.gz HUMGWPZIKCYOKP-UHFFFAOYSA-N 1 3 329.444 2.465 10 0 EEAEHO CN(CCNCc1cccnc1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001481271061 1180566209 /nfs/dbraw/zinc/56/62/09/1180566209.db2.gz MZCXLWQNDGNYBG-LJQANCHMSA-N 1 3 344.503 2.427 10 0 EEAEHO CN(CCNCc1cccnc1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001481271061 1180566215 /nfs/dbraw/zinc/56/62/15/1180566215.db2.gz MZCXLWQNDGNYBG-LJQANCHMSA-N 1 3 344.503 2.427 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ccc2ncccc2c1)N(C)C ZINC001481276928 1180658990 /nfs/dbraw/zinc/65/89/90/1180658990.db2.gz IEIYSUDFBMZUMM-LJQANCHMSA-N 1 3 342.487 2.369 10 0 EEAEHO C[C@@H](CCNCc1c(F)cccc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268367039 1182348921 /nfs/dbraw/zinc/34/89/21/1182348921.db2.gz RPYIJWHBVGHAQI-BFHYXJOUSA-N 1 3 339.430 2.289 10 0 EEAEHO C[C@@H](CCNCc1c(F)cccc1F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268367039 1182348929 /nfs/dbraw/zinc/34/89/29/1182348929.db2.gz RPYIJWHBVGHAQI-BFHYXJOUSA-N 1 3 339.430 2.289 10 0 EEAEHO C[C@H](CC[NH2+]Cc1ccccc1N(C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001268399927 1182490021 /nfs/dbraw/zinc/49/00/21/1182490021.db2.gz NYWZLLLZQMJWTP-IAGOWNOFSA-N 1 3 346.519 2.079 10 0 EEAEHO CCN(CCNCc1cncc(F)c1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268459470 1182732656 /nfs/dbraw/zinc/73/26/56/1182732656.db2.gz WGBATRWWFQUBEA-QGZVFWFLSA-N 1 3 336.455 2.033 10 0 EEAEHO CCN(CCNCc1cncc(F)c1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001268459470 1182732660 /nfs/dbraw/zinc/73/26/60/1182732660.db2.gz WGBATRWWFQUBEA-QGZVFWFLSA-N 1 3 336.455 2.033 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H]1CCCCN1CC)[NH2+]Cc1cc(C)ns1 ZINC001481880817 1182863248 /nfs/dbraw/zinc/86/32/48/1182863248.db2.gz HMFZFACEJOWEFR-HOCLYGCPSA-N 1 3 338.521 2.310 10 0 EEAEHO COc1cccc(C[NH2+]C/C=C\CNC(=O)C2(N(C)C)CCC2)c1C ZINC001268550899 1183235204 /nfs/dbraw/zinc/23/52/04/1183235204.db2.gz WTCCFSZFFVTSQR-WAYWQWQTSA-N 1 3 345.487 2.250 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C/C[NH2+][C@@H]1CCc2c1cccc2F ZINC001268624717 1183547515 /nfs/dbraw/zinc/54/75/15/1183547515.db2.gz FUCUPQOUORACEP-ZMXQLYDGSA-N 1 3 331.435 2.171 10 0 EEAEHO CN(CCC[NH2+]C/C=C\Cl)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268847244 1183763460 /nfs/dbraw/zinc/76/34/60/1183763460.db2.gz GACKKKXYHQFSAL-KQQSKNTNSA-N 1 3 333.879 2.390 10 0 EEAEHO CCOCCCN1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269297287 1184148604 /nfs/dbraw/zinc/14/86/04/1184148604.db2.gz XBXMWKCJUIBLHM-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1cccc(Cl)n1 ZINC001269493561 1184315521 /nfs/dbraw/zinc/31/55/21/1184315521.db2.gz YAXJCCHZOOGBGJ-KBPBESRZSA-N 1 3 338.883 2.061 10 0 EEAEHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1cccc(Cl)n1 ZINC001269493561 1184315527 /nfs/dbraw/zinc/31/55/27/1184315527.db2.gz YAXJCCHZOOGBGJ-KBPBESRZSA-N 1 3 338.883 2.061 10 0 EEAEHO CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001270024597 1184793803 /nfs/dbraw/zinc/79/38/03/1184793803.db2.gz HHMWQMXIOKQQAF-BZSNNMDCSA-N 1 3 339.524 2.303 10 0 EEAEHO CC(C)C[C@H](CNCc1ccccn1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482392665 1185597971 /nfs/dbraw/zinc/59/79/71/1185597971.db2.gz XYQIZKSTDJPQHR-JENIJYKNSA-N 1 3 346.519 2.432 10 0 EEAEHO CC(C)C[C@H](CNCc1ccccn1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482392665 1185597975 /nfs/dbraw/zinc/59/79/75/1185597975.db2.gz XYQIZKSTDJPQHR-JENIJYKNSA-N 1 3 346.519 2.432 10 0 EEAEHO CCN(CC[NH2+]Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCCCN1C ZINC001482945032 1187875739 /nfs/dbraw/zinc/87/57/39/1187875739.db2.gz WHCCNZDWOOWNMH-KRWDZBQOSA-N 1 3 339.430 2.387 10 0 EEAEHO CN(CCNCc1ccc(F)c(F)c1)C(=O)CC[NH+]1CCCCC1 ZINC001691619709 1188320216 /nfs/dbraw/zinc/32/02/16/1188320216.db2.gz XIIUBCJMUWLQFY-UHFFFAOYSA-N 1 3 339.430 2.389 10 0 EEAEHO Cc1cccc(C[NH2+]C/C=C/CNC(=O)CN2CCC(C)CC2)c1 ZINC001483079008 1188439592 /nfs/dbraw/zinc/43/95/92/1188439592.db2.gz UUBFDLDQFFQZNN-ONEGZZNKSA-N 1 3 329.488 2.489 10 0 EEAEHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001409288608 1188600896 /nfs/dbraw/zinc/60/08/96/1188600896.db2.gz PWNHZZDYLLLSOY-VJFUWPCTSA-N 1 3 335.467 2.396 10 0 EEAEHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)Cc1ccc(Cl)cc1 ZINC001409649141 1190147921 /nfs/dbraw/zinc/14/79/21/1190147921.db2.gz RQNPOKRXOZSEHD-CQSZACIVSA-N 1 3 335.879 2.372 10 0 EEAEHO COc1ccc(C[N@H+](C)C[C@H](C)NC(=O)CN2CC[C@H](C)C2)cc1C ZINC001483384917 1190434021 /nfs/dbraw/zinc/43/40/21/1190434021.db2.gz SUTLLFIASBTGSP-RDJZCZTQSA-N 1 3 347.503 2.282 10 0 EEAEHO COc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CN2CC[C@H](C)C2)cc1C ZINC001483384917 1190434025 /nfs/dbraw/zinc/43/40/25/1190434025.db2.gz SUTLLFIASBTGSP-RDJZCZTQSA-N 1 3 347.503 2.282 10 0 EEAEHO Cc1csc(CNCCCN(C)C(=O)CC2CC[NH+](C)CC2)n1 ZINC001483495788 1190512161 /nfs/dbraw/zinc/51/21/61/1190512161.db2.gz KCPHVCKWZKJHOF-UHFFFAOYSA-N 1 3 338.521 2.122 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)cc1 ZINC001486131640 1193689997 /nfs/dbraw/zinc/68/99/97/1193689997.db2.gz XUYSFQKLWCGNOZ-ZWKOTPCHSA-N 1 3 345.487 2.049 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001272525059 1190867255 /nfs/dbraw/zinc/86/72/55/1190867255.db2.gz XBXWQKSJACHLHJ-FUHWJXTLSA-N 1 3 333.520 2.489 10 0 EEAEHO C[C@@H]1C[C@@H](NC/C(Cl)=C/Cl)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001483917117 1191115819 /nfs/dbraw/zinc/11/58/19/1191115819.db2.gz UCXYDRCVGYUMFU-HSWBZUAGSA-N 1 3 346.302 2.370 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001484382850 1191322997 /nfs/dbraw/zinc/32/29/97/1191322997.db2.gz MOQRZCPSRGZVOI-DOTOQJQBSA-N 1 3 335.467 2.352 10 0 EEAEHO CCC1([NH2+]Cc2ccns2)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001484809706 1191532269 /nfs/dbraw/zinc/53/22/69/1191532269.db2.gz LLWSJBNWQQPZFC-HNNXBMFYSA-N 1 3 336.505 2.098 10 0 EEAEHO CCC1([NH2+]CC[C@@H]2CCCCO2)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001484817150 1191538516 /nfs/dbraw/zinc/53/85/16/1191538516.db2.gz XYKCQQDIQLSQJY-KRWDZBQOSA-N 1 3 348.491 2.272 10 0 EEAEHO Cc1ncc(CN[C@@H](C)[C@@H](C)NC(=O)CCC[NH+]2CCCCC2)cn1 ZINC001485224425 1191696792 /nfs/dbraw/zinc/69/67/92/1191696792.db2.gz IOAVDXFJGTXRPN-JKSUJKDBSA-N 1 3 347.507 2.034 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001410125733 1197558227 /nfs/dbraw/zinc/55/82/27/1197558227.db2.gz RSRAQAXBLNDMKA-OSYLJGHBSA-N 1 3 330.476 2.135 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21 ZINC001410125733 1197558229 /nfs/dbraw/zinc/55/82/29/1197558229.db2.gz RSRAQAXBLNDMKA-OSYLJGHBSA-N 1 3 330.476 2.135 10 0 EEAEHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)NCc1cncs1 ZINC001410444389 1197924039 /nfs/dbraw/zinc/92/40/39/1197924039.db2.gz BQOMTHNUVFDOEQ-GDBMZVCRSA-N 1 3 338.521 2.343 10 0 EEAEHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)NCc1cncs1 ZINC001410444389 1197924044 /nfs/dbraw/zinc/92/40/44/1197924044.db2.gz BQOMTHNUVFDOEQ-GDBMZVCRSA-N 1 3 338.521 2.343 10 0 EEAEHO CC(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)CCO1 ZINC001273323452 1198165246 /nfs/dbraw/zinc/16/52/46/1198165246.db2.gz NNMPQQGHPSCSOD-ROUUACIJSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@H]1C[C@@H]([NH2+][C@H]2CCN(CC(C)(C)O)C2)CCN1Cc1ccccc1 ZINC000865660912 1198319931 /nfs/dbraw/zinc/31/99/31/1198319931.db2.gz ZTYCGZCFFHZKRF-IHPCNDPISA-N 1 3 345.531 2.474 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CC[C@H]2CCCO2)CC1)N(C)C ZINC001411242319 1198961999 /nfs/dbraw/zinc/96/19/99/1198961999.db2.gz YUAWUUUPXAEXQF-JQHSSLGASA-N 1 3 339.524 2.112 10 0 EEAEHO CN(C)CC[NH+]1CCC(CN[C@@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866259473 1201478272 /nfs/dbraw/zinc/47/82/72/1201478272.db2.gz MXCJBLQWFOBZSW-IEBWSBKVSA-N 1 3 335.467 2.321 10 0 EEAEHO CN1CCC([N@@H+]2CC[C@H](N[C@H]3c4ccccc4OC[C@@H]3F)C2)CC1 ZINC000866264661 1201479685 /nfs/dbraw/zinc/47/96/85/1201479685.db2.gz CMCGSZCEIJWVJL-FNHZYXHNSA-N 1 3 333.451 2.216 10 0 EEAEHO CN1CCC([N@H+]2CC[C@H](N[C@H]3c4ccccc4OC[C@@H]3F)C2)CC1 ZINC000866264661 1201479687 /nfs/dbraw/zinc/47/96/87/1201479687.db2.gz CMCGSZCEIJWVJL-FNHZYXHNSA-N 1 3 333.451 2.216 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868479239 1201819139 /nfs/dbraw/zinc/81/91/39/1201819139.db2.gz TYBBKFFGNXPGSR-QRQLOZEOSA-N 1 3 344.503 2.243 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868479239 1201819141 /nfs/dbraw/zinc/81/91/41/1201819141.db2.gz TYBBKFFGNXPGSR-QRQLOZEOSA-N 1 3 344.503 2.243 10 0 EEAEHO Cc1ncccc1CNC/C=C/CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001274610781 1205096862 /nfs/dbraw/zinc/09/68/62/1205096862.db2.gz QOZPQVGKKBKVNP-VZSQWMKGSA-N 1 3 344.503 2.272 10 0 EEAEHO Cc1ncccc1CNC/C=C/CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001274610777 1205097098 /nfs/dbraw/zinc/09/70/98/1205097098.db2.gz QOZPQVGKKBKVNP-PXPVJAHISA-N 1 3 344.503 2.272 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC[C@@H]1CCCC1(F)F)N(C)C ZINC001274913821 1205206885 /nfs/dbraw/zinc/20/68/85/1205206885.db2.gz XBKQXTSIFQLXMW-QLFBSQMISA-N 1 3 333.467 2.492 10 0 EEAEHO C[C@@H](NCc1ccc(Cl)nc1)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001275472799 1205376290 /nfs/dbraw/zinc/37/62/90/1205376290.db2.gz XYUPLDMAPXQELG-CHWSQXEVSA-N 1 3 326.872 2.060 10 0 EEAEHO Cc1nc(C)c(CNCCCN(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)o1 ZINC001276070643 1205760076 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2.250 10 0 EEAEHO O[C@@H](CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1(O)CCC1 ZINC000929772868 1206500438 /nfs/dbraw/zinc/50/04/38/1206500438.db2.gz PCNLECPTZJRYPI-VQTJNVASSA-N 1 3 344.499 2.250 10 0 EEAEHO CN1C[C@@H]2C[N@H+](CCCN3CCN(c4ccccc4)CC3)C[C@]2(C)C1 ZINC000933732175 1207828814 /nfs/dbraw/zinc/82/88/14/1207828814.db2.gz LOXXQGZCLOHRHP-CTNGQTDRSA-N 1 3 342.531 2.082 10 0 EEAEHO CN1C[C@@H]2C[N@@H+](CCCN3CCN(c4ccccc4)CC3)C[C@]2(C)C1 ZINC000933732175 1207828818 /nfs/dbraw/zinc/82/88/18/1207828818.db2.gz LOXXQGZCLOHRHP-CTNGQTDRSA-N 1 3 342.531 2.082 10 0 EEAEHO CS[C@@H]1CN(C(=O)c2ccc(NC3=NCCC3)cc2)C[C@@H]1[NH+](C)C ZINC000901231710 1235424870 /nfs/dbraw/zinc/42/48/70/1235424870.db2.gz WRDCIYPATBQOQE-JKSUJKDBSA-N 1 3 346.500 2.408 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2C[C@@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001491056163 1258626083 /nfs/dbraw/zinc/62/60/83/1258626083.db2.gz UQNBNQDVZXGAQR-QSRFGDDVSA-N 1 3 331.863 2.188 10 0 EEAEHO CCNC(=O)COc1cccc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925484942 1280974427 /nfs/dbraw/zinc/97/44/27/1280974427.db2.gz KTAKAGYTIQMOSG-JKSUJKDBSA-N 1 3 333.476 2.197 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000855345931 1293183625 /nfs/dbraw/zinc/18/36/25/1293183625.db2.gz KUKVNPSRKOLACW-JTQLQIEISA-N 1 3 335.279 2.323 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000855345931 1293183628 /nfs/dbraw/zinc/18/36/28/1293183628.db2.gz KUKVNPSRKOLACW-JTQLQIEISA-N 1 3 335.279 2.323 10 0 EEAEHO C[C@@H]1[C@H]([NH2+]CCOc2ccccc2)CCN1C(=O)CN(C)C1CCC1 ZINC001278262198 1308928646 /nfs/dbraw/zinc/92/86/46/1308928646.db2.gz BRIBTPHWHJHLBF-VQIMIIECSA-N 1 3 345.487 2.129 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N[C@@](C)(C[NH3+])CC(C)C)cc(Cl)n1 ZINC000841849022 1315622702 /nfs/dbraw/zinc/62/27/02/1315622702.db2.gz MJHGUCMQWSVXKY-XJKSGUPXSA-N 1 3 326.872 2.313 10 0 EEAEHO CC(C)=CC[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CCOCC1 ZINC001278722488 1317858822 /nfs/dbraw/zinc/85/88/22/1317858822.db2.gz FNZJRQMBSPBIRZ-UHFFFAOYSA-N 1 3 339.524 2.186 10 0 EEAEHO CCOCCCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001265287878 1323039856 /nfs/dbraw/zinc/03/98/56/1323039856.db2.gz JKISLISGROXGQU-FUHWJXTLSA-N 1 3 337.508 2.011 10 0 EEAEHO CCOCCCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001265287878 1323039860 /nfs/dbraw/zinc/03/98/60/1323039860.db2.gz JKISLISGROXGQU-FUHWJXTLSA-N 1 3 337.508 2.011 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCOC(C)C ZINC001265692073 1323324284 /nfs/dbraw/zinc/32/42/84/1323324284.db2.gz YAOOJCYGRQIXKU-ROUUACIJSA-N 1 3 339.524 2.257 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCN(C)Cc1ncccc1C ZINC001265857693 1323431355 /nfs/dbraw/zinc/43/13/55/1323431355.db2.gz ITRUQXZNNCVTAU-GOSISDBHSA-N 1 3 332.492 2.203 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCCN(C)Cc1ncccc1C ZINC001265857693 1323431361 /nfs/dbraw/zinc/43/13/61/1323431361.db2.gz ITRUQXZNNCVTAU-GOSISDBHSA-N 1 3 332.492 2.203 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCOC2CCCCCC2)C1)N(C)C ZINC001265940359 1323503643 /nfs/dbraw/zinc/50/36/43/1323503643.db2.gz UWKRUJIIJVGMQP-WMZOPIPTSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1cncc(C[NH2+]CCC[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001283187383 1325948923 /nfs/dbraw/zinc/94/89/23/1325948923.db2.gz VGAFXNOLCCIQHR-MRXNPFEDSA-N 1 3 332.492 2.249 10 0 EEAEHO C[C@@H]1C[C@@H]([NH2+]CCCOc2ccccc2)CN1C(=O)Cc1c[nH]cn1 ZINC001284015056 1326363390 /nfs/dbraw/zinc/36/33/90/1326363390.db2.gz RIZLXUNUWBTUGQ-NVXWUHKLSA-N 1 3 342.443 2.000 10 0 EEAEHO CN(C(=O)CCC[NH+](C)C)C1CC(NCc2cccc(Cl)n2)C1 ZINC001284788090 1326714341 /nfs/dbraw/zinc/71/43/41/1326714341.db2.gz UPIDGEROVIADKL-UHFFFAOYSA-N 1 3 338.883 2.156 10 0 EEAEHO CC[N@H+](C)[C@H](C(=O)NC[C@@H](C)NCc1cc(C)no1)c1ccccc1 ZINC001491636039 1330192219 /nfs/dbraw/zinc/19/22/19/1330192219.db2.gz ARYFNDICFHUYKS-QAPCUYQASA-N 1 3 344.459 2.270 10 0 EEAEHO CC[N@@H+](C)[C@H](C(=O)NC[C@@H](C)NCc1cc(C)no1)c1ccccc1 ZINC001491636039 1330192220 /nfs/dbraw/zinc/19/22/20/1330192220.db2.gz ARYFNDICFHUYKS-QAPCUYQASA-N 1 3 344.459 2.270 10 0 EEAEHO CC(C)N(C)CC(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC001317435341 1332238784 /nfs/dbraw/zinc/23/87/84/1332238784.db2.gz RILFVNKOUPFCEU-GOSISDBHSA-N 1 3 332.492 2.283 10 0 EEAEHO CC(C)N(C)CC(=O)NCCC[C@@H]1CCC[N@H+]1Cc1cccnc1 ZINC001317435341 1332238786 /nfs/dbraw/zinc/23/87/86/1332238786.db2.gz RILFVNKOUPFCEU-GOSISDBHSA-N 1 3 332.492 2.283 10 0 EEAEHO CC1CCN(CC(=O)N(C)CC[NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC001317644972 1332345374 /nfs/dbraw/zinc/34/53/74/1332345374.db2.gz ZPYNTIYMUFCNHJ-UHFFFAOYSA-N 1 3 339.430 2.245 10 0 EEAEHO Cc1ncsc1CNCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001317653391 1332351125 /nfs/dbraw/zinc/35/11/25/1332351125.db2.gz FXAIQZDXUDVTHM-CABCVRRESA-N 1 3 338.521 2.120 10 0 EEAEHO CCN(CC[NH2+]Cc1cccc2cccnc21)C(=O)CN1CCCC1 ZINC001320919597 1332978874 /nfs/dbraw/zinc/97/88/74/1332978874.db2.gz BCJVCQMZBUNGOF-UHFFFAOYSA-N 1 3 340.471 2.269 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(F)cn1 ZINC001322852478 1333341760 /nfs/dbraw/zinc/34/17/60/1333341760.db2.gz PFKFABVALNHSTQ-QGZVFWFLSA-N 1 3 336.455 2.033 10 0 EEAEHO CC(C)OCC[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CCC1 ZINC001326897834 1334179174 /nfs/dbraw/zinc/17/91/74/1334179174.db2.gz CPOAKOUDKOEIJA-QGZVFWFLSA-N 1 3 339.524 2.304 10 0 EEAEHO COCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C[C@H]1C ZINC001328281485 1334435861 /nfs/dbraw/zinc/43/58/61/1334435861.db2.gz DBYZJLVBBHOHAS-GDBMZVCRSA-N 1 3 336.480 2.046 10 0 EEAEHO COCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C[C@H]1C ZINC001328281485 1334435863 /nfs/dbraw/zinc/43/58/63/1334435863.db2.gz DBYZJLVBBHOHAS-GDBMZVCRSA-N 1 3 336.480 2.046 10 0 EEAEHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001329173951 1334600588 /nfs/dbraw/zinc/60/05/88/1334600588.db2.gz SZIAQYNKXSKGRO-QWHCGFSZSA-N 1 3 326.872 2.060 10 0 EEAEHO Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCCN2C)sc1C ZINC001330883007 1334920774 /nfs/dbraw/zinc/92/07/74/1334920774.db2.gz LOXUEDHGVGCYTJ-IUODEOHRSA-N 1 3 338.521 2.229 10 0 EEAEHO CO[C@H](CN1CCCC[C@H]1CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001480322999 1337992791 /nfs/dbraw/zinc/99/27/91/1337992791.db2.gz GRWHDLDEYVLEJW-RBUKOAKNSA-N 1 3 347.503 2.297 10 0 EEAEHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)NCc1ccc(Cl)nc1 ZINC001676407162 1357147134 /nfs/dbraw/zinc/14/71/34/1357147134.db2.gz OCANNRVOWXLYNA-ZDUSSCGKSA-N 1 3 326.872 2.013 10 0 EEAEHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)NCc1ccnc(Cl)c1 ZINC001676455981 1357152713 /nfs/dbraw/zinc/15/27/13/1357152713.db2.gz YFXYPLBRDFIQQH-ZDUSSCGKSA-N 1 3 326.872 2.013 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NCc1ccnc(Cl)c1 ZINC001676455981 1357152714 /nfs/dbraw/zinc/15/27/14/1357152714.db2.gz YFXYPLBRDFIQQH-ZDUSSCGKSA-N 1 3 326.872 2.013 10 0 EEAEHO Cc1ccncc1CN(C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001660329055 1354440919 /nfs/dbraw/zinc/44/09/19/1354440919.db2.gz DCMMZJNHMALSLS-RTBURBONSA-N 1 3 344.503 2.345 10 0 EEAEHO Cc1ccncc1CN(C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001660329055 1354440920 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C[C@@H]1CC[N@H+](CC(=O)N(C)CCNCc2ccc(Cl)c(F)c2)C1 ZINC001664187532 1355109846 /nfs/dbraw/zinc/10/98/46/1355109846.db2.gz YUYQJRAOVRTPQV-CYBMUJFWSA-N 1 3 341.858 2.369 10 0 EEAEHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNCc2ccc(Cl)c(F)c2)C1 ZINC001664187532 1355109848 /nfs/dbraw/zinc/10/98/48/1355109848.db2.gz YUYQJRAOVRTPQV-CYBMUJFWSA-N 1 3 341.858 2.369 10 0 EEAEHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCNCc1ccnc(Cl)c1 ZINC001664395804 1355153874 /nfs/dbraw/zinc/15/38/74/1355153874.db2.gz WOMJWVYDBCDQIY-HNNXBMFYSA-N 1 3 338.883 2.157 10 0 EEAEHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCNCc1ccnc(Cl)c1 ZINC001664395804 1355153878 /nfs/dbraw/zinc/15/38/78/1355153878.db2.gz WOMJWVYDBCDQIY-HNNXBMFYSA-N 1 3 338.883 2.157 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCOC(C)C)C1 ZINC001665636145 1355341833 /nfs/dbraw/zinc/34/18/33/1355341833.db2.gz DUVUBGPIXPRAMT-ZWKOTPCHSA-N 1 3 339.524 2.209 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCOC(C)C)C1 ZINC001665636145 1355341838 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336.480 2.089 10 0 EEAEHO Cc1ccc(C)c(OCC[NH2+]C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)c1 ZINC001569019527 1125045581 /nfs/dbraw/zinc/04/55/81/1125045581.db2.gz ZTPNEWBHNXJLHX-SJLPKXTDSA-N 1 3 347.503 2.118 10 0 EEAEHO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1=CCN(C)CC1 ZINC000358116376 299090378 /nfs/dbraw/zinc/09/03/78/299090378.db2.gz SSQYPXDEGZKTFC-WMZOPIPTSA-N 1 3 334.508 2.297 10 0 EEAEHO CCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000067138805 215116645 /nfs/dbraw/zinc/11/66/45/215116645.db2.gz JGUMWDDRHGKOBN-RTBURBONSA-N 1 3 329.488 2.499 10 0 EEAEHO CCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000067138805 215116646 /nfs/dbraw/zinc/11/66/46/215116646.db2.gz JGUMWDDRHGKOBN-RTBURBONSA-N 1 3 329.488 2.499 10 0 EEAEHO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc3c(c2F)CCNC3)CC1 ZINC000415974402 239028548 /nfs/dbraw/zinc/02/85/48/239028548.db2.gz OFWMITHYRRPURF-AWEZNQCLSA-N 1 3 334.439 2.419 10 0 EEAEHO C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1=CCN(C)CC1 ZINC000358116373 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325.472 2.190 10 0 EEAEHO CC(C)(C(=O)NCCC[NH2+]Cc1cccnc1)[C@H](N)c1ccccc1 ZINC000417819792 466945214 /nfs/dbraw/zinc/94/52/14/466945214.db2.gz XOHXKXBMIOZPIZ-GOSISDBHSA-N 1 3 340.471 2.404 10 0 EEAEHO CCN(C(=O)NC[C@H](C)C[NH3+])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418462764 467114687 /nfs/dbraw/zinc/11/46/87/467114687.db2.gz BUDKBLIUUIXYSY-RYRKJORJSA-N 1 3 332.492 2.448 10 0 EEAEHO CN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418517758 467123238 /nfs/dbraw/zinc/12/32/38/467123238.db2.gz LKZDWOCNGAWSBZ-UYAOXDASSA-N 1 3 344.503 2.292 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)[C@H]1c1ccccc1 ZINC000425727672 467127438 /nfs/dbraw/zinc/12/74/38/467127438.db2.gz RKNKIWWBJQOOJY-WJFTUGDTSA-N 1 3 342.487 2.167 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)[C@H]1c1ccccc1 ZINC000425727672 467127441 /nfs/dbraw/zinc/12/74/41/467127441.db2.gz RKNKIWWBJQOOJY-WJFTUGDTSA-N 1 3 342.487 2.167 10 0 EEAEHO N[C@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccccc1 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EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000627163254 469829970 /nfs/dbraw/zinc/82/99/70/469829970.db2.gz HICROLFMWGHJME-CEXWTWQISA-N 1 3 344.503 2.433 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C[NH2+]1 ZINC000627202078 469842471 /nfs/dbraw/zinc/84/24/71/469842471.db2.gz NEYWSNOUVQHMDQ-NXHRZFHOSA-N 1 3 330.476 2.043 10 0 EEAEHO CN1CCC[C@H](CNC(=O)NCCC[NH+](C)C)[C@@H]1c1cccs1 ZINC000608615453 469845732 /nfs/dbraw/zinc/84/57/32/469845732.db2.gz XYQJKRZSYTXSKG-GDBMZVCRSA-N 1 3 338.521 2.382 10 0 EEAEHO O=C1c2ccccc2C(=O)N1CCCCN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886124 470189566 /nfs/dbraw/zinc/18/95/66/470189566.db2.gz GOMKOILDQURPSQ-QAPCUYQASA-N 1 3 341.455 2.137 10 0 EEAEHO O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCC[C@@H]2CNCC[C@@H]21 ZINC000631886124 470189567 /nfs/dbraw/zinc/18/95/67/470189567.db2.gz GOMKOILDQURPSQ-QAPCUYQASA-N 1 3 341.455 2.137 10 0 EEAEHO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CCC[C@@H]2CNCC[C@@H]21 ZINC000631886124 470189568 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338.540 2.480 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000665760773 472174689 /nfs/dbraw/zinc/17/46/89/472174689.db2.gz OTMBQENVGLQANH-ZIFCJYIRSA-N 1 3 338.540 2.480 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2ccsc2C1 ZINC000665760257 472175340 /nfs/dbraw/zinc/17/53/40/472175340.db2.gz DKNXYYBJJQVXII-AWEZNQCLSA-N 1 3 338.521 2.088 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2ccsc2C1 ZINC000665760257 472175344 /nfs/dbraw/zinc/17/53/44/472175344.db2.gz DKNXYYBJJQVXII-AWEZNQCLSA-N 1 3 338.521 2.088 10 0 EEAEHO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc(C(C)(C)N)no1 ZINC000662785498 472250903 /nfs/dbraw/zinc/25/09/03/472250903.db2.gz JHOBBLWGQLSODJ-UHFFFAOYSA-N 1 3 330.432 2.072 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC1(F)F ZINC000673206945 486295360 /nfs/dbraw/zinc/29/53/60/486295360.db2.gz HZSBFBOKEIGSQM-CABCVRRESA-N 1 3 346.466 2.232 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC1(F)F ZINC000673206945 486295365 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Cc1oncc1CNC[C@@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001485814157 1191978216 /nfs/dbraw/zinc/97/82/16/1191978216.db2.gz RLWSFBUKWFLPIQ-MSOLQXFVSA-N 1 3 348.491 2.184 10 0 EEAEHO CC(C)OCCN[C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001691793126 1176144652 /nfs/dbraw/zinc/14/46/52/1176144652.db2.gz UEHFKGZYKYHSIQ-LJQANCHMSA-N 1 3 347.503 2.200 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001266639566 1177040114 /nfs/dbraw/zinc/04/01/14/1177040114.db2.gz DAIGBFUHDDQOPF-AVGNSLFASA-N 1 3 336.307 2.147 10 0 EEAEHO CN(CCNCc1cnn(C(C)(C)C)c1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001691351858 1177950739 /nfs/dbraw/zinc/95/07/39/1177950739.db2.gz JAPBGDWUCQBKJA-QGZVFWFLSA-N 1 3 349.523 2.061 10 0 EEAEHO CN(CCNCc1cnn(C(C)(C)C)c1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001691351858 1177950747 /nfs/dbraw/zinc/95/07/47/1177950747.db2.gz JAPBGDWUCQBKJA-QGZVFWFLSA-N 1 3 349.523 2.061 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001267058726 1178166816 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348.443 2.040 10 0 EEAEHO O=C1O[C@@H](CN[C@H]2CCCOc3cc(F)ccc32)CC12CC[NH2+]CC2 ZINC000925859996 1206162436 /nfs/dbraw/zinc/16/24/36/1206162436.db2.gz YJABAXXLKXCTJK-ZBFHGGJFSA-N 1 3 348.418 2.314 10 0 EEAEHO CCn1cncc1CNCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000718009612 1211700752 /nfs/dbraw/zinc/70/07/52/1211700752.db2.gz APOZXJJIHHGTMC-UHFFFAOYSA-N 1 3 342.487 2.410 10 0 EEAEHO CO[C@@H](CN1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)[C@H]1CCOC1 ZINC001413048399 1217953262 /nfs/dbraw/zinc/95/32/62/1217953262.db2.gz AGWWKIJEZBEMCN-WOZUAGRISA-N 1 3 344.499 2.492 10 0 EEAEHO CO[C@@H](CN1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)[C@H]1CCOC1 ZINC001413048399 1217953266 /nfs/dbraw/zinc/95/32/66/1217953266.db2.gz AGWWKIJEZBEMCN-WOZUAGRISA-N 1 3 344.499 2.492 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN(Cc2cccc(O)c2)CC2CC2)cnn1C ZINC000903889083 1242343229 /nfs/dbraw/zinc/34/32/29/1242343229.db2.gz OIERBVHRKHNPDL-GOSISDBHSA-N 1 3 342.487 2.464 10 0 EEAEHO FC1(F)CCNC[C@H]1C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000903957039 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338.883 2.204 10 0 EEAEHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001491478586 1259128958 /nfs/dbraw/zinc/12/89/58/1259128958.db2.gz QWGGATHDSXYQOS-KBPBESRZSA-N 1 3 331.451 2.391 10 0 EEAEHO CCCCCC[C@](O)(C[N@@H+]1CCC[C@@]2(CCN(C)C2)C1)C(=O)OC ZINC000852107673 1291994907 /nfs/dbraw/zinc/99/49/07/1291994907.db2.gz OAPSIIUYCLWAFN-OALUTQOASA-N 1 3 340.508 2.279 10 0 EEAEHO CCCCCC[C@](O)(C[N@H+]1CCC[C@@]2(CCN(C)C2)C1)C(=O)OC ZINC000852107673 1291994908 /nfs/dbraw/zinc/99/49/08/1291994908.db2.gz OAPSIIUYCLWAFN-OALUTQOASA-N 1 3 340.508 2.279 10 0 EEAEHO CN1CC[C@@H]([NH2+]C2CN(C(=O)OCc3ccccc3)C2)CC1(C)C ZINC000858178916 1294034159 /nfs/dbraw/zinc/03/41/59/1294034159.db2.gz UUBZHNAAWNUCNO-MRXNPFEDSA-N 1 3 331.460 2.470 10 0 EEAEHO CN1CCN(Cc2ccccc2)[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000694751947 1304134976 /nfs/dbraw/zinc/13/49/76/1304134976.db2.gz KWYXDRMAYVJMOP-OTYNDTSQSA-N 1 3 342.531 2.017 10 0 EEAEHO CN1CCN(Cc2ccccc2)[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000694751947 1304134980 /nfs/dbraw/zinc/13/49/80/1304134980.db2.gz KWYXDRMAYVJMOP-OTYNDTSQSA-N 1 3 342.531 2.017 10 0 EEAEHO CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001277693592 1304197455 /nfs/dbraw/zinc/19/74/55/1304197455.db2.gz LYNZTLQAHMDGRT-MAUKXSAKSA-N 1 3 327.488 2.436 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc(Cl)n1 ZINC000843505015 1315924934 /nfs/dbraw/zinc/92/49/34/1315924934.db2.gz UBEYISVVKJZUIU-KGLIPLIRSA-N 1 3 336.867 2.224 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(CCCOC(C)C)C2)C1 ZINC001265299859 1323052029 /nfs/dbraw/zinc/05/20/29/1323052029.db2.gz VHZKOBBIYTVUSM-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(CCCOC(C)C)C2)C1 ZINC001265299859 1323052033 /nfs/dbraw/zinc/05/20/33/1323052033.db2.gz VHZKOBBIYTVUSM-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001266113844 1323681318 /nfs/dbraw/zinc/68/13/18/1323681318.db2.gz SWHCFHOUQORDDI-MSOLQXFVSA-N 1 3 339.524 2.209 10 0 EEAEHO COCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001266113844 1323681326 /nfs/dbraw/zinc/68/13/26/1323681326.db2.gz SWHCFHOUQORDDI-MSOLQXFVSA-N 1 3 339.524 2.209 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001279184171 1323847863 /nfs/dbraw/zinc/84/78/63/1323847863.db2.gz UYYGNMYAIPLFFX-MJGOQNOKSA-N 1 3 331.504 2.255 10 0 EEAEHO CN(C)C1(C(=O)N[C@H](C[NH2+]CCc2cccs2)C2CC2)CCC1 ZINC001276602849 1324732673 /nfs/dbraw/zinc/73/26/73/1324732673.db2.gz GVTZMMATGDZTJS-MRXNPFEDSA-N 1 3 335.517 2.259 10 0 EEAEHO Cc1nccnc1CN[C@H](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001492092392 1330999467 /nfs/dbraw/zinc/99/94/67/1330999467.db2.gz PFUJRGRTWROKAI-NVXWUHKLSA-N 1 3 347.507 2.034 10 0 EEAEHO CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001316769110 1331827720 /nfs/dbraw/zinc/82/77/20/1331827720.db2.gz FNFKCFGINNITQK-ROUUACIJSA-N 1 3 339.524 2.258 10 0 EEAEHO CC(C)c1cccc(CN(C)CCCNC(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC001316851010 1331934819 /nfs/dbraw/zinc/93/48/19/1331934819.db2.gz OFPWMROJDCYXCI-KRWDZBQOSA-N 1 3 346.519 2.485 10 0 EEAEHO CC(C)c1cccc(CN(C)CCCNC(=O)C[N@H+]2CC[C@H](C)C2)n1 ZINC001316851010 1331934822 /nfs/dbraw/zinc/93/48/22/1331934822.db2.gz OFPWMROJDCYXCI-KRWDZBQOSA-N 1 3 346.519 2.485 10 0 EEAEHO CN(CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)Cc1cccnc1 ZINC001316854667 1331937077 /nfs/dbraw/zinc/93/70/77/1331937077.db2.gz STXANXZXWAORKM-MSOLQXFVSA-N 1 3 330.476 2.037 10 0 EEAEHO CN(CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)Cc1cccnc1 ZINC001316854667 1331937080 /nfs/dbraw/zinc/93/70/80/1331937080.db2.gz STXANXZXWAORKM-MSOLQXFVSA-N 1 3 330.476 2.037 10 0 EEAEHO CN(C)Cc1cccc(C(=O)NCCC[N@H+](C)C[C@H]2CCCCO2)c1 ZINC001316870778 1331941699 /nfs/dbraw/zinc/94/16/99/1331941699.db2.gz RUEFKVWQJGKIDU-LJQANCHMSA-N 1 3 347.503 2.369 10 0 EEAEHO CN(C)Cc1cccc(C(=O)NCCC[N@@H+](C)C[C@H]2CCCCO2)c1 ZINC001316870778 1331941701 /nfs/dbraw/zinc/94/17/01/1331941701.db2.gz RUEFKVWQJGKIDU-LJQANCHMSA-N 1 3 347.503 2.369 10 0 EEAEHO CN(C)c1ccccc1CN1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001316992162 1332033457 /nfs/dbraw/zinc/03/34/57/1332033457.db2.gz XGRSRZDNGQJWOB-GOSISDBHSA-N 1 3 346.519 2.175 10 0 EEAEHO CCCOc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001317573688 1332303853 /nfs/dbraw/zinc/30/38/53/1332303853.db2.gz REDHLZDEPAPACN-SFHVURJKSA-N 1 3 333.476 2.118 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1C1CC1 ZINC001320996428 1332993620 /nfs/dbraw/zinc/99/36/20/1332993620.db2.gz DVATWIDYGIQRDD-PHWHVTFISA-N 1 3 327.472 2.420 10 0 EEAEHO CC[C@H](C(=O)NC/C=C/C[NH2+]C[C@H]1CCc2ccccc2C1)N(C)C ZINC001321108243 1333020619 /nfs/dbraw/zinc/02/06/19/1333020619.db2.gz DWUCMRYUABSIQY-LXJMMZIJSA-N 1 3 343.515 2.394 10 0 EEAEHO Cc1ccc(C[NH2+]C/C=C/CNC(=O)CN(C)CC(C)(C)C)c(C)n1 ZINC001321248640 1333054469 /nfs/dbraw/zinc/05/44/69/1333054469.db2.gz CQSFVKRMVLNRDO-BQYQJAHWSA-N 1 3 346.519 2.438 10 0 EEAEHO CCn1ccc(CNCCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001322724381 1333314409 /nfs/dbraw/zinc/31/44/09/1333314409.db2.gz PUMOSCFRPZCJPF-SFHVURJKSA-N 1 3 349.523 2.104 10 0 EEAEHO CCn1ccc(CNCCCN(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)n1 ZINC001322724381 1333314416 /nfs/dbraw/zinc/31/44/16/1333314416.db2.gz PUMOSCFRPZCJPF-SFHVURJKSA-N 1 3 349.523 2.104 10 0 EEAEHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCc1ccnc(Cl)c1 ZINC001327903586 1334361920 /nfs/dbraw/zinc/36/19/20/1334361920.db2.gz OTDCVIHMLYSHHN-DZGCQCFKSA-N 1 3 338.883 2.013 10 0 EEAEHO COCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C[C@@H]1C ZINC001328281487 1334435775 /nfs/dbraw/zinc/43/57/75/1334435775.db2.gz DBYZJLVBBHOHAS-GOEBONIOSA-N 1 3 336.480 2.046 10 0 EEAEHO COCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C[C@@H]1C ZINC001328281487 1334435776 /nfs/dbraw/zinc/43/57/76/1334435776.db2.gz DBYZJLVBBHOHAS-GOEBONIOSA-N 1 3 336.480 2.046 10 0 EEAEHO Cc1nc(C)c(CNCCC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001330953076 1334934105 /nfs/dbraw/zinc/93/41/05/1334934105.db2.gz BTAJDKDBDUKKSS-CZUORRHYSA-N 1 3 336.480 2.008 10 0 EEAEHO Cc1nc(C)c(CNCCC[C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001330953076 1334934106 /nfs/dbraw/zinc/93/41/06/1334934106.db2.gz BTAJDKDBDUKKSS-CZUORRHYSA-N 1 3 336.480 2.008 10 0 EEAEHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001331471077 1335019619 /nfs/dbraw/zinc/01/96/19/1335019619.db2.gz WKJQYUACEUANJP-ZDUSSCGKSA-N 1 3 338.883 2.156 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001436359647 1342050441 /nfs/dbraw/zinc/05/04/41/1342050441.db2.gz RGFPPRBPHJNMGS-NCOADZHNSA-N 1 3 327.488 2.482 10 0 EEAEHO C[C@@H]1CCCC[C@H]1OCC[NH2+]CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001567507532 1342775286 /nfs/dbraw/zinc/77/52/86/1342775286.db2.gz FCDYTVYGZZGRKT-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cc(Cl)cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1N ZINC001584247163 1348726286 /nfs/dbraw/zinc/72/62/86/1348726286.db2.gz HQSRGKWYKLNOKF-ZDUSSCGKSA-N 1 3 340.899 2.232 10 0 EEAEHO Cc1cc(Cl)cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1N ZINC001584247163 1348726289 /nfs/dbraw/zinc/72/62/89/1348726289.db2.gz HQSRGKWYKLNOKF-ZDUSSCGKSA-N 1 3 340.899 2.232 10 0 EEAEHO CC(C)(CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])N1CCc2ccccc2C1 ZINC001645892684 1352807431 /nfs/dbraw/zinc/80/74/31/1352807431.db2.gz JIYGVPWVGSJUMU-ROUUACIJSA-N 1 3 329.488 2.457 10 0 EEAEHO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC001649857140 1353628413 /nfs/dbraw/zinc/62/84/13/1353628413.db2.gz XHIDPOFHYGQELH-ZWKOTPCHSA-N 1 3 331.460 2.099 10 0 EEAEHO CN(CCNCc1cccnc1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001663931100 1355056484 /nfs/dbraw/zinc/05/64/84/1355056484.db2.gz BXDNWFGCBJKCJF-SFHVURJKSA-N 1 3 344.503 2.284 10 0 EEAEHO CN(CCNCc1cccnc1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001663931100 1355056488 /nfs/dbraw/zinc/05/64/88/1355056488.db2.gz BXDNWFGCBJKCJF-SFHVURJKSA-N 1 3 344.503 2.284 10 0 EEAEHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@@H]1CC[N@H+](CCCOC)C1 ZINC001665743063 1355381522 /nfs/dbraw/zinc/38/15/22/1355381522.db2.gz TWINZPWFTTWRBG-LJQANCHMSA-N 1 3 347.503 2.321 10 0 EEAEHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@@H]1CC[N@@H+](CCCOC)C1 ZINC001665743063 1355381529 /nfs/dbraw/zinc/38/15/29/1355381529.db2.gz TWINZPWFTTWRBG-LJQANCHMSA-N 1 3 347.503 2.321 10 0 EEAEHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001666568140 1355546202 /nfs/dbraw/zinc/54/62/02/1355546202.db2.gz IWLSZKPHGXBCNO-BBRMVZONSA-N 1 3 340.899 2.163 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)c(F)c1)N(C)C ZINC001668108018 1355872750 /nfs/dbraw/zinc/87/27/50/1355872750.db2.gz YCDBUZFEOZOPDB-MLGOLLRUSA-N 1 3 327.419 2.289 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001671805033 1356418025 /nfs/dbraw/zinc/41/80/25/1356418025.db2.gz KUWLFDXNVDXRHO-IEBWSBKVSA-N 1 3 339.524 2.116 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@@H]1CCCN(Cc2cccnc2)CC1 ZINC001673401648 1356685883 /nfs/dbraw/zinc/68/58/83/1356685883.db2.gz FYMKVMGPTCPSIY-GOSISDBHSA-N 1 3 332.492 2.284 10 0 EEAEHO C[C@H](C[NH2+]CCOC1CCCCCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001698838290 1405101162 /nfs/dbraw/zinc/10/11/62/1405101162.db2.gz VUEPRHZPZIUDJX-SJLPKXTDSA-N 1 3 339.524 2.257 10 0 EEAEHO C[C@H](CCNC(=O)N[C@@H]1CCN(C)[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000921161867 770987336 /nfs/dbraw/zinc/98/73/36/770987336.db2.gz GFEFHIVDCTVSQO-JFIYKMOQSA-N 1 3 332.492 2.289 10 0 EEAEHO C[C@H](CCNC(=O)N[C@@H]1CCN(C)[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000921161867 770987345 /nfs/dbraw/zinc/98/73/45/770987345.db2.gz GFEFHIVDCTVSQO-JFIYKMOQSA-N 1 3 332.492 2.289 10 0 EEAEHO C[C@H](CCNC(=O)N[C@H]1CCN(C)[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000921161868 770988034 /nfs/dbraw/zinc/98/80/34/770988034.db2.gz GFEFHIVDCTVSQO-NUJGCVRESA-N 1 3 332.492 2.289 10 0 EEAEHO C[C@H](CCNC(=O)N[C@H]1CCN(C)[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000921161868 770988039 /nfs/dbraw/zinc/98/80/39/770988039.db2.gz GFEFHIVDCTVSQO-NUJGCVRESA-N 1 3 332.492 2.289 10 0 EEAEHO COC[C@H](NCCN1CCC([NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000925811845 777587149 /nfs/dbraw/zinc/58/71/49/777587149.db2.gz SRBMCBWANWBMKG-INIZCTEOSA-N 1 3 345.409 2.406 10 0 EEAEHO CCC(CC)Nc1ccncc1NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000908327081 785349826 /nfs/dbraw/zinc/34/98/26/785349826.db2.gz ABCRFLPKQSPPKL-UHFFFAOYSA-N 1 3 346.475 2.153 10 0 EEAEHO CON(Cc1ccccc1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000820080613 785781841 /nfs/dbraw/zinc/78/18/41/785781841.db2.gz GHPSZILRVAQSEG-INIZCTEOSA-N 1 3 336.480 2.032 10 0 EEAEHO CON(Cc1ccccc1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000820080613 785781846 /nfs/dbraw/zinc/78/18/46/785781846.db2.gz GHPSZILRVAQSEG-INIZCTEOSA-N 1 3 336.480 2.032 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N(C)CC2CC[NH+](C)CC2)cc(Cl)n1 ZINC000844204906 788923976 /nfs/dbraw/zinc/92/39/76/788923976.db2.gz RKXHNVBQHVSABW-HNNXBMFYSA-N 1 3 338.883 2.234 10 0 EEAEHO COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923498813 789681724 /nfs/dbraw/zinc/68/17/24/789681724.db2.gz LSMRPKYRWXRERX-VGWMRTNUSA-N 1 3 333.476 2.178 10 0 EEAEHO C[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H](NC(=O)CN(C)CC(C)(C)C)C2)CCO1 ZINC001436916607 1088576587 /nfs/dbraw/zinc/57/65/87/1088576587.db2.gz SVYXCXIJMMYRNE-QAETUUGQSA-N 1 3 339.524 2.016 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001436933834 1088605835 /nfs/dbraw/zinc/60/58/35/1088605835.db2.gz FJSINDLWVDECJL-RBSFLKMASA-N 1 3 331.451 2.389 10 0 EEAEHO CCc1ccccc1CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001436967670 1088661058 /nfs/dbraw/zinc/66/10/58/1088661058.db2.gz YYKXGENJEFXBOZ-OTWHNJEPSA-N 1 3 331.504 2.369 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001437053974 1088947883 /nfs/dbraw/zinc/94/78/83/1088947883.db2.gz YPXHRSBDRJBYTD-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1nsc(C)c1CN[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001437217357 1089297901 /nfs/dbraw/zinc/29/79/01/1089297901.db2.gz UPBLUTCDKPWBFA-GFCCVEGCSA-N 1 3 338.521 2.086 10 0 EEAEHO CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(OC)cc2)C1)N(C)C ZINC001437946605 1090542843 /nfs/dbraw/zinc/54/28/43/1090542843.db2.gz KDIBSFGNKCSVKA-IEBWSBKVSA-N 1 3 347.503 2.364 10 0 EEAEHO CC[C@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2)C1)N(C)C ZINC001437946605 1090542844 /nfs/dbraw/zinc/54/28/44/1090542844.db2.gz KDIBSFGNKCSVKA-IEBWSBKVSA-N 1 3 347.503 2.364 10 0 EEAEHO CCc1nc(C)c(CNCC2(NC(=O)CC[NH+](C)C)CCCC2)o1 ZINC001438404783 1090891406 /nfs/dbraw/zinc/89/14/06/1090891406.db2.gz QJAMLXYWBMJPCL-UHFFFAOYSA-N 1 3 336.480 2.016 10 0 EEAEHO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CN(CCCC(C)(C)C)CCO1 ZINC001438576600 1091062741 /nfs/dbraw/zinc/06/27/41/1091062741.db2.gz XWZKZNMDSBWAEC-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CN(CCCC(C)(C)C)CCO1 ZINC001438576600 1091062749 /nfs/dbraw/zinc/06/27/49/1091062749.db2.gz XWZKZNMDSBWAEC-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO COc1cc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CC[C@@H](C)C2)ccc1C ZINC001438686173 1091187010 /nfs/dbraw/zinc/18/70/10/1091187010.db2.gz RFAKPBRHCVGNGI-WBVHZDCISA-N 1 3 347.503 2.282 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(OC)c1C ZINC001445498763 1091276051 /nfs/dbraw/zinc/27/60/51/1091276051.db2.gz IGFGYEHKSQXYHP-CRAIPNDOSA-N 1 3 347.503 2.472 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1sc(C)nc1C ZINC001445499035 1091276560 /nfs/dbraw/zinc/27/65/60/1091276560.db2.gz JTMSHAAJYHPYCM-DOMZBBRYSA-N 1 3 338.521 2.229 10 0 EEAEHO Cc1nc(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)c(C)s1 ZINC001438775658 1091365681 /nfs/dbraw/zinc/36/56/81/1091365681.db2.gz QAXZLNZBMZFIPK-SWLSCSKDSA-N 1 3 338.521 2.038 10 0 EEAEHO C[NH+]1CCC(CC(=O)NC[C@H]2CCN2C[C@H]2CCC(F)(F)C2)CC1 ZINC001439562466 1092441922 /nfs/dbraw/zinc/44/19/22/1092441922.db2.gz RKIUEGMBSWRCLH-JKSUJKDBSA-N 1 3 343.462 2.344 10 0 EEAEHO O=C(NCC1(NCCC(F)(F)F)CC1)C12CCC[NH+](CCC1)C2 ZINC001439623204 1092534284 /nfs/dbraw/zinc/53/42/84/1092534284.db2.gz DNOLSLLNNNPOPJ-UHFFFAOYSA-N 1 3 333.398 2.053 10 0 EEAEHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2F)C1)N(C)C ZINC001440282985 1093404455 /nfs/dbraw/zinc/40/44/55/1093404455.db2.gz CEMSIGBUKGMKFU-UWWQBHOKSA-N 1 3 335.467 2.459 10 0 EEAEHO CC[N@@H+](Cc1cccnc1)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001440706358 1093955341 /nfs/dbraw/zinc/95/53/41/1093955341.db2.gz LXPBPEYCPDZMMA-UHFFFAOYSA-N 1 3 346.519 2.482 10 0 EEAEHO CC[N@H+](Cc1cccnc1)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001440706358 1093955344 /nfs/dbraw/zinc/95/53/44/1093955344.db2.gz LXPBPEYCPDZMMA-UHFFFAOYSA-N 1 3 346.519 2.482 10 0 EEAEHO COc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN(C)C(C)C)cc1 ZINC001440748810 1093994495 /nfs/dbraw/zinc/99/44/95/1093994495.db2.gz MVMOTZPSXFEEOL-GOSISDBHSA-N 1 3 347.503 2.458 10 0 EEAEHO COc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN(C)C(C)C)cc1 ZINC001440748810 1093994500 /nfs/dbraw/zinc/99/45/00/1093994500.db2.gz MVMOTZPSXFEEOL-GOSISDBHSA-N 1 3 347.503 2.458 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccnc3)[C@@H]2C1 ZINC001449031607 1094041677 /nfs/dbraw/zinc/04/16/77/1094041677.db2.gz FBHVRFQSKQHDKE-OTWHNJEPSA-N 1 3 344.503 2.139 10 0 EEAEHO CC(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C(F)(F)F ZINC001449077136 1094091603 /nfs/dbraw/zinc/09/16/03/1094091603.db2.gz JFMSBLLNTDGCAF-ZFWWWQNUSA-N 1 3 349.441 2.353 10 0 EEAEHO Cc1nc(C)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)s1 ZINC001440864670 1094126404 /nfs/dbraw/zinc/12/64/04/1094126404.db2.gz XRXKMUKISIIUNL-NWDGAFQWSA-N 1 3 326.510 2.083 10 0 EEAEHO CCCC[C@H](CNCc1cncc(F)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001441134798 1094465366 /nfs/dbraw/zinc/46/53/66/1094465366.db2.gz LGMGFMVBUGMAQA-QGZVFWFLSA-N 1 3 348.466 2.081 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001441212715 1094576788 /nfs/dbraw/zinc/57/67/88/1094576788.db2.gz QEXISJXIKXLPSX-OAHLLOKOSA-N 1 3 342.487 2.445 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)NCc2cccnc2)C1 ZINC001441566962 1095327489 /nfs/dbraw/zinc/32/74/89/1095327489.db2.gz LMLVYZPTMQOAAD-FUHWJXTLSA-N 1 3 332.492 2.140 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)NCc2cccnc2)C1 ZINC001441566962 1095327502 /nfs/dbraw/zinc/32/75/02/1095327502.db2.gz LMLVYZPTMQOAAD-FUHWJXTLSA-N 1 3 332.492 2.140 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnc(C)s2)C1 ZINC001441893601 1096038016 /nfs/dbraw/zinc/03/80/16/1096038016.db2.gz DLVOGWXVBLDCNB-GJZGRUSLSA-N 1 3 338.521 2.168 10 0 EEAEHO C[C@H](CNC(=O)CC[NH+](C)C)NCc1cnc(-c2ccccc2)s1 ZINC001441930318 1096119151 /nfs/dbraw/zinc/11/91/51/1096119151.db2.gz DFMPXPINDWQBPQ-CQSZACIVSA-N 1 3 346.500 2.356 10 0 EEAEHO CC(C)N(CC[N@H+](C)CCc1ccccc1)C(=O)CN1CCCC1 ZINC001442130998 1096372115 /nfs/dbraw/zinc/37/21/15/1096372115.db2.gz NTXMQQFQRRXYNW-UHFFFAOYSA-N 1 3 331.504 2.494 10 0 EEAEHO CC(C)N(CC[N@@H+](C)CCc1ccccc1)C(=O)CN1CCCC1 ZINC001442130998 1096372124 /nfs/dbraw/zinc/37/21/24/1096372124.db2.gz NTXMQQFQRRXYNW-UHFFFAOYSA-N 1 3 331.504 2.494 10 0 EEAEHO CN(CC(=O)NCC1C[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1)CC(C)(C)C ZINC001443609585 1098105085 /nfs/dbraw/zinc/10/50/85/1098105085.db2.gz ANBUPSPJFWDEEW-BPQIPLTHSA-N 1 3 335.536 2.449 10 0 EEAEHO CC[C@H](C(=O)NC1(C[NH2+]Cc2cncc(F)c2)CCCC1)N(C)C ZINC001444066614 1098588509 /nfs/dbraw/zinc/58/85/09/1098588509.db2.gz AEDRHAIVWKFPSZ-MRXNPFEDSA-N 1 3 336.455 2.080 10 0 EEAEHO CO[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001479744128 1098872023 /nfs/dbraw/zinc/87/20/23/1098872023.db2.gz AFAMFVRXVHXNGP-HZPDHXFCSA-N 1 3 339.524 2.112 10 0 EEAEHO CO[C@H](C)C[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001479744128 1098872032 /nfs/dbraw/zinc/87/20/32/1098872032.db2.gz AFAMFVRXVHXNGP-HZPDHXFCSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1([NH2+]C[C@H]2CCO[C@@H](C)C2)CCCC1 ZINC001444540024 1099319622 /nfs/dbraw/zinc/31/96/22/1099319622.db2.gz YAEFXGUWBSLBAU-IRXDYDNUSA-N 1 3 339.524 2.160 10 0 EEAEHO Cc1cc(CNC[C@@H](C)N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)sn1 ZINC001444635537 1099462704 /nfs/dbraw/zinc/46/27/04/1099462704.db2.gz ZIFCXZQIOIWSDO-CABCVRRESA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1cc(CNC[C@@H](C)N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)sn1 ZINC001444635537 1099462710 /nfs/dbraw/zinc/46/27/10/1099462710.db2.gz ZIFCXZQIOIWSDO-CABCVRRESA-N 1 3 338.521 2.262 10 0 EEAEHO C[C@@H](CNCc1cccc(Cl)c1F)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001444716240 1099579272 /nfs/dbraw/zinc/57/92/72/1099579272.db2.gz CKPLLDANCDNAJC-JSGCOSHPSA-N 1 3 341.858 2.367 10 0 EEAEHO C[C@@H](CNCc1cccc(Cl)c1F)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444716240 1099579278 /nfs/dbraw/zinc/57/92/78/1099579278.db2.gz CKPLLDANCDNAJC-JSGCOSHPSA-N 1 3 341.858 2.367 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCc2ncccc2C)C(C)C)CC[N@@H+]1C ZINC001444870818 1099876305 /nfs/dbraw/zinc/87/63/05/1099876305.db2.gz JBVWYTLIVFGAPF-JENIJYKNSA-N 1 3 346.519 2.351 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCc2ncccc2C)C(C)C)CC[N@H+]1C ZINC001444870818 1099876324 /nfs/dbraw/zinc/87/63/24/1099876324.db2.gz JBVWYTLIVFGAPF-JENIJYKNSA-N 1 3 346.519 2.351 10 0 EEAEHO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)CN(C)C(C)C)C2)cc1 ZINC001480270731 1099974653 /nfs/dbraw/zinc/97/46/53/1099974653.db2.gz AKQNBWOGNCPMCP-SFHVURJKSA-N 1 3 347.503 2.364 10 0 EEAEHO COc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)CN(C)C(C)C)C2)cc1 ZINC001480270731 1099974659 /nfs/dbraw/zinc/97/46/59/1099974659.db2.gz AKQNBWOGNCPMCP-SFHVURJKSA-N 1 3 347.503 2.364 10 0 EEAEHO COCCCC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001496358208 1100951943 /nfs/dbraw/zinc/95/19/43/1100951943.db2.gz OOVAILCJSISZKD-DLBZAZTESA-N 1 3 341.540 2.218 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@H]1CCCCO1 ZINC001496418952 1101013308 /nfs/dbraw/zinc/01/33/08/1101013308.db2.gz MCNGMULVFZVLOS-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@H]1CCCC[C@@]1(C[NH2+]CCCO)NC(=O)CN(C)CC(C)(C)C ZINC001495320780 1101025763 /nfs/dbraw/zinc/02/57/63/1101025763.db2.gz LKZRINMXKVDEET-LPHOPBHVSA-N 1 3 341.540 2.001 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC[NH2+]C[C@H](C)OC)CC1 ZINC001495438422 1101154807 /nfs/dbraw/zinc/15/48/07/1101154807.db2.gz WPCYEAKVWVCSCG-FUHWJXTLSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1nc(CNCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)s1 ZINC001497196294 1102108710 /nfs/dbraw/zinc/10/87/10/1102108710.db2.gz VDNPGXCQUYJQHK-LALPHHSUSA-N 1 3 338.521 2.085 10 0 EEAEHO Cc1nc(CNCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)s1 ZINC001497196294 1102108714 /nfs/dbraw/zinc/10/87/14/1102108714.db2.gz VDNPGXCQUYJQHK-LALPHHSUSA-N 1 3 338.521 2.085 10 0 EEAEHO C[C@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)CN(C)C1CCC1 ZINC001497204467 1102123697 /nfs/dbraw/zinc/12/36/97/1102123697.db2.gz DPTPGVCSVPDKTP-CYBMUJFWSA-N 1 3 339.430 2.434 10 0 EEAEHO CCN(CC[NH2+]Cc1cccc(OC)c1C)C(=O)[C@H]1CCCN1C ZINC001497362551 1102383044 /nfs/dbraw/zinc/38/30/44/1102383044.db2.gz SEIZGZNPLDTWQC-QGZVFWFLSA-N 1 3 333.476 2.036 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001497622177 1102763982 /nfs/dbraw/zinc/76/39/82/1102763982.db2.gz WIZOWEXZPLZLNG-VZSQWMKGSA-N 1 3 344.503 2.272 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001497622177 1102763996 /nfs/dbraw/zinc/76/39/96/1102763996.db2.gz WIZOWEXZPLZLNG-VZSQWMKGSA-N 1 3 344.503 2.272 10 0 EEAEHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]Cc1cncs1 ZINC001447537794 1102808741 /nfs/dbraw/zinc/80/87/41/1102808741.db2.gz HAUDUEJSDDVFRC-HIFRSBDPSA-N 1 3 338.521 2.058 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC/C=C/C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001497675831 1102884003 /nfs/dbraw/zinc/88/40/03/1102884003.db2.gz UOCAMQGHIFURBE-WOMSROEHSA-N 1 3 333.451 2.260 10 0 EEAEHO Cc1nccnc1CN[C@@H](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001447675515 1103097667 /nfs/dbraw/zinc/09/76/67/1103097667.db2.gz PFUJRGRTWROKAI-RDJZCZTQSA-N 1 3 347.507 2.034 10 0 EEAEHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC001448045481 1103885866 /nfs/dbraw/zinc/88/58/66/1103885866.db2.gz QNYOZAYDUPOONQ-MRXNPFEDSA-N 1 3 346.519 2.173 10 0 EEAEHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC001448045481 1103885873 /nfs/dbraw/zinc/88/58/73/1103885873.db2.gz QNYOZAYDUPOONQ-MRXNPFEDSA-N 1 3 346.519 2.173 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]CCCCc2ccccc2)C1 ZINC001480664445 1106843891 /nfs/dbraw/zinc/84/38/91/1106843891.db2.gz AHOVMECABWAUCU-SFHVURJKSA-N 1 3 340.471 2.413 10 0 EEAEHO C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NCc1nsc2ccccc12 ZINC001480809495 1107157396 /nfs/dbraw/zinc/15/73/96/1107157396.db2.gz XUEJBWQLXPQTOX-KGLIPLIRSA-N 1 3 346.500 2.232 10 0 EEAEHO C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1nsc2ccccc12 ZINC001480809495 1107157400 /nfs/dbraw/zinc/15/74/00/1107157400.db2.gz XUEJBWQLXPQTOX-KGLIPLIRSA-N 1 3 346.500 2.232 10 0 EEAEHO Cc1ccc(F)c(CN[C@H]2C[C@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001479392027 1110690358 /nfs/dbraw/zinc/69/03/58/1110690358.db2.gz RNDKQNDABCCQBM-JCNLHEQBSA-N 1 3 347.478 2.460 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CCOc2ccccc2)CC1 ZINC001499226056 1112187580 /nfs/dbraw/zinc/18/75/80/1112187580.db2.gz LUEODPFYBXUJLG-SFHVURJKSA-N 1 3 345.487 2.177 10 0 EEAEHO C[C@@H](NC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC001499421660 1112278772 /nfs/dbraw/zinc/27/87/72/1112278772.db2.gz OYVLESROSUVDST-CABCVRRESA-N 1 3 333.451 2.467 10 0 EEAEHO C[C@@H](NC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC001499421660 1112278775 /nfs/dbraw/zinc/27/87/75/1112278775.db2.gz OYVLESROSUVDST-CABCVRRESA-N 1 3 333.451 2.467 10 0 EEAEHO CCOCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001501091556 1113195732 /nfs/dbraw/zinc/19/57/32/1113195732.db2.gz OPOSRDTUIZXRCE-QFBILLFUSA-N 1 3 347.503 2.225 10 0 EEAEHO CC[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cccnc2C)CC1)N(C)C ZINC001502125432 1113602968 /nfs/dbraw/zinc/60/29/68/1113602968.db2.gz CKAMGNGYBIIECN-ZWKOTPCHSA-N 1 3 332.492 2.201 10 0 EEAEHO CC[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cccnc2C)CC1)N(C)C ZINC001502125432 1113602970 /nfs/dbraw/zinc/60/29/70/1113602970.db2.gz CKAMGNGYBIIECN-ZWKOTPCHSA-N 1 3 332.492 2.201 10 0 EEAEHO CC[C@H](C)CN1CCO[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001506723426 1114834042 /nfs/dbraw/zinc/83/40/42/1114834042.db2.gz JVWUGHPLFWUQAW-HKUYNNGSSA-N 1 3 339.524 2.068 10 0 EEAEHO C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)NCc1cncs1 ZINC001507128122 1115122878 /nfs/dbraw/zinc/12/28/78/1115122878.db2.gz AVPDFPYXXPOOBG-GJZGRUSLSA-N 1 3 338.521 2.344 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccnc(Cl)c1 ZINC001567976318 1124214027 /nfs/dbraw/zinc/21/40/27/1124214027.db2.gz AFFFHPDJGZPEPM-GDBMZVCRSA-N 1 3 340.899 2.306 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@@](C)(C[NH2+]CCC(F)(F)F)C2CC2)C1 ZINC001568027623 1124237462 /nfs/dbraw/zinc/23/74/62/1124237462.db2.gz FLHJWDUAYANONK-DOMZBBRYSA-N 1 3 335.414 2.155 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1ccccc1F)N(C)C ZINC001568279532 1124401268 /nfs/dbraw/zinc/40/12/68/1124401268.db2.gz PMPRNWXZWYOJKY-QAPCUYQASA-N 1 3 337.483 2.391 10 0 EEAEHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001568281752 1124402024 /nfs/dbraw/zinc/40/20/24/1124402024.db2.gz WFDFPJJXQUCVTD-GXTWGEPZSA-N 1 3 326.872 2.012 10 0 EEAEHO CN(Cc1ccc(C[N@H+](C)CC2(CO)CC2)cc1)CC1(CO)CC1 ZINC000186774700 529984553 /nfs/dbraw/zinc/98/45/53/529984553.db2.gz AFATXJGRPSPFQG-UHFFFAOYSA-N 1 3 332.488 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EEAEHO CC[N@H+]1CC[C@@H](N(C)CCc2c(C)nc3sccn3c2=O)[C@H](C)C1 ZINC000285502235 464586826 /nfs/dbraw/zinc/58/68/26/464586826.db2.gz FEYZLXPGZICCGN-CZUORRHYSA-N 1 3 348.516 2.269 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@@H+]1C ZINC000246468154 464588679 /nfs/dbraw/zinc/58/86/79/464588679.db2.gz VGGKQYVBMFUREN-KBAYOESNSA-N 1 3 332.492 2.413 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@H+]1C ZINC000246468154 464588683 /nfs/dbraw/zinc/58/86/83/464588683.db2.gz VGGKQYVBMFUREN-KBAYOESNSA-N 1 3 332.492 2.413 10 0 EEAEHO CCC[NH+]1CCC(NC(=O)CCN2CCc3ccccc3C2)CC1 ZINC000348973899 465899952 /nfs/dbraw/zinc/89/99/52/465899952.db2.gz UZMZCNHLZRIZQO-UHFFFAOYSA-N 1 3 329.488 2.425 10 0 EEAEHO CN(C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340302737 465971714 /nfs/dbraw/zinc/97/17/14/465971714.db2.gz KCWAKJDYHCPKMJ-QYZOEREBSA-N 1 3 342.487 2.310 10 0 EEAEHO CN(C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340302737 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EEAEHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C1CC1)[C@H]1CNCCO1 ZINC000422866912 466684940 /nfs/dbraw/zinc/68/49/40/466684940.db2.gz RBWSQJDCZQGVTB-WOJBJXKFSA-N 1 3 331.504 2.383 10 0 EEAEHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C1CC1)[C@H]1CNCCO1 ZINC000422866912 466684943 /nfs/dbraw/zinc/68/49/43/466684943.db2.gz RBWSQJDCZQGVTB-WOJBJXKFSA-N 1 3 331.504 2.383 10 0 EEAEHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000423106602 466691215 /nfs/dbraw/zinc/69/12/15/466691215.db2.gz JUFIIGUZCGZGPE-WFASDCNBSA-N 1 3 338.883 2.380 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2ccc(-c3cc[nH]n3)o2)CC[C@@H]1N1CCN(C)CC1 ZINC000373850983 466942185 /nfs/dbraw/zinc/94/21/85/466942185.db2.gz ORMUOGJEHGFQJD-QAPCUYQASA-N 1 3 343.475 2.128 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)CC[C@@H]1N1CCN(C)CC1 ZINC000373850983 466942187 /nfs/dbraw/zinc/94/21/87/466942187.db2.gz ORMUOGJEHGFQJD-QAPCUYQASA-N 1 3 343.475 2.128 10 0 EEAEHO CN1CC[C@H](NC(=O)NCCC[C@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000417946482 466998363 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10 0 EEAEHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCC[NH3+] ZINC000418314182 467091676 /nfs/dbraw/zinc/09/16/76/467091676.db2.gz RSCLXPQUKRZQDB-UHFFFAOYSA-N 1 3 346.397 2.127 10 0 EEAEHO CCN(C(=O)NC[C@H](C)C[NH3+])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418462765 467114826 /nfs/dbraw/zinc/11/48/26/467114826.db2.gz BUDKBLIUUIXYSY-SOLBZPMBSA-N 1 3 332.492 2.448 10 0 EEAEHO CCCN1CCN(c2ccccc2CN[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414942471 467454903 /nfs/dbraw/zinc/45/49/03/467454903.db2.gz DNTFGFKZSJWKQT-MJGOQNOKSA-N 1 3 330.520 2.449 10 0 EEAEHO CO[C@@]1(CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CCOC1 ZINC000449251277 467626022 /nfs/dbraw/zinc/62/60/22/467626022.db2.gz PPNCLEDEGQXXSZ-FXAWDEMLSA-N 1 3 332.488 2.477 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000514720176 467950944 /nfs/dbraw/zinc/95/09/44/467950944.db2.gz MZHWDWCBUJLSSP-LZWOXQAQSA-N 1 3 345.491 2.282 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000531357656 468046592 /nfs/dbraw/zinc/04/65/92/468046592.db2.gz PRWYOTDZGJYKRG-SFHVURJKSA-N 1 3 331.504 2.448 10 0 EEAEHO CCN1C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000516926410 468056846 /nfs/dbraw/zinc/05/68/46/468056846.db2.gz DUUJQXCYFAKOTP-MSOLQXFVSA-N 1 3 327.472 2.394 10 0 EEAEHO CCN1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000516926410 468056849 /nfs/dbraw/zinc/05/68/49/468056849.db2.gz DUUJQXCYFAKOTP-MSOLQXFVSA-N 1 3 327.472 2.394 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000557635327 468642470 /nfs/dbraw/zinc/64/24/70/468642470.db2.gz YOWQEGIIJIHFEF-ZIFCJYIRSA-N 1 3 329.488 2.498 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000557635327 468642474 /nfs/dbraw/zinc/64/24/74/468642474.db2.gz YOWQEGIIJIHFEF-ZIFCJYIRSA-N 1 3 329.488 2.498 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000570780192 468689421 /nfs/dbraw/zinc/68/94/21/468689421.db2.gz ZFKYTDCKPHVPOL-LJQANCHMSA-N 1 3 347.503 2.228 10 0 EEAEHO CS[C@@H]1CCCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596693457 469336763 /nfs/dbraw/zinc/33/67/63/469336763.db2.gz VLSXFEBLMJSZOS-JKSUJKDBSA-N 1 3 344.569 2.186 10 0 EEAEHO CS[C@@H]1CCCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596693457 469336766 /nfs/dbraw/zinc/33/67/66/469336766.db2.gz VLSXFEBLMJSZOS-JKSUJKDBSA-N 1 3 344.569 2.186 10 0 EEAEHO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCCN(C)C1)Cc1ccccc1 ZINC000618555496 469387985 /nfs/dbraw/zinc/38/79/85/469387985.db2.gz ZRHZWZVYDCGFMK-RBUKOAKNSA-N 1 3 346.519 2.333 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CCN1C ZINC000625801068 469393028 /nfs/dbraw/zinc/39/30/28/469393028.db2.gz AWQVMSAXUPHIQY-XGXHKWSGSA-N 1 3 329.488 2.273 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCN1C ZINC000625801068 469393032 /nfs/dbraw/zinc/39/30/32/469393032.db2.gz AWQVMSAXUPHIQY-XGXHKWSGSA-N 1 3 329.488 2.273 10 0 EEAEHO Cc1ccc2[nH]c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc2c1 ZINC000617504454 469701554 /nfs/dbraw/zinc/70/15/54/469701554.db2.gz WVDIEMXHPWRWMF-HNNXBMFYSA-N 1 3 330.476 2.478 10 0 EEAEHO Cc1ccc2[nH]c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc2c1 ZINC000617504454 469701559 /nfs/dbraw/zinc/70/15/59/469701559.db2.gz WVDIEMXHPWRWMF-HNNXBMFYSA-N 1 3 330.476 2.478 10 0 EEAEHO COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1Cl ZINC000617508156 469707662 /nfs/dbraw/zinc/70/76/62/469707662.db2.gz VHOQJZMJLHLTDA-ZDUSSCGKSA-N 1 3 341.883 2.350 10 0 EEAEHO COc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1Cl ZINC000617508156 469707668 /nfs/dbraw/zinc/70/76/68/469707668.db2.gz VHOQJZMJLHLTDA-ZDUSSCGKSA-N 1 3 341.883 2.350 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000626994819 469781380 /nfs/dbraw/zinc/78/13/80/469781380.db2.gz KIETVAQPOMWMAM-OQIJWPOYSA-N 1 3 344.503 2.479 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)NC[C@@H](C)[NH+]3CCCC3)cc2)CC1 ZINC000608352102 469806014 /nfs/dbraw/zinc/80/60/14/469806014.db2.gz UGSSUCOAZLJUMA-QGZVFWFLSA-N 1 3 344.503 2.043 10 0 EEAEHO NC(=O)COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3N)cc2)cc1 ZINC000622044588 470153783 /nfs/dbraw/zinc/15/37/83/470153783.db2.gz LJPJIDIGRBSRST-RBUKOAKNSA-N 1 3 339.439 2.187 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625567855 470164445 /nfs/dbraw/zinc/16/44/45/470164445.db2.gz XQDMYLPXHOWODB-SLFFLAALSA-N 1 3 341.499 2.355 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625567855 470164446 /nfs/dbraw/zinc/16/44/46/470164446.db2.gz XQDMYLPXHOWODB-SLFFLAALSA-N 1 3 341.499 2.355 10 0 EEAEHO C[C@](O)(C[C@@H](O)CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634701360 470281824 /nfs/dbraw/zinc/28/18/24/470281824.db2.gz OOFYURASHREVLK-TYPHKJRUSA-N 1 3 346.515 2.400 10 0 EEAEHO C[C@](O)(C[C@@H](O)CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000634701360 470281826 /nfs/dbraw/zinc/28/18/26/470281826.db2.gz OOFYURASHREVLK-TYPHKJRUSA-N 1 3 346.515 2.400 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000645904574 470455681 /nfs/dbraw/zinc/45/56/81/470455681.db2.gz ADTLECDTLWJDOR-WNRNVDISSA-N 1 3 336.524 2.233 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000645904574 470455687 /nfs/dbraw/zinc/45/56/87/470455687.db2.gz ADTLECDTLWJDOR-WNRNVDISSA-N 1 3 336.524 2.233 10 0 EEAEHO OC1(C2CCN(C/C=C/C[NH+]3CCC(C4(O)CC4)CC3)CC2)CC1 ZINC000649671032 470661603 /nfs/dbraw/zinc/66/16/03/470661603.db2.gz FZQXGJNCUKPZON-OWOJBTEDSA-N 1 3 334.504 2.016 10 0 EEAEHO Cn1nccc1-c1ccccc1C[NH2+]CCCN1CCCN(C)CC1 ZINC000644885135 471079584 /nfs/dbraw/zinc/07/95/84/471079584.db2.gz UNLKJPQULAPAKN-UHFFFAOYSA-N 1 3 341.503 2.204 10 0 EEAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cnn(-c2ccc(F)cc2)c1 ZINC000657572731 471172172 /nfs/dbraw/zinc/17/21/72/471172172.db2.gz CYEMCJHWMGLTOW-INIZCTEOSA-N 1 3 347.482 2.373 10 0 EEAEHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3COC4(CCC4)C3)cc2)CC1 ZINC000657873231 471243404 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C[NH2+]Cc1ccccc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000659303215 471572971 /nfs/dbraw/zinc/57/29/71/471572971.db2.gz MEVNWDNIUWOAEM-OLZOCXBDSA-N 1 3 346.349 2.329 10 0 EEAEHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000659559661 471677027 /nfs/dbraw/zinc/67/70/27/471677027.db2.gz OMCGVWFLOGZVQC-SFHVURJKSA-N 1 3 344.503 2.074 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000659622670 471701489 /nfs/dbraw/zinc/70/14/89/471701489.db2.gz UGJGACYSWLVNRA-ZWKOTPCHSA-N 1 3 332.492 2.276 10 0 EEAEHO CCN(C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@H]1CCN(CC)C1 ZINC000667336211 471744441 /nfs/dbraw/zinc/74/44/41/471744441.db2.gz ZSSYAHVDGPNEPT-SFHVURJKSA-N 1 3 336.524 2.234 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCC(F)(F)C1 ZINC000664482135 471765745 /nfs/dbraw/zinc/76/57/45/471765745.db2.gz NIXZOZIENSACFO-KBPBESRZSA-N 1 3 334.455 2.136 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCC(F)(F)C1 ZINC000664482135 471765748 /nfs/dbraw/zinc/76/57/48/471765748.db2.gz NIXZOZIENSACFO-KBPBESRZSA-N 1 3 334.455 2.136 10 0 EEAEHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000667785736 471903352 /nfs/dbraw/zinc/90/33/52/471903352.db2.gz YTJJYTIWXUZIEQ-PMACEKPBSA-N 1 3 329.488 2.091 10 0 EEAEHO C[C@@H](CN1CCCCC1)NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000667827763 471920837 /nfs/dbraw/zinc/92/08/37/471920837.db2.gz NJFPJLCLXOYUJT-ZDUSSCGKSA-N 1 3 334.439 2.467 10 0 EEAEHO CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665758597 472173290 /nfs/dbraw/zinc/17/32/90/472173290.db2.gz KKSIPGARMVFWML-WMZOPIPTSA-N 1 3 349.523 2.446 10 0 EEAEHO CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665758597 472173294 /nfs/dbraw/zinc/17/32/94/472173294.db2.gz KKSIPGARMVFWML-WMZOPIPTSA-N 1 3 349.523 2.446 10 0 EEAEHO CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665758596 472174106 /nfs/dbraw/zinc/17/41/06/472174106.db2.gz KKSIPGARMVFWML-FUHWJXTLSA-N 1 3 349.523 2.446 10 0 EEAEHO CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665758596 472174110 /nfs/dbraw/zinc/17/41/10/472174110.db2.gz KKSIPGARMVFWML-FUHWJXTLSA-N 1 3 349.523 2.446 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC000665760950 472174804 /nfs/dbraw/zinc/17/48/04/472174804.db2.gz SXNOQJYROBIAIX-IRXDYDNUSA-N 1 3 338.540 2.480 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC000665760950 472174808 /nfs/dbraw/zinc/17/48/08/472174808.db2.gz SXNOQJYROBIAIX-IRXDYDNUSA-N 1 3 338.540 2.480 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000665764243 472178927 /nfs/dbraw/zinc/17/89/27/472178927.db2.gz YXRCIRKKUYJOJV-VBRUWADQSA-N 1 3 348.535 2.112 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000665764243 472178931 /nfs/dbraw/zinc/17/89/31/472178931.db2.gz YXRCIRKKUYJOJV-VBRUWADQSA-N 1 3 348.535 2.112 10 0 EEAEHO NC[C@@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000662971030 472312670 /nfs/dbraw/zinc/31/26/70/472312670.db2.gz AWUCFNNHHOVXGX-GOSISDBHSA-N 1 3 333.451 2.106 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)N(C)CCCC[NH+](C)C)cc2)CC1 ZINC000673841978 485551344 /nfs/dbraw/zinc/55/13/44/485551344.db2.gz NUCPGWUYTMYKJW-UHFFFAOYSA-N 1 3 346.519 2.242 10 0 EEAEHO Cc1ccc([C@@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(C)n1 ZINC000679086329 485585484 /nfs/dbraw/zinc/58/54/84/485585484.db2.gz JMJJTVOXSDKPES-AEFFLSMTSA-N 1 3 334.508 2.442 10 0 EEAEHO CN1CCC[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000674149267 485648219 /nfs/dbraw/zinc/64/82/19/485648219.db2.gz UMLHUPFOTYAVNI-SFHVURJKSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C[NH2+]1 ZINC000626955096 485695364 /nfs/dbraw/zinc/69/53/64/485695364.db2.gz SRTCGRHKFRQINA-NZSAHSFTSA-N 1 3 344.503 2.338 10 0 EEAEHO CN1CCC[C@H](NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000681655661 486300195 /nfs/dbraw/zinc/30/01/95/486300195.db2.gz UXCDVBKQTYGCDQ-AZUAARDMSA-N 1 3 344.503 2.435 10 0 EEAEHO CN1CCC[C@H](NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000681655661 486300202 /nfs/dbraw/zinc/30/02/02/486300202.db2.gz UXCDVBKQTYGCDQ-AZUAARDMSA-N 1 3 344.503 2.435 10 0 EEAEHO CC[NH+](CC)[C@@H]1CCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000416157567 528249554 /nfs/dbraw/zinc/24/95/54/528249554.db2.gz DKRCJSIUAJFKIZ-LJQANCHMSA-N 1 3 329.488 2.378 10 0 EEAEHO Brc1cnc(CNC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000895407137 684590199 /nfs/dbraw/zinc/59/01/99/684590199.db2.gz LITODYJOJQCXCJ-UHFFFAOYSA-N 1 3 348.248 2.393 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)CCN1C ZINC000925326258 692473851 /nfs/dbraw/zinc/47/38/51/692473851.db2.gz PZABIVKAFCLYSV-MJGOQNOKSA-N 1 3 346.519 2.285 10 0 EEAEHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccnc(Cl)c2)C1)N(C)C ZINC001691166879 1177664459 /nfs/dbraw/zinc/66/44/59/1177664459.db2.gz DEHADZQVONVAHE-KKUMJFAQSA-N 1 3 338.883 2.060 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001266878040 1177688466 /nfs/dbraw/zinc/68/84/66/1177688466.db2.gz OVBWICMLVQMOAM-SFHVURJKSA-N 1 3 326.444 2.166 10 0 EEAEHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]CCc3ccccc3F)C2)CCC1 ZINC001267046176 1178144111 /nfs/dbraw/zinc/14/41/11/1178144111.db2.gz XRZSVJOTUUHZLN-MRXNPFEDSA-N 1 3 347.478 2.291 10 0 EEAEHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001267057267 1178164328 /nfs/dbraw/zinc/16/43/28/1178164328.db2.gz DQDBHOSWNVBIHV-RTBURBONSA-N 1 3 331.504 2.253 10 0 EEAEHO CC(C)[N@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1cncc(F)c1 ZINC001267308364 1178731375 /nfs/dbraw/zinc/73/13/75/1178731375.db2.gz VMTURRFUQSLIJG-QGZVFWFLSA-N 1 3 336.455 2.032 10 0 EEAEHO CC(C)[N@@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1cncc(F)c1 ZINC001267308364 1178731379 /nfs/dbraw/zinc/73/13/79/1178731379.db2.gz VMTURRFUQSLIJG-QGZVFWFLSA-N 1 3 336.455 2.032 10 0 EEAEHO Cc1cc(C)c(CN(C)CCNC(=O)C23CC[NH+](CC2)C3)c(C)c1 ZINC001480936152 1178912214 /nfs/dbraw/zinc/91/22/14/1178912214.db2.gz XKYXGBJNOSSOBW-UHFFFAOYSA-N 1 3 329.488 2.256 10 0 EEAEHO Cc1cc(CNCCN(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)sn1 ZINC001267455987 1179038826 /nfs/dbraw/zinc/03/88/26/1179038826.db2.gz JEMOVEIAHAUWCE-CABCVRRESA-N 1 3 338.521 2.120 10 0 EEAEHO CN(CC[NH2+]CCCc1c(F)cccc1F)C(=O)CN1CCCC1 ZINC001267468885 1179089764 /nfs/dbraw/zinc/08/97/64/1179089764.db2.gz DUHCFTAIPFEZLF-UHFFFAOYSA-N 1 3 339.430 2.041 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[N@H+](C)CCCCCF)C2)C1 ZINC001481498599 1181572074 /nfs/dbraw/zinc/57/20/74/1181572074.db2.gz QOQBCJNPBLOBEK-DLBZAZTESA-N 1 3 327.488 2.248 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)CCCCCF)C2)C1 ZINC001481498599 1181572078 /nfs/dbraw/zinc/57/20/78/1181572078.db2.gz QOQBCJNPBLOBEK-DLBZAZTESA-N 1 3 327.488 2.248 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]C[C@@H](OC)C2CCCC2)C1)N(C)C ZINC001481522347 1181639048 /nfs/dbraw/zinc/63/90/48/1181639048.db2.gz MURMUWZDKPXPOL-OKZBNKHCSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@@H](CCNCc1cccc(F)c1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268425090 1182597305 /nfs/dbraw/zinc/59/73/05/1182597305.db2.gz YSGJQUJVBSBONJ-GXTWGEPZSA-N 1 3 341.858 2.415 10 0 EEAEHO C[C@@H](CCNCc1cccc(F)c1Cl)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268425090 1182597309 /nfs/dbraw/zinc/59/73/09/1182597309.db2.gz YSGJQUJVBSBONJ-GXTWGEPZSA-N 1 3 341.858 2.415 10 0 EEAEHO CCN(CCNCc1cc(C)ns1)C(=O)C12CCC[NH+]1CCC2 ZINC001268461580 1182759678 /nfs/dbraw/zinc/75/96/78/1182759678.db2.gz SGVSSMTUQVZIPK-UHFFFAOYSA-N 1 3 336.505 2.018 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CCF)C1 ZINC001481986335 1183089572 /nfs/dbraw/zinc/08/95/72/1183089572.db2.gz MQYHHRJJRVXYCW-IAGOWNOFSA-N 1 3 327.488 2.437 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCc1ccccc1Cl ZINC001268574864 1183315164 /nfs/dbraw/zinc/31/51/64/1183315164.db2.gz MJRZWZSTKJNPHM-VGOKWCNXSA-N 1 3 335.879 2.239 10 0 EEAEHO C[C@@H](CNC/C(Cl)=C\Cl)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482136047 1183442394 /nfs/dbraw/zinc/44/23/94/1183442394.db2.gz OECHAUFXUGCPEC-GNTRMGLASA-N 1 3 336.307 2.378 10 0 EEAEHO C[C@@H](CNC/C(Cl)=C\Cl)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482136047 1183442397 /nfs/dbraw/zinc/44/23/97/1183442397.db2.gz OECHAUFXUGCPEC-GNTRMGLASA-N 1 3 336.307 2.378 10 0 EEAEHO CN(CCC[NH2+]C/C=C\Cl)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268847246 1183763372 /nfs/dbraw/zinc/76/33/72/1183763372.db2.gz GACKKKXYHQFSAL-SBSDFTTDSA-N 1 3 333.879 2.390 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCOc2ccccc2)C[C@H]1C ZINC001269989574 1184769498 /nfs/dbraw/zinc/76/94/98/1184769498.db2.gz ULRJIHILTAGZHF-MSOLQXFVSA-N 1 3 347.503 2.375 10 0 EEAEHO CC(C)OCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001270144102 1184881892 /nfs/dbraw/zinc/88/18/92/1184881892.db2.gz PUSWBIZSQUXNBZ-ZWKOTPCHSA-N 1 3 339.524 2.255 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCc1ccsc1 ZINC001270184843 1184905142 /nfs/dbraw/zinc/90/51/42/1184905142.db2.gz UOWCBYJNJLHQMF-IAGOWNOFSA-N 1 3 335.517 2.356 10 0 EEAEHO CC(C)COCC[NH+]1CCC(C)(NC(=O)CN(C)C2CCC2)CC1 ZINC001270237002 1184945703 /nfs/dbraw/zinc/94/57/03/1184945703.db2.gz GAZOLJOBQXFUBN-UHFFFAOYSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCC=C(Cl)Cl)CC[N@@H+]1C ZINC001482288240 1185089697 /nfs/dbraw/zinc/08/96/97/1185089697.db2.gz IUVJDCGGSDSDPP-RWMBFGLXSA-N 1 3 336.307 2.472 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCC=C(Cl)Cl)CC[N@H+]1C ZINC001482288240 1185089702 /nfs/dbraw/zinc/08/97/02/1185089702.db2.gz IUVJDCGGSDSDPP-RWMBFGLXSA-N 1 3 336.307 2.472 10 0 EEAEHO C[C@H](C[NH2+]Cc1ccc(Cl)nc1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001482292585 1185129624 /nfs/dbraw/zinc/12/96/24/1185129624.db2.gz ROBFOLFQYATODE-CYBMUJFWSA-N 1 3 338.883 2.156 10 0 EEAEHO C[C@@]1(C[NH2+]CCCc2ccccc2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001270805156 1185404220 /nfs/dbraw/zinc/40/42/20/1185404220.db2.gz HPOXWYBFDUQVRL-FQEVSTJZSA-N 1 3 340.471 2.413 10 0 EEAEHO CC(C)[N@H+](CCCNC(=O)CN1CCCC1)Cc1cncc(F)c1 ZINC001691764018 1185523427 /nfs/dbraw/zinc/52/34/27/1185523427.db2.gz WDYVKAJDYRRIIZ-UHFFFAOYSA-N 1 3 336.455 2.033 10 0 EEAEHO CC(C)[N@@H+](CCCNC(=O)CN1CCCC1)Cc1cncc(F)c1 ZINC001691764018 1185523433 /nfs/dbraw/zinc/52/34/33/1185523433.db2.gz WDYVKAJDYRRIIZ-UHFFFAOYSA-N 1 3 336.455 2.033 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CCCCC1 ZINC001482406638 1185630123 /nfs/dbraw/zinc/63/01/23/1185630123.db2.gz NBNIZRHKSNWCKY-DLBZAZTESA-N 1 3 327.488 2.483 10 0 EEAEHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccc(Cl)n1)N(C)C ZINC001482875613 1187794993 /nfs/dbraw/zinc/79/49/93/1187794993.db2.gz WNUGITSWVPEOCH-OCCSQVGLSA-N 1 3 326.872 2.060 10 0 EEAEHO Cc1nc(C)c(CNCC[C@H](C)NC(=O)CC[NH+]2CCCCC2)o1 ZINC001482903006 1187828942 /nfs/dbraw/zinc/82/89/42/1187828942.db2.gz VZZQYSBEPFZOLK-AWEZNQCLSA-N 1 3 336.480 2.152 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001483067154 1188398986 /nfs/dbraw/zinc/39/89/86/1188398986.db2.gz AVJKGHBEHAFLOP-YJZIAQIGSA-N 1 3 342.487 2.169 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001483067154 1188398989 /nfs/dbraw/zinc/39/89/89/1188398989.db2.gz AVJKGHBEHAFLOP-YJZIAQIGSA-N 1 3 342.487 2.169 10 0 EEAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001409343469 1189549792 /nfs/dbraw/zinc/54/97/92/1189549792.db2.gz BWRTXCYLTPJGAO-LSDHHAIUSA-N 1 3 345.487 2.184 10 0 EEAEHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]CCc1ccccc1F ZINC001409347890 1189558539 /nfs/dbraw/zinc/55/85/39/1189558539.db2.gz FAEDSJMZTWAWOC-HUUCEWRRSA-N 1 3 335.467 2.335 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CCC1CCOCC1 ZINC001409554923 1190029124 /nfs/dbraw/zinc/02/91/24/1190029124.db2.gz KWPMKWSKWHWCGL-SJLPKXTDSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCC1CCOCC1 ZINC001409554923 1190029128 /nfs/dbraw/zinc/02/91/28/1190029128.db2.gz KWPMKWSKWHWCGL-SJLPKXTDSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1cc(CNC[C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)sn1 ZINC001483297133 1190319882 /nfs/dbraw/zinc/31/98/82/1190319882.db2.gz XWGLLMDYWAANRG-AWEZNQCLSA-N 1 3 346.500 2.421 10 0 EEAEHO Cc1ncoc1C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001483437903 1190479260 /nfs/dbraw/zinc/47/92/60/1190479260.db2.gz QSOWRRNBPJRMBT-JKSUJKDBSA-N 1 3 348.491 2.232 10 0 EEAEHO CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1csc(C)n1 ZINC001483619812 1190601205 /nfs/dbraw/zinc/60/12/05/1190601205.db2.gz DPGCXWXKBGVXSS-HOCLYGCPSA-N 1 3 338.521 2.120 10 0 EEAEHO CCOCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001486137991 1193692656 /nfs/dbraw/zinc/69/26/56/1193692656.db2.gz WMAGLAVTWUSNLO-QFBILLFUSA-N 1 3 347.503 2.367 10 0 EEAEHO C[NH+](C)CCCC(=O)N[C@]12CCC[C@@H]1N(Cc1ccccn1)CC2 ZINC001486147584 1193698390 /nfs/dbraw/zinc/69/83/90/1193698390.db2.gz KFDYRVBMXWQBLT-HKUYNNGSSA-N 1 3 330.476 2.037 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCCOC)C2)N(C)C ZINC001483832614 1191069267 /nfs/dbraw/zinc/06/92/67/1191069267.db2.gz DUSSMOYDKFNNRA-HKUYNNGSSA-N 1 3 339.524 2.068 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCCOC)C2)N(C)C ZINC001483832614 1191069270 /nfs/dbraw/zinc/06/92/70/1191069270.db2.gz DUSSMOYDKFNNRA-HKUYNNGSSA-N 1 3 339.524 2.068 10 0 EEAEHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]CC[C@H]1CCCCO1)C1CCC1 ZINC001483934377 1191123556 /nfs/dbraw/zinc/12/35/56/1191123556.db2.gz PEJWOCQEOHNXCV-QZTJIDSGSA-N 1 3 337.508 2.011 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]CCC[C@H]2CCOC2)CC1 ZINC001484928212 1191574197 /nfs/dbraw/zinc/57/41/97/1191574197.db2.gz KZTGBBAQXSYMJY-KRWDZBQOSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCCCC(F)(F)F ZINC001485218562 1191690041 /nfs/dbraw/zinc/69/00/41/1191690041.db2.gz VMCPZDVNWYOWLW-QWRGUYRKSA-N 1 3 334.386 2.476 10 0 EEAEHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)Cc1cccc(Cl)c1 ZINC001485373398 1191763111 /nfs/dbraw/zinc/76/31/11/1191763111.db2.gz OZAVHDJXYAFMTC-CQSZACIVSA-N 1 3 335.879 2.372 10 0 EEAEHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C/C=C\c1ccccc1 ZINC001485373136 1191770121 /nfs/dbraw/zinc/77/01/21/1191770121.db2.gz KTYCZNADEVXWAT-YXGRLTDGSA-N 1 3 329.488 2.478 10 0 EEAEHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C/C=C\c1ccccc1 ZINC001485373136 1191770123 /nfs/dbraw/zinc/77/01/23/1191770123.db2.gz KTYCZNADEVXWAT-YXGRLTDGSA-N 1 3 329.488 2.478 10 0 EEAEHO COC[C@@H](C)N1CC([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001485513638 1191816356 /nfs/dbraw/zinc/81/63/56/1191816356.db2.gz UQTJBTOQIWEPHO-CABCVRRESA-N 1 3 339.524 2.111 10 0 EEAEHO COC[C@@H](C)N1CC([C@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001485513638 1191816358 /nfs/dbraw/zinc/81/63/58/1191816358.db2.gz UQTJBTOQIWEPHO-CABCVRRESA-N 1 3 339.524 2.111 10 0 EEAEHO CCOCCCN1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H]1C ZINC001486177174 1193715699 /nfs/dbraw/zinc/71/56/99/1193715699.db2.gz PMVQNNBTRRJEPJ-DLBZAZTESA-N 1 3 337.508 2.011 10 0 EEAEHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC(NCC=C(Cl)Cl)C1 ZINC001486480776 1193994798 /nfs/dbraw/zinc/99/47/98/1193994798.db2.gz NUWVJMWSDBLIFD-HIFPTAJRSA-N 1 3 334.291 2.226 10 0 EEAEHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC(NCC=C(Cl)Cl)C1 ZINC001486480776 1193994800 /nfs/dbraw/zinc/99/48/00/1193994800.db2.gz NUWVJMWSDBLIFD-HIFPTAJRSA-N 1 3 334.291 2.226 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC2(C3CC[NH+](CCCF)CC3)CC2)C1 ZINC001486491099 1194003157 /nfs/dbraw/zinc/00/31/57/1194003157.db2.gz OHEHCRLNVBXLLS-OAHLLOKOSA-N 1 3 325.472 2.049 10 0 EEAEHO CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001410218047 1197611030 /nfs/dbraw/zinc/61/10/30/1197611030.db2.gz BHNXAKURBYEKDM-XSWJXKHESA-N 1 3 345.478 2.431 10 0 EEAEHO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N(C)CCCCCC[NH3+] ZINC000872154925 1198063188 /nfs/dbraw/zinc/06/31/88/1198063188.db2.gz FLCJZWDWUCJVOJ-NVXWUHKLSA-N 1 3 333.476 2.466 10 0 EEAEHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(C)nc2C)C1)N(C)C ZINC001411246019 1198966931 /nfs/dbraw/zinc/96/69/31/1198966931.db2.gz BQDIZLWXBLZPDD-ABHNRTSZSA-N 1 3 332.492 2.118 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000810701651 1199683512 /nfs/dbraw/zinc/68/35/12/1199683512.db2.gz QFYKOXHXBDTQPJ-SFHVURJKSA-N 1 3 327.488 2.437 10 0 EEAEHO CSC1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[NH+](C)CC1 ZINC000810881107 1199785545 /nfs/dbraw/zinc/78/55/45/1199785545.db2.gz GAYUKBLLRUTTPW-QGZVFWFLSA-N 1 3 345.528 2.143 10 0 EEAEHO COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H](C)N1CCCCCC1 ZINC000869765666 1200265074 /nfs/dbraw/zinc/26/50/74/1200265074.db2.gz OKHVERFBDIPROI-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870908546 1200945608 /nfs/dbraw/zinc/94/56/08/1200945608.db2.gz PTVGGKWZHSGYOF-HFTRVMKXSA-N 1 3 335.879 2.358 10 0 EEAEHO CC(C)(C)c1cccc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866711123 1201586688 /nfs/dbraw/zinc/58/66/88/1201586688.db2.gz CKIWYISSCPLULY-KURKYZTESA-N 1 3 343.471 2.351 10 0 EEAEHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1CC[NH2+]CCOC1CCC1 ZINC001691732135 1204238736 /nfs/dbraw/zinc/23/87/36/1204238736.db2.gz JHQKBCFJYHMZAA-YJBOKZPZSA-N 1 3 348.491 2.128 10 0 EEAEHO C[C@H](C[NH2+]CC[C@@H]1CCCCO1)NC(=O)c1cccc(CN(C)C)c1 ZINC001275039766 1205242157 /nfs/dbraw/zinc/24/21/57/1205242157.db2.gz XRDDECADZDZHNC-APWZRJJASA-N 1 3 347.503 2.415 10 0 EEAEHO C[C@@H](NCc1ccc(Cl)nc1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001275472800 1205376349 /nfs/dbraw/zinc/37/63/49/1205376349.db2.gz XYUPLDMAPXQELG-OLZOCXBDSA-N 1 3 326.872 2.060 10 0 EEAEHO CC(C)OCC[NH2+]C1CCC(N(C)C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001275608614 1205442153 /nfs/dbraw/zinc/44/21/53/1205442153.db2.gz BIOZDGWTCSWNTF-ABHNRTSZSA-N 1 3 341.540 2.357 10 0 EEAEHO COc1cccc(C(=O)NCCN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925509246 1206121242 /nfs/dbraw/zinc/12/12/42/1206121242.db2.gz VXMRLNMZNIENDY-MOPGFXCFSA-N 1 3 345.487 2.183 10 0 EEAEHO CC1(C)[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925535135 1206124594 /nfs/dbraw/zinc/12/45/94/1206124594.db2.gz BYIIJEAOWJCINB-IXDOHACOSA-N 1 3 331.460 2.250 10 0 EEAEHO COc1ccc(C(=O)NCCN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925584171 1206132187 /nfs/dbraw/zinc/13/21/87/1206132187.db2.gz KMWVOFNNNQQZSC-RBUKOAKNSA-N 1 3 345.487 2.183 10 0 EEAEHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CNCCC1(F)F ZINC000925781173 1206153564 /nfs/dbraw/zinc/15/35/64/1206153564.db2.gz HMYHQEJXLYIPMS-BFYDXBDKSA-N 1 3 338.446 2.126 10 0 EEAEHO C[C@@H]1CN(C/C=C/C[N@H+]2Cc3c[nH]nc3[C@H](C)C2)Cc2c[nH]nc21 ZINC000931460188 1207387003 /nfs/dbraw/zinc/38/70/03/1207387003.db2.gz FGYDVFKEXCJGHY-LSMGEYOZSA-N 1 3 326.448 2.227 10 0 EEAEHO C[C@@H]1CN(C/C=C/C[N@@H+]2Cc3c[nH]nc3[C@H](C)C2)Cc2c[nH]nc21 ZINC000931460188 1207387007 /nfs/dbraw/zinc/38/70/07/1207387007.db2.gz FGYDVFKEXCJGHY-LSMGEYOZSA-N 1 3 326.448 2.227 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1cnn(C(C)(C)C)c1 ZINC001491455076 1259097682 /nfs/dbraw/zinc/09/76/82/1259097682.db2.gz OBMUBIIDZZJPOM-NVXWUHKLSA-N 1 3 349.523 2.105 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1cnn(C(C)(C)C)c1 ZINC001491455076 1259097688 /nfs/dbraw/zinc/09/76/88/1259097688.db2.gz OBMUBIIDZZJPOM-NVXWUHKLSA-N 1 3 349.523 2.105 10 0 EEAEHO CC(C)c1cccc(C[NH2+][C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)n1 ZINC001490897504 1286640887 /nfs/dbraw/zinc/64/08/87/1286640887.db2.gz KZHRYACYFWOZJH-QAQDUYKDSA-N 1 3 344.503 2.426 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccc(Cl)nc1 ZINC000855345475 1293183724 /nfs/dbraw/zinc/18/37/24/1293183724.db2.gz BECZSCPLMKAQDT-LEJCZOIISA-N 1 3 338.883 2.136 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccc(Cl)nc1 ZINC000855345475 1293183727 /nfs/dbraw/zinc/18/37/27/1293183727.db2.gz BECZSCPLMKAQDT-LEJCZOIISA-N 1 3 338.883 2.136 10 0 EEAEHO CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[C@@H](CNCCF)C1CC1 ZINC001277655151 1304108873 /nfs/dbraw/zinc/10/88/73/1304108873.db2.gz KKBBDNLJEHTUAB-IRXDYDNUSA-N 1 3 325.472 2.190 10 0 EEAEHO CN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[C@@H](CNCCF)C1CC1 ZINC001277655151 1304108876 /nfs/dbraw/zinc/10/88/76/1304108876.db2.gz KKBBDNLJEHTUAB-IRXDYDNUSA-N 1 3 325.472 2.190 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCOc1ccccc1C)N(C)C ZINC001277940111 1305207602 /nfs/dbraw/zinc/20/76/02/1305207602.db2.gz BVQDPKXDEOEUDT-ROUUACIJSA-N 1 3 347.503 2.295 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N[C@](C)(C[NH3+])CC(C)C)cc(Cl)n1 ZINC000841849019 1315622882 /nfs/dbraw/zinc/62/28/82/1315622882.db2.gz MJHGUCMQWSVXKY-BBRMVZONSA-N 1 3 326.872 2.313 10 0 EEAEHO CN(C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC000841866680 1315626363 /nfs/dbraw/zinc/62/63/63/1315626363.db2.gz GIMSPSPJUAYERV-ZGUYJTEBSA-N 1 3 330.476 2.343 10 0 EEAEHO Cn1cc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000842684183 1315753807 /nfs/dbraw/zinc/75/38/07/1315753807.db2.gz IRXFCVSIHBLBLO-RTBURBONSA-N 1 3 340.471 2.240 10 0 EEAEHO Cn1cc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000842684183 1315753809 /nfs/dbraw/zinc/75/38/09/1315753809.db2.gz IRXFCVSIHBLBLO-RTBURBONSA-N 1 3 340.471 2.240 10 0 EEAEHO COCCCC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001264128225 1322636714 /nfs/dbraw/zinc/63/67/14/1322636714.db2.gz TVNHKZYVZVFRBG-QGZVFWFLSA-N 1 3 327.513 2.114 10 0 EEAEHO COCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001264196968 1322664097 /nfs/dbraw/zinc/66/40/97/1322664097.db2.gz PZVIERRXMQVNSV-IRXDYDNUSA-N 1 3 341.540 2.216 10 0 EEAEHO COCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001264196968 1322664103 /nfs/dbraw/zinc/66/41/03/1322664103.db2.gz PZVIERRXMQVNSV-IRXDYDNUSA-N 1 3 341.540 2.216 10 0 EEAEHO Cc1cccnc1CN(C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001265046610 1322886481 /nfs/dbraw/zinc/88/64/81/1322886481.db2.gz JWMSNXVNIHYYMG-HKUYNNGSSA-N 1 3 344.503 2.345 10 0 EEAEHO Cc1cccnc1CN(C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001265046610 1322886484 /nfs/dbraw/zinc/88/64/84/1322886484.db2.gz JWMSNXVNIHYYMG-HKUYNNGSSA-N 1 3 344.503 2.345 10 0 EEAEHO Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001265446485 1323160187 /nfs/dbraw/zinc/16/01/87/1323160187.db2.gz IXYOAAJPLHZXKW-ICSRJNTNSA-N 1 3 343.515 2.460 10 0 EEAEHO Cc1oncc1C[N@H+]1CCC[C@@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001266220264 1323791557 /nfs/dbraw/zinc/79/15/57/1323791557.db2.gz QMVQZZAQCDXCBQ-KRWDZBQOSA-N 1 3 348.491 2.328 10 0 EEAEHO Cc1oncc1C[N@@H+]1CCC[C@@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001266220264 1323791563 /nfs/dbraw/zinc/79/15/63/1323791563.db2.gz QMVQZZAQCDXCBQ-KRWDZBQOSA-N 1 3 348.491 2.328 10 0 EEAEHO Cc1cc(F)ccc1C[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001280208007 1324115883 /nfs/dbraw/zinc/11/58/83/1324115883.db2.gz QSXHPBDFGQICDI-OAHLLOKOSA-N 1 3 344.434 2.428 10 0 EEAEHO CC(C)N(C)CC(=O)NC1(C[NH2+]CCC(C)(C)C)CCOCC1 ZINC001281284673 1324933792 /nfs/dbraw/zinc/93/37/92/1324933792.db2.gz HOVFUWOHCRXSMH-UHFFFAOYSA-N 1 3 327.513 2.018 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H]2CCCCO2)C1)N(C)C ZINC001283051161 1325900968 /nfs/dbraw/zinc/90/09/68/1325900968.db2.gz ADVSOZASVHMCGR-TVFCKZIOSA-N 1 3 339.524 2.016 10 0 EEAEHO CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001316624924 1325962242 /nfs/dbraw/zinc/96/22/42/1325962242.db2.gz PINWJMNGAUCYOT-RVKKMQEKSA-N 1 3 327.488 2.483 10 0 EEAEHO O=C(N[C@@H]1CCC[C@H](NC/C(Cl)=C/Cl)C1)C12CC[NH+](CC1)C2 ZINC001491891010 1330291463 /nfs/dbraw/zinc/29/14/63/1330291463.db2.gz HNZDSADDWQTGTN-JKOFNFNQSA-N 1 3 346.302 2.418 10 0 EEAEHO COc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001491965709 1330360900 /nfs/dbraw/zinc/36/09/00/1330360900.db2.gz RXDIPTMBXXQSOK-SFHVURJKSA-N 1 3 347.503 2.458 10 0 EEAEHO COc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001491965709 1330360904 /nfs/dbraw/zinc/36/09/04/1330360904.db2.gz RXDIPTMBXXQSOK-SFHVURJKSA-N 1 3 347.503 2.458 10 0 EEAEHO C[N@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CC1CC(F)(F)C1 ZINC001492422995 1331236244 /nfs/dbraw/zinc/23/62/44/1331236244.db2.gz KRRVINMETPIYLC-INIZCTEOSA-N 1 3 349.441 2.292 10 0 EEAEHO C[N@@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CC1CC(F)(F)C1 ZINC001492422995 1331236247 /nfs/dbraw/zinc/23/62/47/1331236247.db2.gz KRRVINMETPIYLC-INIZCTEOSA-N 1 3 349.441 2.292 10 0 EEAEHO Cc1ccncc1CN(C)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001316858645 1331628978 /nfs/dbraw/zinc/62/89/78/1331628978.db2.gz XPALDONVBNMGAR-UHFFFAOYSA-N 1 3 346.519 2.449 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCCCCF)CC[C@@H]2C1 ZINC001316758400 1331875889 /nfs/dbraw/zinc/87/58/89/1331875889.db2.gz BMSHKQYBWLPXFY-SJORKVTESA-N 1 3 327.488 2.248 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCCCCF)CC[C@@H]2C1 ZINC001316758400 1331875897 /nfs/dbraw/zinc/87/58/97/1331875897.db2.gz BMSHKQYBWLPXFY-SJORKVTESA-N 1 3 327.488 2.248 10 0 EEAEHO CC(C)OCCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001317069935 1332068777 /nfs/dbraw/zinc/06/87/77/1332068777.db2.gz UVXAVHUNVXYJNI-IBGZPJMESA-N 1 3 347.503 2.367 10 0 EEAEHO Cc1ncc(CN2CCC[C@@H]2CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001317433550 1332237268 /nfs/dbraw/zinc/23/72/68/1332237268.db2.gz FSOUGUHGVOVCNR-SJORKVTESA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncc(CN2CCC[C@@H]2CCCNC(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001317433550 1332237270 /nfs/dbraw/zinc/23/72/70/1332237270.db2.gz FSOUGUHGVOVCNR-SJORKVTESA-N 1 3 348.491 2.186 10 0 EEAEHO CCCOc1cccc(C[NH2+]CCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001317573687 1332304028 /nfs/dbraw/zinc/30/40/28/1332304028.db2.gz REDHLZDEPAPACN-GOSISDBHSA-N 1 3 333.476 2.118 10 0 EEAEHO CC(C)(C(=O)NCC1C[NH+](CCCCCF)C1)N1CCCCC1 ZINC001318122341 1332475162 /nfs/dbraw/zinc/47/51/62/1332475162.db2.gz OUOHAUPGINEXFY-UHFFFAOYSA-N 1 3 327.488 2.439 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2cccnc2)C1)N(C)C ZINC001318805733 1332601987 /nfs/dbraw/zinc/60/19/87/1332601987.db2.gz PCQWWDHPMSLMHT-SJLPKXTDSA-N 1 3 332.492 2.140 10 0 EEAEHO CCc1nocc1C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001318874820 1332615629 /nfs/dbraw/zinc/61/56/29/1332615629.db2.gz MBGRKBROBQXHHE-SFHVURJKSA-N 1 3 348.491 2.050 10 0 EEAEHO Cc1ncsc1CNC/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001321416236 1333098799 /nfs/dbraw/zinc/09/87/99/1333098799.db2.gz HKOJLEHANAMTPR-UUSXEQNQSA-N 1 3 336.505 2.086 10 0 EEAEHO CCn1ccc(CNCCCN(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001322724375 1333314262 /nfs/dbraw/zinc/31/42/62/1333314262.db2.gz PUMOSCFRPZCJPF-GOSISDBHSA-N 1 3 349.523 2.104 10 0 EEAEHO CCn1ccc(CNCCCN(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)n1 ZINC001322724375 1333314266 /nfs/dbraw/zinc/31/42/66/1333314266.db2.gz PUMOSCFRPZCJPF-GOSISDBHSA-N 1 3 349.523 2.104 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCCOC(C)C)C2)C1)N(C)C ZINC001323874333 1333564951 /nfs/dbraw/zinc/56/49/51/1333564951.db2.gz TXZFIWIVRPKFJZ-MJGOQNOKSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CCCOC(C)C)C2)C1)N(C)C ZINC001323874333 1333564953 /nfs/dbraw/zinc/56/49/53/1333564953.db2.gz TXZFIWIVRPKFJZ-MJGOQNOKSA-N 1 3 339.524 2.066 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@@H](CC[NH2+]CCc3ccccc3)C2)C1 ZINC001326362810 1334076505 /nfs/dbraw/zinc/07/65/05/1334076505.db2.gz CTLPLBVSHJVZOI-AZUAARDMSA-N 1 3 343.515 2.399 10 0 EEAEHO CC(C)OCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC001332405551 1335818967 /nfs/dbraw/zinc/81/89/67/1335818967.db2.gz TZDFLZIWNKXVHR-MRXNPFEDSA-N 1 3 339.524 2.112 10 0 EEAEHO C[N@@H+]1CCC[C@@H](N2CCN(CC3([C@H]4CCCCO4)CCC3)CC2)C1 ZINC001413968972 1338752844 /nfs/dbraw/zinc/75/28/44/1338752844.db2.gz XFYQKBGPPKKGGT-RTBURBONSA-N 1 3 335.536 2.438 10 0 EEAEHO C[N@H+]1CCC[C@@H](N2CCN(CC3([C@H]4CCCCO4)CCC3)CC2)C1 ZINC001413968972 1338752847 /nfs/dbraw/zinc/75/28/47/1338752847.db2.gz XFYQKBGPPKKGGT-RTBURBONSA-N 1 3 335.536 2.438 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CC/C=C\c2ccccc2)C1 ZINC001499119842 1342108075 /nfs/dbraw/zinc/10/80/75/1342108075.db2.gz IPDRVQGRSORUSN-KHMSUIGKSA-N 1 3 327.472 2.232 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CC/C=C\c2ccccc2)C1 ZINC001499119842 1342108077 /nfs/dbraw/zinc/10/80/77/1342108077.db2.gz IPDRVQGRSORUSN-KHMSUIGKSA-N 1 3 327.472 2.232 10 0 EEAEHO CCOCC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001566893814 1342647750 /nfs/dbraw/zinc/64/77/50/1342647750.db2.gz PJJLMDFMBVNRCN-QGZVFWFLSA-N 1 3 339.524 2.116 10 0 EEAEHO COCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001570183388 1343029014 /nfs/dbraw/zinc/02/90/14/1343029014.db2.gz JLEXNYAAPOXNKV-ZWKOTPCHSA-N 1 3 339.524 2.258 10 0 EEAEHO COCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001570183388 1343029019 /nfs/dbraw/zinc/02/90/19/1343029019.db2.gz JLEXNYAAPOXNKV-ZWKOTPCHSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@@H]1[C@@H]([NH2+]CCCCCF)CCN1C(=O)CN1CCC(C)CC1 ZINC001571464592 1343213816 /nfs/dbraw/zinc/21/38/16/1343213816.db2.gz OHMFFVIWTHTPKN-SJORKVTESA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)OCC[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C ZINC001571625646 1343254949 /nfs/dbraw/zinc/25/49/49/1343254949.db2.gz IOHJBHRMMXWMAW-OAHLLOKOSA-N 1 3 327.513 2.016 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH2+]CCOC2CCC2)C1 ZINC001656908379 1354298286 /nfs/dbraw/zinc/29/82/86/1354298286.db2.gz GAPOZSFVHJXWKL-KRWDZBQOSA-N 1 3 339.524 2.257 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCOC ZINC001661530476 1354650568 /nfs/dbraw/zinc/65/05/68/1354650568.db2.gz RSAXHPCLMGUJEU-FBVQUNGASA-N 1 3 337.508 2.009 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCOC ZINC001661530476 1354650571 /nfs/dbraw/zinc/65/05/71/1354650571.db2.gz RSAXHPCLMGUJEU-FBVQUNGASA-N 1 3 337.508 2.009 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH2+]CCCc1ccccc1C ZINC001662398490 1354790872 /nfs/dbraw/zinc/79/08/72/1354790872.db2.gz CIDSIIHKFHRHTH-HNNXBMFYSA-N 1 3 328.460 2.296 10 0 EEAEHO CC(C)COCCN1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001665642606 1355345920 /nfs/dbraw/zinc/34/59/20/1355345920.db2.gz WZSOYGUKHGVSEB-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)COCCN1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001665642606 1355345924 /nfs/dbraw/zinc/34/59/24/1355345924.db2.gz WZSOYGUKHGVSEB-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@](C)(C[NH2+]CC[C@@H]1CCCCO1)C1CC1 ZINC001666037872 1355430002 /nfs/dbraw/zinc/43/00/02/1355430002.db2.gz NVLHBXGRGHMTTB-LPHOPBHVSA-N 1 3 348.491 2.094 10 0 EEAEHO CC[C@H](F)CNC/C=C/CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001669040176 1356075373 /nfs/dbraw/zinc/07/53/73/1356075373.db2.gz USHCKNHXYNYOKN-MFTLYIETSA-N 1 3 331.451 2.209 10 0 EEAEHO CC[C@H](F)CNC/C=C/CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001669040176 1356075381 /nfs/dbraw/zinc/07/53/81/1356075381.db2.gz USHCKNHXYNYOKN-MFTLYIETSA-N 1 3 331.451 2.209 10 0 EEAEHO CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccc2ncccc2c1)N(C)C ZINC001669146839 1356107463 /nfs/dbraw/zinc/10/74/63/1356107463.db2.gz YCZLHJQDBGHZTI-SFFCAUCYSA-N 1 3 340.471 2.337 10 0 EEAEHO CN(CC(=O)N(C)CCC[NH2+]Cc1ccc(F)cn1)CC(C)(C)C ZINC001670248783 1356303414 /nfs/dbraw/zinc/30/34/14/1356303414.db2.gz GXKUFOVETTUHSE-UHFFFAOYSA-N 1 3 338.471 2.137 10 0 EEAEHO CC(C)[NH+]1CCC(C(=O)NC2(CNCCF)CCCCC2)CC1 ZINC001675204575 1356944910 /nfs/dbraw/zinc/94/49/10/1356944910.db2.gz LPXOAVXCPLMYKJ-UHFFFAOYSA-N 1 3 327.488 2.485 10 0 EEAEHO Cc1ccncc1C[NH2+]CCC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001675972949 1357079888 /nfs/dbraw/zinc/07/98/88/1357079888.db2.gz CJPACFBMLNCOIV-NVXWUHKLSA-N 1 3 332.492 2.106 10 0 EEAEHO Cc1ccc(C)c(OCC[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)c1 ZINC001698860144 1405116683 /nfs/dbraw/zinc/11/66/83/1405116683.db2.gz MQBDAAHNQWIRJR-GOSISDBHSA-N 1 3 347.503 2.215 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCC(F)(F)CC1 ZINC001699295489 1405326473 /nfs/dbraw/zinc/32/64/73/1405326473.db2.gz DQETWUKOUDFVCS-MPNWYJEXSA-N 1 3 329.435 2.168 10 0 EEAEHO CC(C)COCCN1CC[C@](C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001699820348 1405508924 /nfs/dbraw/zinc/50/89/24/1405508924.db2.gz YJVSSQSDSHAODF-HKUYNNGSSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)COCCN1CC[C@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001699820348 1405508929 /nfs/dbraw/zinc/50/89/29/1405508929.db2.gz YJVSSQSDSHAODF-HKUYNNGSSA-N 1 3 339.524 2.114 10 0 EEAEHO CN(CCOc1ccc(C(F)(F)F)cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923375641 789457958 /nfs/dbraw/zinc/45/79/58/789457958.db2.gz CWKDAMBCUKKUPU-OAHLLOKOSA-N 1 3 344.377 2.395 10 0 EEAEHO CCCOc1ccc(CNC(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923497652 789672399 /nfs/dbraw/zinc/67/23/99/789672399.db2.gz ICNXTCBKSSRPHB-DOTOQJQBSA-N 1 3 333.476 2.008 10 0 EEAEHO CC(C)OCc1ccccc1CNC(=O)CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923501476 789686271 /nfs/dbraw/zinc/68/62/71/789686271.db2.gz UTOZNTPMJZGRLX-DLBZAZTESA-N 1 3 347.503 2.145 10 0 EEAEHO C[C@@H](CN1CCOCC1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716677585 796406028 /nfs/dbraw/zinc/40/60/28/796406028.db2.gz GNSAQHPAPTYBCX-VMXMFDLUSA-N 1 3 343.515 2.350 10 0 EEAEHO C[C@@H](CN1CCOCC1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716677585 796406029 /nfs/dbraw/zinc/40/60/29/796406029.db2.gz GNSAQHPAPTYBCX-VMXMFDLUSA-N 1 3 343.515 2.350 10 0 EEAEHO C[C@@H](CN1CCOCC1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716677585 796406031 /nfs/dbraw/zinc/40/60/31/796406031.db2.gz GNSAQHPAPTYBCX-VMXMFDLUSA-N 1 3 343.515 2.350 10 0 EEAEHO C[C@@H]([NH2+]CCOCC1CCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001566532873 1125702731 /nfs/dbraw/zinc/70/27/31/1125702731.db2.gz JEJUIPQCAWKQHF-QAPCUYQASA-N 1 3 348.491 2.128 10 0 EEAEHO CCc1nocc1CN[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001436781073 1088329946 /nfs/dbraw/zinc/32/99/46/1088329946.db2.gz BAZLGHDJEOYRDU-MSOLQXFVSA-N 1 3 348.491 2.094 10 0 EEAEHO CCc1nocc1CN[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001436781073 1088329958 /nfs/dbraw/zinc/32/99/58/1088329958.db2.gz BAZLGHDJEOYRDU-MSOLQXFVSA-N 1 3 348.491 2.094 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H]([NH2+][C@@H]1CCc2ccccc21)C1CC1 ZINC001436829137 1088437282 /nfs/dbraw/zinc/43/72/82/1088437282.db2.gz CDAGCUSFXTYOJZ-MOPGFXCFSA-N 1 3 329.488 2.499 10 0 EEAEHO Cc1ncc(CNC[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)o1 ZINC001437041009 1088902721 /nfs/dbraw/zinc/90/27/21/1088902721.db2.gz ZJIPFHBUSPARQX-KRWDZBQOSA-N 1 3 348.491 2.187 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001437263594 1089410877 /nfs/dbraw/zinc/41/08/77/1089410877.db2.gz SKAJVADXHYTKBD-GUYCJALGSA-N 1 3 339.430 2.434 10 0 EEAEHO Cc1ccc(F)cc1C[NH2+][C@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001437404081 1089677880 /nfs/dbraw/zinc/67/78/80/1089677880.db2.gz RABUKJRYACMTKY-GOEBONIOSA-N 1 3 335.467 2.460 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([C@@H](C)[NH2+]C[C@H]2CCCCO2)CC1 ZINC001437858115 1090438413 /nfs/dbraw/zinc/43/84/13/1090438413.db2.gz RROXGCDVQYEQJN-SJLPKXTDSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1oncc1CN1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001437919095 1090506194 /nfs/dbraw/zinc/50/61/94/1090506194.db2.gz PTILYBCAVAMJSX-FUHWJXTLSA-N 1 3 348.491 2.184 10 0 EEAEHO Cc1oncc1CN1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001437919095 1090506197 /nfs/dbraw/zinc/50/61/97/1090506197.db2.gz PTILYBCAVAMJSX-FUHWJXTLSA-N 1 3 348.491 2.184 10 0 EEAEHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(OC)cc1 ZINC001438342520 1090819216 /nfs/dbraw/zinc/81/92/16/1090819216.db2.gz WKIQPRFJZRTAAE-RDJZCZTQSA-N 1 3 333.476 2.021 10 0 EEAEHO CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)NCc1ccns1 ZINC001438344325 1090821969 /nfs/dbraw/zinc/82/19/69/1090821969.db2.gz PCLKJOVIKBJTNO-LSDHHAIUSA-N 1 3 338.521 2.392 10 0 EEAEHO C[C@H](C[NH2+]Cc1ccccc1N(C)C)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001438678106 1091173085 /nfs/dbraw/zinc/17/30/85/1091173085.db2.gz DIESQTJHVKEINX-IAGOWNOFSA-N 1 3 346.519 2.031 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)CNCc1cccnc1)[NH+]1CCCC1 ZINC001438709402 1091224395 /nfs/dbraw/zinc/22/43/95/1091224395.db2.gz AASAEWHEDIUWPQ-WMZOPIPTSA-N 1 3 332.492 2.139 10 0 EEAEHO Cc1cccnc1CNC[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001438710966 1091225554 /nfs/dbraw/zinc/22/55/54/1091225554.db2.gz GFXMGKZKCZBPPO-PKOBYXMFSA-N 1 3 346.519 2.447 10 0 EEAEHO C[C@@H](CNCc1ccccn1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001445558456 1091333917 /nfs/dbraw/zinc/33/39/17/1091333917.db2.gz SNYIHBSJWKRVSV-MAUKXSAKSA-N 1 3 330.476 2.083 10 0 EEAEHO C[C@@H](CNCc1ccccn1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001445558456 1091333927 /nfs/dbraw/zinc/33/39/27/1091333927.db2.gz SNYIHBSJWKRVSV-MAUKXSAKSA-N 1 3 330.476 2.083 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cncs2)C1 ZINC001438775276 1091364682 /nfs/dbraw/zinc/36/46/82/1091364682.db2.gz UYBUZNLBBNHRLL-GJZGRUSLSA-N 1 3 338.521 2.200 10 0 EEAEHO C[C@H](CN(C)CCc1c(F)cccc1Cl)NC(=O)CC[NH+](C)C ZINC001439367811 1092095946 /nfs/dbraw/zinc/09/59/46/1092095946.db2.gz VSFMXLFYLDFMIH-CYBMUJFWSA-N 1 3 343.874 2.410 10 0 EEAEHO Cc1ccc(CCCN2CC[C@H]2CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001446132617 1092181622 /nfs/dbraw/zinc/18/16/22/1092181622.db2.gz ZRVWEAWMGVFLMA-UXHICEINSA-N 1 3 343.515 2.460 10 0 EEAEHO Cc1ccc(CCCN2CC[C@H]2CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001446132617 1092181625 /nfs/dbraw/zinc/18/16/25/1092181625.db2.gz ZRVWEAWMGVFLMA-UXHICEINSA-N 1 3 343.515 2.460 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]C[C@H]1CCC(F)(F)C1)C1CC1 ZINC001439487947 1092300754 /nfs/dbraw/zinc/30/07/54/1092300754.db2.gz IVGPNYLRRFACSZ-SWLSCSKDSA-N 1 3 340.418 2.180 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC2CC(F)(F)C2)C1 ZINC001440123862 1093184712 /nfs/dbraw/zinc/18/47/12/1093184712.db2.gz NHILLOVLWLFJEV-ZFWWWQNUSA-N 1 3 331.451 2.199 10 0 EEAEHO Cc1ccc(OCCN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001440927138 1094180569 /nfs/dbraw/zinc/18/05/69/1094180569.db2.gz QAGFOXFFKFMOAO-ZHALLVOQSA-N 1 3 347.503 2.151 10 0 EEAEHO Cc1ccc(OCCN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001440927138 1094180572 /nfs/dbraw/zinc/18/05/72/1094180572.db2.gz QAGFOXFFKFMOAO-ZHALLVOQSA-N 1 3 347.503 2.151 10 0 EEAEHO CC[C@H](C(=O)N1CCC([N@H+](C)C[C@H](OC)C2CCC2)CC1)N(C)C ZINC001441386144 1094934954 /nfs/dbraw/zinc/93/49/54/1094934954.db2.gz WTHZSRIDNJITDS-MSOLQXFVSA-N 1 3 339.524 2.065 10 0 EEAEHO CC[C@H](C(=O)N1CCC([N@@H+](C)C[C@H](OC)C2CCC2)CC1)N(C)C ZINC001441386144 1094934963 /nfs/dbraw/zinc/93/49/63/1094934963.db2.gz WTHZSRIDNJITDS-MSOLQXFVSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCc1cccnc1 ZINC001441544282 1095266874 /nfs/dbraw/zinc/26/68/74/1095266874.db2.gz HKLYCRBQRYVNNQ-WMZOPIPTSA-N 1 3 332.492 2.139 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCc1cccnc1 ZINC001441544282 1095266881 /nfs/dbraw/zinc/26/68/81/1095266881.db2.gz HKLYCRBQRYVNNQ-WMZOPIPTSA-N 1 3 332.492 2.139 10 0 EEAEHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCN2C(C)C)c(C)n1 ZINC001441846745 1095928938 /nfs/dbraw/zinc/92/89/38/1095928938.db2.gz JDYJTOZQEAYXGV-MAUKXSAKSA-N 1 3 332.492 2.166 10 0 EEAEHO COc1ccc(CN(C)CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)cc1 ZINC001442550571 1096913422 /nfs/dbraw/zinc/91/34/22/1096913422.db2.gz CVPGRQTXNBVTFE-PKOBYXMFSA-N 1 3 345.487 2.260 10 0 EEAEHO COc1ccc(CN(C)CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)cc1 ZINC001442550571 1096913427 /nfs/dbraw/zinc/91/34/27/1096913427.db2.gz CVPGRQTXNBVTFE-PKOBYXMFSA-N 1 3 345.487 2.260 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCC2C[NH+]([C@@H]3CCc4ccccc43)C2)C1 ZINC001443609798 1098105103 /nfs/dbraw/zinc/10/51/03/1098105103.db2.gz CMYSBDUJNKDGOX-HNAYVOBHSA-N 1 3 327.472 2.064 10 0 EEAEHO CN(C(=O)CC[NH+](C)C)[C@H]1CCN(CCOC2CCCCCC2)C1 ZINC001443827363 1098331370 /nfs/dbraw/zinc/33/13/70/1098331370.db2.gz ZLCXVRZDVHKEMV-KRWDZBQOSA-N 1 3 339.524 2.210 10 0 EEAEHO CN(C(=O)NC[C@H]1CCCCN1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001479490575 1098562980 /nfs/dbraw/zinc/56/29/80/1098562980.db2.gz KURRHQYGCSEASA-RTBURBONSA-N 1 3 344.503 2.387 10 0 EEAEHO CN(C(=O)NC[C@H]1CCCCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001479490575 1098562993 /nfs/dbraw/zinc/56/29/93/1098562993.db2.gz KURRHQYGCSEASA-RTBURBONSA-N 1 3 344.503 2.387 10 0 EEAEHO CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001479624369 1098648409 /nfs/dbraw/zinc/64/84/09/1098648409.db2.gz NVFILPGADIWTBC-QZTJIDSGSA-N 1 3 329.488 2.322 10 0 EEAEHO C[C@H](NCc1cncc(F)c1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479828520 1099108729 /nfs/dbraw/zinc/10/87/29/1099108729.db2.gz BEHRBYGEYLZDKY-WMLDXEAASA-N 1 3 336.455 2.032 10 0 EEAEHO CO[C@H](C[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCCC1)C1CCC1 ZINC001444530379 1099297607 /nfs/dbraw/zinc/29/76/07/1099297607.db2.gz CFSCFRREIVJZQQ-QGZVFWFLSA-N 1 3 348.491 2.094 10 0 EEAEHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001480216790 1099830644 /nfs/dbraw/zinc/83/06/44/1099830644.db2.gz VQVNFGLWRRBIQO-CALCHBBNSA-N 1 3 348.491 2.374 10 0 EEAEHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001480216790 1099830647 /nfs/dbraw/zinc/83/06/47/1099830647.db2.gz VQVNFGLWRRBIQO-CALCHBBNSA-N 1 3 348.491 2.374 10 0 EEAEHO C[C@H](CNCc1ccc(Cl)s1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445363045 1100599429 /nfs/dbraw/zinc/59/94/29/1100599429.db2.gz MHCKRAXCRLLAMU-NQBHXWOUSA-N 1 3 329.897 2.336 10 0 EEAEHO C[C@H](CNCc1ccc(Cl)s1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001445363045 1100599436 /nfs/dbraw/zinc/59/94/36/1100599436.db2.gz MHCKRAXCRLLAMU-NQBHXWOUSA-N 1 3 329.897 2.336 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC2CC(F)(F)C2)C1)N(C)C ZINC001446581476 1101071034 /nfs/dbraw/zinc/07/10/34/1101071034.db2.gz XSYZECQMYUVWAE-ZBFHGGJFSA-N 1 3 331.451 2.200 10 0 EEAEHO CC[C@@H](F)CN1CCC(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001495517171 1101230629 /nfs/dbraw/zinc/23/06/29/1101230629.db2.gz JERAZYRROYCGHX-QZTJIDSGSA-N 1 3 339.499 2.295 10 0 EEAEHO Cc1cccc(C[NH2+]C2(CNC(=O)CN(C)C(C)C)CCOCC2)c1 ZINC001446716301 1101285273 /nfs/dbraw/zinc/28/52/73/1101285273.db2.gz IODALCARUSKTID-UHFFFAOYSA-N 1 3 347.503 2.090 10 0 EEAEHO CC(C)OCCN1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001447166326 1102119797 /nfs/dbraw/zinc/11/97/97/1102119797.db2.gz PANGGPDSCFMQCC-QZTJIDSGSA-N 1 3 349.519 2.105 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccncc1Cl)N(C)C ZINC001497307011 1102289449 /nfs/dbraw/zinc/28/94/49/1102289449.db2.gz DZXFTUXNGXNLDT-WFASDCNBSA-N 1 3 326.872 2.060 10 0 EEAEHO Cc1cncc(CNC2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC2)c1 ZINC001447250164 1102295897 /nfs/dbraw/zinc/29/58/97/1102295897.db2.gz WZUMVHRHQSVSCW-WMZOPIPTSA-N 1 3 344.503 2.249 10 0 EEAEHO Cc1cncc(CNC2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC2)c1 ZINC001447250164 1102295903 /nfs/dbraw/zinc/29/59/03/1102295903.db2.gz WZUMVHRHQSVSCW-WMZOPIPTSA-N 1 3 344.503 2.249 10 0 EEAEHO CCN(CC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)[C@@H](C(C)C)N(C)C ZINC001497486796 1102566160 /nfs/dbraw/zinc/56/61/60/1102566160.db2.gz UGKXNXWGJIXBIZ-HUUCEWRRSA-N 1 3 333.467 2.446 10 0 EEAEHO CCC1([NH2+]Cc2cccnc2)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001447410064 1102606387 /nfs/dbraw/zinc/60/63/87/1102606387.db2.gz CLOQUPYQUZVACM-QGZVFWFLSA-N 1 3 330.476 2.037 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001497622175 1102764347 /nfs/dbraw/zinc/76/43/47/1102764347.db2.gz WIZOWEXZPLZLNG-PHWHVTFISA-N 1 3 344.503 2.272 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001497622175 1102764359 /nfs/dbraw/zinc/76/43/59/1102764359.db2.gz WIZOWEXZPLZLNG-PHWHVTFISA-N 1 3 344.503 2.272 10 0 EEAEHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]Cc1cncs1 ZINC001447537799 1102809013 /nfs/dbraw/zinc/80/90/13/1102809013.db2.gz HAUDUEJSDDVFRC-ZFWWWQNUSA-N 1 3 338.521 2.058 10 0 EEAEHO Cc1ccccc1OCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001497816182 1103142454 /nfs/dbraw/zinc/14/24/54/1103142454.db2.gz LVVFJFSBOQPXRW-MSOLQXFVSA-N 1 3 347.503 2.341 10 0 EEAEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@@H](C)[NH2+]CCc1ccns1 ZINC001447881305 1103507175 /nfs/dbraw/zinc/50/71/75/1103507175.db2.gz HDRKQZGHFUZLQH-ZIAGYGMSSA-N 1 3 338.521 2.043 10 0 EEAEHO COC[C@@H](C)N1CCC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001493118903 1107532709 /nfs/dbraw/zinc/53/27/09/1107532709.db2.gz IFNRVCFADWOLJJ-NVXWUHKLSA-N 1 3 339.524 2.255 10 0 EEAEHO COC[C@@H](C)N1CCC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001493118903 1107532724 /nfs/dbraw/zinc/53/27/24/1107532724.db2.gz IFNRVCFADWOLJJ-NVXWUHKLSA-N 1 3 339.524 2.255 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1nccs1 ZINC001498502913 1107643672 /nfs/dbraw/zinc/64/36/72/1107643672.db2.gz HXWDJZVYIPGHIA-HUUCEWRRSA-N 1 3 338.521 2.248 10 0 EEAEHO O=C(NCCN(CCOC1CCC1)C1CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001493429252 1108142779 /nfs/dbraw/zinc/14/27/79/1108142779.db2.gz HQJUTHLCXGVZEQ-PKOBYXMFSA-N 1 3 349.519 2.153 10 0 EEAEHO O=C(NCCN(CCOC1CCC1)C1CC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001493429252 1108142782 /nfs/dbraw/zinc/14/27/82/1108142782.db2.gz HQJUTHLCXGVZEQ-PKOBYXMFSA-N 1 3 349.519 2.153 10 0 EEAEHO Cc1ccc(CNCCN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)c(C)n1 ZINC001493589407 1108365091 /nfs/dbraw/zinc/36/50/91/1108365091.db2.gz GFGBWXIUJSVLRR-OALUTQOASA-N 1 3 344.503 2.263 10 0 EEAEHO Cc1ccc(CNCCN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)c(C)n1 ZINC001493589407 1108365105 /nfs/dbraw/zinc/36/51/05/1108365105.db2.gz GFGBWXIUJSVLRR-OALUTQOASA-N 1 3 344.503 2.263 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cccc(OC)c1 ZINC001493806872 1108687853 /nfs/dbraw/zinc/68/78/53/1108687853.db2.gz RBKOCTYWAHTADP-SFHVURJKSA-N 1 3 333.476 2.118 10 0 EEAEHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001503646038 1113894155 /nfs/dbraw/zinc/89/41/55/1113894155.db2.gz WGLPIOXFFORRCN-ZDUSSCGKSA-N 1 3 326.872 2.060 10 0 EEAEHO CCCC[C@@H](CNCc1cccnc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001506546870 1114689309 /nfs/dbraw/zinc/68/93/09/1114689309.db2.gz ZQALEANLYKQBRL-BPQIPLTHSA-N 1 3 332.492 2.186 10 0 EEAEHO CCCC[C@@H](CNCc1cccnc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001506546870 1114689311 /nfs/dbraw/zinc/68/93/11/1114689311.db2.gz ZQALEANLYKQBRL-BPQIPLTHSA-N 1 3 332.492 2.186 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)C2)CCC1 ZINC001506886641 1114951117 /nfs/dbraw/zinc/95/11/17/1114951117.db2.gz ODDAMYCGMLSZSS-UYTYNIKBSA-N 1 3 333.520 2.391 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(F)c3)C2)CCC1 ZINC001506886834 1114951135 /nfs/dbraw/zinc/95/11/35/1114951135.db2.gz ROOSEHAVUKRQQK-JCNLHEQBSA-N 1 3 333.451 2.294 10 0 EEAEHO Cc1noc(C)c1C[NH2+]CCC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001506938085 1114987859 /nfs/dbraw/zinc/98/78/59/1114987859.db2.gz KWBCGGRCBNIOCI-KGLIPLIRSA-N 1 3 336.480 2.008 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001507161419 1115141490 /nfs/dbraw/zinc/14/14/90/1115141490.db2.gz JYHMLOYIDFPAGO-CYBMUJFWSA-N 1 3 326.872 2.012 10 0 EEAEHO C[C@H]1[C@H](NCc2cccnc2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001507299314 1115180600 /nfs/dbraw/zinc/18/06/00/1115180600.db2.gz VDXMNDGFDZEQTM-PKOBYXMFSA-N 1 3 344.503 2.427 10 0 EEAEHO C[C@H](NC(=O)CCC[NH+](C)C)C1CCN(Cc2ccccn2)CC1 ZINC001508083697 1115415651 /nfs/dbraw/zinc/41/56/51/1115415651.db2.gz ZUBFUHWHDVGRJV-INIZCTEOSA-N 1 3 332.492 2.140 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CC2CCC2)C1 ZINC001508087627 1115416821 /nfs/dbraw/zinc/41/68/21/1115416821.db2.gz QKZZVPJEXKNZMF-LSDHHAIUSA-N 1 3 349.441 2.496 10 0 EEAEHO COCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001567922081 1124181691 /nfs/dbraw/zinc/18/16/91/1124181691.db2.gz LTEAZSATVDXOEC-QZTJIDSGSA-N 1 3 339.524 2.210 10 0 EEAEHO COCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001567922081 1124181693 /nfs/dbraw/zinc/18/16/93/1124181693.db2.gz LTEAZSATVDXOEC-QZTJIDSGSA-N 1 3 339.524 2.210 10 0 EEAEHO O=C(NCc1ccc(CNC/C=C\Cl)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001568118460 1124311925 /nfs/dbraw/zinc/31/19/25/1124311925.db2.gz TZURLUJRQHXVED-PWYIEZDJSA-N 1 3 347.890 2.487 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001568176235 1124340897 /nfs/dbraw/zinc/34/08/97/1124340897.db2.gz RKEWTRMDDSUJRW-KRWDZBQOSA-N 1 3 331.504 2.364 10 0 EEAEHO Cc1ncccc1CNC/C=C/CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001568949871 1124983003 /nfs/dbraw/zinc/98/30/03/1124983003.db2.gz GMFZXLFJUTXTCQ-MSIWKICXSA-N 1 3 344.503 2.272 10 0 EEAEHO CC(C)CN1CCN([C@@H](C[NH3+])c2ccc(Br)o2)CC1 ZINC000055078579 214271326 /nfs/dbraw/zinc/27/13/26/214271326.db2.gz SRIOIOOKKRMNCZ-LBPRGKRZSA-N 1 3 330.270 2.316 10 0 EEAEHO CN(Cc1cccc(C[N@H+](C)CC2(CO)CC2)c1)CC1(CO)CC1 ZINC000186784766 529993651 /nfs/dbraw/zinc/99/36/51/529993651.db2.gz MVBVAPOCSAMKPU-UHFFFAOYSA-N 1 3 332.488 2.095 10 0 EEAEHO CN(Cc1cccc(C[N@@H+](C)CC2(CO)CC2)c1)CC1(CO)CC1 ZINC000186784766 529993653 /nfs/dbraw/zinc/99/36/53/529993653.db2.gz MVBVAPOCSAMKPU-UHFFFAOYSA-N 1 3 332.488 2.095 10 0 EEAEHO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3CN)C2)c1 ZINC000422879596 240272226 /nfs/dbraw/zinc/27/22/26/240272226.db2.gz VPKAERQLBBWDLD-SPYBWZPUSA-N 1 3 333.476 2.247 10 0 EEAEHO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000425365436 241140688 /nfs/dbraw/zinc/14/06/88/241140688.db2.gz YIHBLBSYKHEKNW-ZWKOTPCHSA-N 1 3 347.528 2.496 10 0 EEAEHO CCOC(=O)C1([C@@H](C)N[C@H](COC)c2ccccc2)CC[NH2+]CC1 ZINC000422957963 285664288 /nfs/dbraw/zinc/66/42/88/285664288.db2.gz WIAODMXUWVUQNY-NVXWUHKLSA-N 1 3 334.460 2.285 10 0 EEAEHO C[C@@H]1CN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cn2)C[C@@H](C)O1 ZINC000248884461 160366616 /nfs/dbraw/zinc/36/66/16/160366616.db2.gz LSCLONDHSDAIFW-ZLTBNTPESA-N 1 3 344.503 2.410 10 0 EEAEHO CC(C)N1CCN(CCC[NH2+][C@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000192804702 160174250 /nfs/dbraw/zinc/17/42/50/160174250.db2.gz RHSGCFIXVNZZEI-RBUKOAKNSA-N 1 3 333.524 2.373 10 0 EEAEHO CC(C)N1C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000271460163 274132149 /nfs/dbraw/zinc/13/21/49/274132149.db2.gz HKFVAVBVRLXHPH-NZSAHSFTSA-N 1 3 329.488 2.496 10 0 EEAEHO CC(C)N1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000271460163 274132153 /nfs/dbraw/zinc/13/21/53/274132153.db2.gz HKFVAVBVRLXHPH-NZSAHSFTSA-N 1 3 329.488 2.496 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC(=O)N(C2CC2)C1 ZINC000271535079 274139753 /nfs/dbraw/zinc/13/97/53/274139753.db2.gz SNQREDCNDLRYFS-HHXXYDBFSA-N 1 3 327.472 2.250 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC(=O)N(C2CC2)C1 ZINC000271535079 274139754 /nfs/dbraw/zinc/13/97/54/274139754.db2.gz SNQREDCNDLRYFS-HHXXYDBFSA-N 1 3 327.472 2.250 10 0 EEAEHO C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000277453921 274293866 /nfs/dbraw/zinc/29/38/66/274293866.db2.gz GLWHOTNTDQFYGB-QGZVFWFLSA-N 1 3 345.487 2.374 10 0 EEAEHO C[NH+](C)CCOc1ccccc1N1CCN(C[C@H](O)C(C)(C)C)CC1 ZINC000289654464 275136082 /nfs/dbraw/zinc/13/60/82/275136082.db2.gz COOAYNNBJSTAQF-IBGZPJMESA-N 1 3 349.519 2.156 10 0 EEAEHO CCC[C@@]1(NCC2(C[NH2+][C@]3(CCC)CCOC3)COC2)CCOC1 ZINC000352822854 312387027 /nfs/dbraw/zinc/38/70/27/312387027.db2.gz HOMHRHCIGOPSAF-RTBURBONSA-N 1 3 340.508 2.101 10 0 EEAEHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)C1 ZINC000414764117 313080528 /nfs/dbraw/zinc/08/05/28/313080528.db2.gz NYBMLRZPSDSTEV-UONOGXRCSA-N 1 3 347.425 2.238 10 0 EEAEHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)C1 ZINC000414764117 313080533 /nfs/dbraw/zinc/08/05/33/313080533.db2.gz NYBMLRZPSDSTEV-UONOGXRCSA-N 1 3 347.425 2.238 10 0 EEAEHO CCC[NH2+]CCNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000416906823 313356659 /nfs/dbraw/zinc/35/66/59/313356659.db2.gz SYXYOXSUTQLMDQ-UHFFFAOYSA-N 1 3 332.492 2.471 10 0 EEAEHO N[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000418447652 313816336 /nfs/dbraw/zinc/81/63/36/313816336.db2.gz ITMUFLLMMPJJMY-ZWKOTPCHSA-N 1 3 330.476 2.346 10 0 EEAEHO O[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCCO1 ZINC000527950614 317291404 /nfs/dbraw/zinc/29/14/04/317291404.db2.gz AKRJBUYRXUJZJP-USYVTKNRSA-N 1 3 330.472 2.312 10 0 EEAEHO O[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCO1 ZINC000527950614 317291406 /nfs/dbraw/zinc/29/14/06/317291406.db2.gz AKRJBUYRXUJZJP-USYVTKNRSA-N 1 3 330.472 2.312 10 0 EEAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](O)[C@@H]2CCCO2)CC1 ZINC000527955782 317293146 /nfs/dbraw/zinc/29/31/46/317293146.db2.gz RZJFPHYVYMFVGY-UXPWSPDFSA-N 1 3 332.488 2.212 10 0 EEAEHO COc1ccc(OCCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239726 317703483 /nfs/dbraw/zinc/70/34/83/317703483.db2.gz UNIPQKUWAUFDOB-LJQANCHMSA-N 1 3 334.460 2.165 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)N2CCCC2)cc1 ZINC000570617683 319681150 /nfs/dbraw/zinc/68/11/50/319681150.db2.gz ILVRNTOKFIMTBO-NEWSRXKRSA-N 1 3 344.503 2.429 10 0 EEAEHO CCN1CCCC[C@H]1CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000575801471 320115341 /nfs/dbraw/zinc/11/53/41/320115341.db2.gz URQSPPLRZHMMPI-WMZOPIPTSA-N 1 3 330.476 2.129 10 0 EEAEHO CCN1CCCC[C@@H]1CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000575801470 320115454 /nfs/dbraw/zinc/11/54/54/320115454.db2.gz URQSPPLRZHMMPI-SJLPKXTDSA-N 1 3 330.476 2.129 10 0 EEAEHO CCN1CCCC[C@H]1CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000575801469 320115462 /nfs/dbraw/zinc/11/54/62/320115462.db2.gz URQSPPLRZHMMPI-FUHWJXTLSA-N 1 3 330.476 2.129 10 0 EEAEHO CCc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1OC ZINC000579085259 323771702 /nfs/dbraw/zinc/77/17/02/323771702.db2.gz HNJRCBUHQDEEJY-UHFFFAOYSA-N 1 3 336.480 2.215 10 0 EEAEHO [NH3+]C1CCC(OCC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000578885131 468274395 /nfs/dbraw/zinc/27/43/95/468274395.db2.gz GKCAYIJMSVVNPB-CTWPCTMYSA-N 1 3 345.487 2.226 10 0 EEAEHO CCNC(=O)N1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000090411705 462789996 /nfs/dbraw/zinc/78/99/96/462789996.db2.gz KQDQJZFYGAJOQN-IBGZPJMESA-N 1 3 344.503 2.087 10 0 EEAEHO CCOC(=O)CCCCCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000117881257 462814701 /nfs/dbraw/zinc/81/47/01/462814701.db2.gz NQMKCTDAHLCVHU-SFHVURJKSA-N 1 3 339.524 2.212 10 0 EEAEHO CCOC(=O)CCCCCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000117881257 462814707 /nfs/dbraw/zinc/81/47/07/462814707.db2.gz NQMKCTDAHLCVHU-SFHVURJKSA-N 1 3 339.524 2.212 10 0 EEAEHO O[C@H](COc1ccc(F)cc1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047970580 462844464 /nfs/dbraw/zinc/84/44/64/462844464.db2.gz DOVSGBPGBMDLCA-SFHVURJKSA-N 1 3 336.451 2.373 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)NC3CC[NH+](CC)CC3)cc2)CC1 ZINC000118763509 462851435 /nfs/dbraw/zinc/85/14/35/462851435.db2.gz HIVLIEMAQHPWOO-UHFFFAOYSA-N 1 3 344.503 2.043 10 0 EEAEHO C[C@@H](CNC(=O)N[C@H](CN(C)C)c1ccccc1)C[NH+]1CCCC1 ZINC000121174753 463091958 /nfs/dbraw/zinc/09/19/58/463091958.db2.gz KSLCFFWIKDXHEO-FUHWJXTLSA-N 1 3 332.492 2.320 10 0 EEAEHO Cn1ncc2c1CCC[C@H]2[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000124782369 463463368 /nfs/dbraw/zinc/46/33/68/463463368.db2.gz FQGGYJLTZVVHOX-GOSISDBHSA-N 1 3 345.535 2.337 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)N2CCCC2)cc1 ZINC000170835383 463719045 /nfs/dbraw/zinc/71/90/45/463719045.db2.gz AZUORVSRQMFUAK-MOPGFXCFSA-N 1 3 344.503 2.477 10 0 EEAEHO Cc1cc(N2CCN(CCC(=O)N(C)C)CC2)c2ccccc2[nH+]1 ZINC000268384040 463724687 /nfs/dbraw/zinc/72/46/87/463724687.db2.gz KDTJCNLUISQUCV-UHFFFAOYSA-N 1 3 326.444 2.144 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])cc2)CC1 ZINC000261827121 463871281 /nfs/dbraw/zinc/87/12/81/463871281.db2.gz OLQINNIYVIDRSI-APWZRJJASA-N 1 3 344.503 2.028 10 0 EEAEHO C[C@@H](CN1CCOCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180108521 464244121 /nfs/dbraw/zinc/24/41/21/464244121.db2.gz MPAWOJQYDKOIMT-XSLAUPDRSA-N 1 3 343.515 2.492 10 0 EEAEHO C[C@@H](CN1CCOCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180108521 464244124 /nfs/dbraw/zinc/24/41/24/464244124.db2.gz MPAWOJQYDKOIMT-XSLAUPDRSA-N 1 3 343.515 2.492 10 0 EEAEHO [NH3+][C@H]1CCC[C@H](C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000238039582 464423701 /nfs/dbraw/zinc/42/37/01/464423701.db2.gz XRUYABKTUDMZRI-HOTGVXAUSA-N 1 3 339.549 2.372 10 0 EEAEHO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCCN(C2CC2)CC1 ZINC000181064665 464440986 /nfs/dbraw/zinc/44/09/86/464440986.db2.gz FHTGPKCURNABEG-KRWDZBQOSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCCN(C2CC2)CC1 ZINC000181064665 464440994 /nfs/dbraw/zinc/44/09/94/464440994.db2.gz FHTGPKCURNABEG-KRWDZBQOSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000246353228 464573953 /nfs/dbraw/zinc/57/39/53/464573953.db2.gz PLKAYHOOXQDIPB-MHORFTMASA-N 1 3 334.508 2.009 10 0 EEAEHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000246353228 464573960 /nfs/dbraw/zinc/57/39/60/464573960.db2.gz PLKAYHOOXQDIPB-MHORFTMASA-N 1 3 334.508 2.009 10 0 EEAEHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000246353247 464574289 /nfs/dbraw/zinc/57/42/89/464574289.db2.gz PLKAYHOOXQDIPB-XMTFNYHQSA-N 1 3 334.508 2.009 10 0 EEAEHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000246353247 464574294 /nfs/dbraw/zinc/57/42/94/464574294.db2.gz PLKAYHOOXQDIPB-XMTFNYHQSA-N 1 3 334.508 2.009 10 0 EEAEHO CN(CC(=O)OC(C)(C)C)C1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000191985821 464841643 /nfs/dbraw/zinc/84/16/43/464841643.db2.gz RDLDJUQQQMGHLN-INIZCTEOSA-N 1 3 339.524 2.209 10 0 EEAEHO CN(CC(=O)OC(C)(C)C)C1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000191985821 464841649 /nfs/dbraw/zinc/84/16/49/464841649.db2.gz RDLDJUQQQMGHLN-INIZCTEOSA-N 1 3 339.524 2.209 10 0 EEAEHO CN(CC(=O)OC(C)(C)C)C1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000191985821 464841659 /nfs/dbraw/zinc/84/16/59/464841659.db2.gz RDLDJUQQQMGHLN-INIZCTEOSA-N 1 3 339.524 2.209 10 0 EEAEHO Cc1ccc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000349470855 466120735 /nfs/dbraw/zinc/12/07/35/466120735.db2.gz VBFLCYBBHFVMHE-UHFFFAOYSA-N 1 3 333.476 2.195 10 0 EEAEHO C[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)N(C)Cc1ccccc1 ZINC000417588219 466888111 /nfs/dbraw/zinc/88/81/11/466888111.db2.gz OSONSROYJKPUKK-YTQUADARSA-N 1 3 344.503 2.148 10 0 EEAEHO C[C@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000424292051 467024048 /nfs/dbraw/zinc/02/40/48/467024048.db2.gz NYQRLQWTVHMPKB-CABCVRRESA-N 1 3 333.451 2.467 10 0 EEAEHO CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c1 ZINC000377128021 467036375 /nfs/dbraw/zinc/03/63/75/467036375.db2.gz NXKQOZKHHAGTJD-GUDVDZBRSA-N 1 3 331.460 2.486 10 0 EEAEHO CC(=O)Nc1cccc(OCCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000377128021 467036378 /nfs/dbraw/zinc/03/63/78/467036378.db2.gz NXKQOZKHHAGTJD-GUDVDZBRSA-N 1 3 331.460 2.486 10 0 EEAEHO CC(=O)Nc1cccc(OCCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000377128021 467036382 /nfs/dbraw/zinc/03/63/82/467036382.db2.gz NXKQOZKHHAGTJD-GUDVDZBRSA-N 1 3 331.460 2.486 10 0 EEAEHO CN(C(=O)NC1CCC([NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418379976 467101772 /nfs/dbraw/zinc/10/17/72/467101772.db2.gz DTIRDKYQOUBRQN-ABHNRTSZSA-N 1 3 330.476 2.172 10 0 EEAEHO CN(C(=O)NCC1(C)CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418525159 467123692 /nfs/dbraw/zinc/12/36/92/467123692.db2.gz XMAXEUBQADXCRR-GOSISDBHSA-N 1 3 344.503 2.292 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)[C@H]1c1ccccc1 ZINC000425727668 467127368 /nfs/dbraw/zinc/12/73/68/467127368.db2.gz RKNKIWWBJQOOJY-INDMIFKZSA-N 1 3 342.487 2.167 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)[C@H]1c1ccccc1 ZINC000425727668 467127369 /nfs/dbraw/zinc/12/73/69/467127369.db2.gz RKNKIWWBJQOOJY-INDMIFKZSA-N 1 3 342.487 2.167 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000418564123 467129298 /nfs/dbraw/zinc/12/92/98/467129298.db2.gz WNNMWYYCQVUOET-AOIWGVFYSA-N 1 3 344.503 2.290 10 0 EEAEHO C[C@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CN1C1CC1 ZINC000397585590 467443416 /nfs/dbraw/zinc/44/34/16/467443416.db2.gz IWXALPVRJMBHFF-PKOBYXMFSA-N 1 3 343.515 2.228 10 0 EEAEHO COC1([C@H](C)[NH2+]CC2CCN(c3ccncc3)CC2)CCOCC1 ZINC000453146963 467464419 /nfs/dbraw/zinc/46/44/19/467464419.db2.gz JPRJKECXZMHMFY-INIZCTEOSA-N 1 3 333.476 2.472 10 0 EEAEHO C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)[C@H]1CCN(Cc2ccccc2)C1 ZINC000449396713 467638098 /nfs/dbraw/zinc/63/80/98/467638098.db2.gz MKDKTTMKGOPPFW-JBACZVJFSA-N 1 3 345.531 2.333 10 0 EEAEHO C[C@H](NC[C@@H]1CCCCN1CCO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449396713 467638100 /nfs/dbraw/zinc/63/81/00/467638100.db2.gz MKDKTTMKGOPPFW-JBACZVJFSA-N 1 3 345.531 2.333 10 0 EEAEHO C[C@H](NC[C@@H]1CCCCN1CCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449396713 467638104 /nfs/dbraw/zinc/63/81/04/467638104.db2.gz MKDKTTMKGOPPFW-JBACZVJFSA-N 1 3 345.531 2.333 10 0 EEAEHO CC[C@H]([NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(=O)NC ZINC000449767878 467711967 /nfs/dbraw/zinc/71/19/67/467711967.db2.gz BGBRPSDBNUYHCA-CADBVGFASA-N 1 3 329.488 2.401 10 0 EEAEHO CN1CC[C@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccccc1 ZINC000578743116 468248888 /nfs/dbraw/zinc/24/88/88/468248888.db2.gz GLVUFAAFFDCJKS-FHWLQOOXSA-N 1 3 338.455 2.431 10 0 EEAEHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000594939819 468727281 /nfs/dbraw/zinc/72/72/81/468727281.db2.gz FMDXDTYCOQKKIS-GDIGMMSISA-N 1 3 346.471 2.447 10 0 EEAEHO C[N@H+](CCCCNC(=O)Nc1ccc2c(c1)OCCNC2)C1CC1 ZINC000625939878 469442443 /nfs/dbraw/zinc/44/24/43/469442443.db2.gz UQINGVFXELIPAO-UHFFFAOYSA-N 1 3 332.448 2.165 10 0 EEAEHO C[N@@H+](CCCCNC(=O)Nc1ccc2c(c1)OCCNC2)C1CC1 ZINC000625939878 469442448 /nfs/dbraw/zinc/44/24/48/469442448.db2.gz UQINGVFXELIPAO-UHFFFAOYSA-N 1 3 332.448 2.165 10 0 EEAEHO C[C@@H](CNC(=O)Nc1ccc2c(c1)OCCNC2)C[NH+]1CCCCC1 ZINC000625944180 469444802 /nfs/dbraw/zinc/44/48/02/469444802.db2.gz OWBQFJHMKQRAJD-HNNXBMFYSA-N 1 3 346.475 2.412 10 0 EEAEHO CN(C)Cc1cccc(NC(=O)NCCC[NH2+]Cc2cccnc2)c1 ZINC000623054330 469535243 /nfs/dbraw/zinc/53/52/43/469535243.db2.gz KABQPZKSMGYYGT-UHFFFAOYSA-N 1 3 341.459 2.445 10 0 EEAEHO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCN(C)C(C)(C)C2)c1 ZINC000623398286 469642727 /nfs/dbraw/zinc/64/27/27/469642727.db2.gz BHHLUJURRIDTIT-DZGCQCFKSA-N 1 3 339.505 2.118 10 0 EEAEHO Cc1ccc2oc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc2n1 ZINC000617505873 469702938 /nfs/dbraw/zinc/70/29/38/469702938.db2.gz TUTZNLPLNUKOGM-AWEZNQCLSA-N 1 3 332.448 2.138 10 0 EEAEHO Cc1ccc2oc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc2n1 ZINC000617505873 469702944 /nfs/dbraw/zinc/70/29/44/469702944.db2.gz TUTZNLPLNUKOGM-AWEZNQCLSA-N 1 3 332.448 2.138 10 0 EEAEHO CCN(C(=O)C1CCN(c2cc[nH+]cc2C)CC1)[C@@H]1CCN(C)C1 ZINC000617555212 469725720 /nfs/dbraw/zinc/72/57/20/469725720.db2.gz RGCAASSCAYONAW-QGZVFWFLSA-N 1 3 330.476 2.159 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2CC)N(C)C)cc1 ZINC000626921896 469754344 /nfs/dbraw/zinc/75/43/44/469754344.db2.gz LUUGAAVSUOKAPR-KSZLIROESA-N 1 3 332.492 2.291 10 0 EEAEHO CC[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1CC)N1CCc2ccccc2C1 ZINC000626935044 469760965 /nfs/dbraw/zinc/76/09/65/469760965.db2.gz VRIUTZBDFDWVBL-GBESFXJTSA-N 1 3 344.503 2.263 10 0 EEAEHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627131436 469821253 /nfs/dbraw/zinc/82/12/53/469821253.db2.gz DJZGJXJDRSECCY-OAHLLOKOSA-N 1 3 336.505 2.106 10 0 EEAEHO C[C@H]1CC[C@H](NC(=O)N(CCN(C)C)Cc2ccccc2F)C[NH2+]1 ZINC000627195033 469840637 /nfs/dbraw/zinc/84/06/37/469840637.db2.gz IUNARJCDLRVRQT-HOCLYGCPSA-N 1 3 336.455 2.039 10 0 EEAEHO CC(C)(C)N1CCC([NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)CC1 ZINC000624265186 469892552 /nfs/dbraw/zinc/89/25/52/469892552.db2.gz OHEDAMFGLXNCCH-IBGZPJMESA-N 1 3 346.519 2.135 10 0 EEAEHO CC(C)(C)N1CC[C@H]1CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634649183 470274790 /nfs/dbraw/zinc/27/47/90/470274790.db2.gz ILAOJWSLVKGVGL-ICSRJNTNSA-N 1 3 331.504 2.086 10 0 EEAEHO CC(C)(C)N1CC[C@H]1CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649183 470274792 /nfs/dbraw/zinc/27/47/92/470274792.db2.gz ILAOJWSLVKGVGL-ICSRJNTNSA-N 1 3 331.504 2.086 10 0 EEAEHO C[C@@H](CC1CCC1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000632978893 470305915 /nfs/dbraw/zinc/30/59/15/470305915.db2.gz JSPCKRMJECXRJS-HNNXBMFYSA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCN(c3ccncc3)CC2)cc1 ZINC000638915318 470326468 /nfs/dbraw/zinc/32/64/68/470326468.db2.gz JALLXNVTWBAUPR-OAHLLOKOSA-N 1 3 339.443 2.133 10 0 EEAEHO C[C@H]([NH2+]C1(CNC(=O)COC2(C)CNC2)CCCC1)c1ccccc1 ZINC000649331720 470549082 /nfs/dbraw/zinc/54/90/82/470549082.db2.gz RNAYYSNREFXMGV-INIZCTEOSA-N 1 3 345.487 2.145 10 0 EEAEHO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000646192954 470560758 /nfs/dbraw/zinc/56/07/58/470560758.db2.gz RJTIGDGDIWDMPJ-PKOBYXMFSA-N 1 3 342.487 2.271 10 0 EEAEHO CC[NH+](CC)CCC[C@@H](C)NCc1ccc(S(N)(=O)=O)cc1F ZINC000647166471 470846147 /nfs/dbraw/zinc/84/61/47/470846147.db2.gz PCOYXMVDVARSPC-CYBMUJFWSA-N 1 3 345.484 2.073 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654532622 471057863 /nfs/dbraw/zinc/05/78/63/471057863.db2.gz YTLULZPRAPODPN-OQIJWPOYSA-N 1 3 344.503 2.146 10 0 EEAEHO CN(C)c1ccncc1CNCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657596968 471179437 /nfs/dbraw/zinc/17/94/37/471179437.db2.gz PTTONCFCOMJBSC-IBGZPJMESA-N 1 3 340.471 2.004 10 0 EEAEHO CN(C)c1ccncc1CNCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657596968 471179440 /nfs/dbraw/zinc/17/94/40/471179440.db2.gz PTTONCFCOMJBSC-IBGZPJMESA-N 1 3 340.471 2.004 10 0 EEAEHO [NH3+]CC1(CCNC(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000652125194 471240370 /nfs/dbraw/zinc/24/03/70/471240370.db2.gz IRUDVVBOOPNSIL-UHFFFAOYSA-N 1 3 344.503 2.122 10 0 EEAEHO CC(=O)NCc1ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000658079040 471264901 /nfs/dbraw/zinc/26/49/01/471264901.db2.gz YLDHHPJCSVUDPI-FQEVSTJZSA-N 1 3 345.487 2.056 10 0 EEAEHO C[NH2+]Cc1ccccc1CNC(=O)N1CCCC12CCN(C)CC2 ZINC000652288321 471267351 /nfs/dbraw/zinc/26/73/51/471267351.db2.gz CPWPDALORGQSTP-UHFFFAOYSA-N 1 3 330.476 2.176 10 0 EEAEHO C[C@@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cn2ccccc2n1 ZINC000655713193 471453538 /nfs/dbraw/zinc/45/35/38/471453538.db2.gz YGTNJCGAUADGLE-CVEARBPZSA-N 1 3 327.476 2.153 10 0 EEAEHO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659035709 471478029 /nfs/dbraw/zinc/47/80/29/471478029.db2.gz MRBCGBZEOSQWGC-ZWKOTPCHSA-N 1 3 346.475 2.296 10 0 EEAEHO C[NH+](C)C1CCC(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659045799 471487112 /nfs/dbraw/zinc/48/71/12/471487112.db2.gz YEXPMVWZGSFWBB-ABHNRTSZSA-N 1 3 346.475 2.342 10 0 EEAEHO [NH3+]C[C@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)C(F)(F)F ZINC000655911529 471533588 /nfs/dbraw/zinc/53/35/88/471533588.db2.gz FKPTVGMMBJWODY-KGLIPLIRSA-N 1 3 344.381 2.012 10 0 EEAEHO [NH3+]CC1(CCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000653220951 471540459 /nfs/dbraw/zinc/54/04/59/471540459.db2.gz AIVNGWUTFDSDKF-MRXNPFEDSA-N 1 3 333.451 2.283 10 0 EEAEHO O=C(NCc1ccc2c(c1)CNC2)NC1CC([NH+]2CCCCC2)C1 ZINC000669575183 471563362 /nfs/dbraw/zinc/56/33/62/471563362.db2.gz RHDBLUAOLQGNOM-UHFFFAOYSA-N 1 3 328.460 2.106 10 0 EEAEHO CC(C)Cc1ccc([C@@H](CNC(=O)NC/C=C/C[NH3+])N(C)C)cc1 ZINC000669587057 471569807 /nfs/dbraw/zinc/56/98/07/471569807.db2.gz ZSFIUXFKTJOYKK-DUMMIQTOSA-N 1 3 332.492 2.302 10 0 EEAEHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H]2Cc3ccccc3[C@@H]2C)CC1 ZINC000661520671 471788117 /nfs/dbraw/zinc/78/81/17/471788117.db2.gz JAKDZTSXEJHZLI-HNAYVOBHSA-N 1 3 329.488 2.293 10 0 EEAEHO Cc1cscc1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664768442 471856818 /nfs/dbraw/zinc/85/68/18/471856818.db2.gz CHVGSTZCEKGJLG-AWEZNQCLSA-N 1 3 326.510 2.128 10 0 EEAEHO Cc1cscc1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664768442 471856822 /nfs/dbraw/zinc/85/68/22/471856822.db2.gz CHVGSTZCEKGJLG-AWEZNQCLSA-N 1 3 326.510 2.128 10 0 EEAEHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000667785737 471903727 /nfs/dbraw/zinc/90/37/27/471903727.db2.gz YTJJYTIWXUZIEQ-UXHICEINSA-N 1 3 329.488 2.091 10 0 EEAEHO O=C(CN1CCC[C@@H]([C@H]2CCCCO2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000661881319 471912431 /nfs/dbraw/zinc/91/24/31/471912431.db2.gz USJIJXDYAWNSPO-VQIMIIECSA-N 1 3 349.519 2.011 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000654384042 471938151 /nfs/dbraw/zinc/93/81/51/471938151.db2.gz QHYWPVMASYWCPO-QRVBRYPASA-N 1 3 344.503 2.290 10 0 EEAEHO COc1ccc([C@H](CCn2cncn2)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665282358 471988870 /nfs/dbraw/zinc/98/88/70/471988870.db2.gz WJXJSDJXLCXTQX-MSOLQXFVSA-N 1 3 331.464 2.381 10 0 EEAEHO CN(Cc1ccc(Br)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249909 472041092 /nfs/dbraw/zinc/04/10/92/472041092.db2.gz UWILJTPYWZLMCW-CQSZACIVSA-N 1 3 325.250 2.402 10 0 EEAEHO CC(C)N1CCN(CCCN2c3ccccc3CC[C@@H]2C[NH3+])CC1 ZINC000662304869 472064027 /nfs/dbraw/zinc/06/40/27/472064027.db2.gz NGSLHGBFTDSAOZ-LJQANCHMSA-N 1 3 330.520 2.183 10 0 EEAEHO CCCN(C[C@@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1COc2ccccc2O1 ZINC000662248681 485595443 /nfs/dbraw/zinc/59/54/43/485595443.db2.gz ANKDRXMIUKSNJM-JKSUJKDBSA-N 1 3 332.444 2.059 10 0 EEAEHO C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCC([C@H]2CCOC2)CC1 ZINC000680088184 485885190 /nfs/dbraw/zinc/88/51/90/485885190.db2.gz CMQUAXFHPZCMJV-PMACEKPBSA-N 1 3 332.488 2.228 10 0 EEAEHO C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCC([C@H]2CCOC2)CC1 ZINC000680088184 485885196 /nfs/dbraw/zinc/88/51/96/485885196.db2.gz CMQUAXFHPZCMJV-PMACEKPBSA-N 1 3 332.488 2.228 10 0 EEAEHO CN1CC[C@H](NC(=S)NCC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000760500032 577664243 /nfs/dbraw/zinc/66/42/43/577664243.db2.gz PLKBPULWWHFBKE-ROUUACIJSA-N 1 3 346.544 2.238 10 0 EEAEHO C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CN1C1CC1 ZINC000896897573 685670368 /nfs/dbraw/zinc/67/03/68/685670368.db2.gz APORHLZTIIQAPS-IAAVTCLWSA-N 1 3 327.472 2.421 10 0 EEAEHO C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CN1C1CC1 ZINC000896897573 685670369 /nfs/dbraw/zinc/67/03/69/685670369.db2.gz APORHLZTIIQAPS-IAAVTCLWSA-N 1 3 327.472 2.421 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000898585160 693384756 /nfs/dbraw/zinc/38/47/56/693384756.db2.gz OLBNFVQFGFXRBH-HNSVSWJLSA-N 1 3 327.538 2.049 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000898585160 693384762 /nfs/dbraw/zinc/38/47/62/693384762.db2.gz OLBNFVQFGFXRBH-HNSVSWJLSA-N 1 3 327.538 2.049 10 0 EEAEHO C[C@@H](c1cccc(F)c1)N(C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480865866 1176138798 /nfs/dbraw/zinc/13/87/98/1176138798.db2.gz QXOIZWYBYXDIRZ-KBXCAEBGSA-N 1 3 333.451 2.277 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CCCOC(C)C)C1 ZINC001266328188 1176307501 /nfs/dbraw/zinc/30/75/01/1176307501.db2.gz VZIIZRSXEIKOBB-ROUUACIJSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CCCOC(C)C)C1 ZINC001266328188 1176307512 /nfs/dbraw/zinc/30/75/12/1176307512.db2.gz VZIIZRSXEIKOBB-ROUUACIJSA-N 1 3 339.524 2.112 10 0 EEAEHO CN(CCNCc1cccnc1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001266787705 1177429478 /nfs/dbraw/zinc/42/94/78/1177429478.db2.gz LXCPENPNNCCQTA-UHFFFAOYSA-N 1 3 332.492 2.284 10 0 EEAEHO CN(CCNCc1cccnc1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001266787705 1177429482 /nfs/dbraw/zinc/42/94/82/1177429482.db2.gz LXCPENPNNCCQTA-UHFFFAOYSA-N 1 3 332.492 2.284 10 0 EEAEHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]CCCc2ccsc2)C1 ZINC001267069125 1178185497 /nfs/dbraw/zinc/18/54/97/1178185497.db2.gz PDONKRNPISZHCQ-QGZVFWFLSA-N 1 3 335.517 2.215 10 0 EEAEHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1conc1C)N(C)C ZINC001267169760 1178390070 /nfs/dbraw/zinc/39/00/70/1178390070.db2.gz WQEKTEXSCZWVQF-DLBZAZTESA-N 1 3 336.480 2.184 10 0 EEAEHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@H+]1Cc1conc1C)N(C)C ZINC001267169760 1178390078 /nfs/dbraw/zinc/39/00/78/1178390078.db2.gz WQEKTEXSCZWVQF-DLBZAZTESA-N 1 3 336.480 2.184 10 0 EEAEHO CCCNCc1nc2c(s1)CCN(C(=O)CCCC[NH+](C)C)C2 ZINC001692269844 1178725024 /nfs/dbraw/zinc/72/50/24/1178725024.db2.gz ZOCRBWXWTALGBB-UHFFFAOYSA-N 1 3 338.521 2.259 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]CC[C@H]2CCc3ccccc32)C1 ZINC001267429195 1178995794 /nfs/dbraw/zinc/99/57/94/1178995794.db2.gz SEKSIGCPWCPDGU-IEBWSBKVSA-N 1 3 343.515 2.496 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+]C[C@@H]2CC[C@H](C)O2)CC1 ZINC001267920655 1180767039 /nfs/dbraw/zinc/76/70/39/1180767039.db2.gz BHNMVFSAGSWJNF-WMZOPIPTSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)c1cccc(CN2CC[C@@H](CCNC(=O)CC[NH+](C)C)C2)n1 ZINC001481447998 1181374544 /nfs/dbraw/zinc/37/45/44/1181374544.db2.gz VIKCIJFMUWYNJQ-QGZVFWFLSA-N 1 3 346.519 2.485 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@H]1CCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC001481705257 1182255861 /nfs/dbraw/zinc/25/58/61/1182255861.db2.gz NPYMQJLGNZZKMS-SJLPKXTDSA-N 1 3 333.451 2.345 10 0 EEAEHO CCN(CC[NH2+]CCCc1cccc(F)c1)C(=O)[C@H]1CCCN1C ZINC001268471921 1182847903 /nfs/dbraw/zinc/84/79/03/1182847903.db2.gz VTEFUZBREKOMDX-GOSISDBHSA-N 1 3 335.467 2.291 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001268488551 1182971988 /nfs/dbraw/zinc/97/19/88/1182971988.db2.gz SVUZNKGYAHPLRS-UHFFFAOYSA-N 1 3 346.519 2.449 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)N[C@](C)(CNCc2ccccc2F)C2CC2)C1 ZINC001481953342 1183029961 /nfs/dbraw/zinc/02/99/61/1183029961.db2.gz XSAQDIZRVBSECP-HNAYVOBHSA-N 1 3 333.451 2.152 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)N[C@](C)(CNCc2ccccc2F)C2CC2)C1 ZINC001481953342 1183029969 /nfs/dbraw/zinc/02/99/69/1183029969.db2.gz XSAQDIZRVBSECP-HNAYVOBHSA-N 1 3 333.451 2.152 10 0 EEAEHO CC(C)[C@H](C(=O)N1CCC(CC[NH2+]Cc2ccccn2)CC1)N(C)C ZINC001482006753 1183129054 /nfs/dbraw/zinc/12/90/54/1183129054.db2.gz ILKRACJQDADKFA-LJQANCHMSA-N 1 3 346.519 2.386 10 0 EEAEHO CC[C@H](C(=O)NC/C=C\C[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C ZINC001268617094 1183533748 /nfs/dbraw/zinc/53/37/48/1183533748.db2.gz MIGPJXWNEPCNAQ-FDICQLOXSA-N 1 3 333.451 2.415 10 0 EEAEHO C[C@H](C[NH2+]CCc1ccccc1F)NC(=O)C(C)(C)N1CCCC1 ZINC001268657298 1183586600 /nfs/dbraw/zinc/58/66/00/1183586600.db2.gz PTKKGMKMCIOJIR-OAHLLOKOSA-N 1 3 335.467 2.337 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001269071816 1183939634 /nfs/dbraw/zinc/93/96/34/1183939634.db2.gz RLBFPTJGTMGRKF-KBPBESRZSA-N 1 3 335.414 2.296 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NCC2(NCc3cncs3)CCCC2)C1 ZINC001482235789 1184476856 /nfs/dbraw/zinc/47/68/56/1184476856.db2.gz SXGMELUSILAMPI-CQSZACIVSA-N 1 3 336.505 2.004 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NCC2(NCc3cncs3)CCCC2)C1 ZINC001482235789 1184476859 /nfs/dbraw/zinc/47/68/59/1184476859.db2.gz SXGMELUSILAMPI-CQSZACIVSA-N 1 3 336.505 2.004 10 0 EEAEHO Cc1ncoc1CNCC[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001269785245 1184619955 /nfs/dbraw/zinc/61/99/55/1184619955.db2.gz LOXWACUVFAEOAH-IAGOWNOFSA-N 1 3 348.491 2.043 10 0 EEAEHO 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EEAEHO Cc1cccc(CCC[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H]2C)c1 ZINC001283913359 1326317905 /nfs/dbraw/zinc/31/79/05/1326317905.db2.gz KZYJVQQWOYIMKU-QFBILLFUSA-N 1 3 340.471 2.472 10 0 EEAEHO CCOCCN(C)CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C(C)C ZINC001284553449 1326608181 /nfs/dbraw/zinc/60/81/81/1326608181.db2.gz LZFQDHHWCZGAEC-MSOLQXFVSA-N 1 3 339.524 2.209 10 0 EEAEHO CCOCCN(C)CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C(C)C ZINC001284553449 1326608183 /nfs/dbraw/zinc/60/81/83/1326608183.db2.gz LZFQDHHWCZGAEC-MSOLQXFVSA-N 1 3 339.524 2.209 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[C@H]1CCC[N@@H+]1CC[C@H]1CCCO1 ZINC001492176160 1331054238 /nfs/dbraw/zinc/05/42/38/1331054238.db2.gz SKRTWAKTKLWHDJ-DLBZAZTESA-N 1 3 348.491 2.191 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[C@H]1CCC[N@H+]1CC[C@H]1CCCO1 ZINC001492176160 1331054245 /nfs/dbraw/zinc/05/42/45/1331054245.db2.gz SKRTWAKTKLWHDJ-DLBZAZTESA-N 1 3 348.491 2.191 10 0 EEAEHO Cc1cncc(CN(C)CCCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC001316868993 1331798149 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EEAEHO CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCc1cccc(Cl)n1 ZINC001318571032 1332562342 /nfs/dbraw/zinc/56/23/42/1332562342.db2.gz UNDYUJRLKITBIE-CZUORRHYSA-N 1 3 340.899 2.306 10 0 EEAEHO Cc1ccc(C)c(OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001319437597 1332701408 /nfs/dbraw/zinc/70/14/08/1332701408.db2.gz WEEIUGUKFAFJIO-MSOLQXFVSA-N 1 3 347.503 2.213 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)C2(N(C)C)CCC2)s1 ZINC001320445800 1332885474 /nfs/dbraw/zinc/88/54/74/1332885474.db2.gz KKSRWYUWARZKPD-GFCCVEGCSA-N 1 3 338.521 2.229 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CCNCc2conc2C)C1 ZINC001320531066 1332904716 /nfs/dbraw/zinc/90/47/16/1332904716.db2.gz XMADWAHCUUPWMK-HOCLYGCPSA-N 1 3 336.480 2.089 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CCNCc2conc2C)C1 ZINC001320531066 1332904718 /nfs/dbraw/zinc/90/47/18/1332904718.db2.gz XMADWAHCUUPWMK-HOCLYGCPSA-N 1 3 336.480 2.089 10 0 EEAEHO CCN(CC[NH2+]Cc1ccc(C)c(OC)c1)C(=O)CN1CCCC1 ZINC001320922187 1332979945 /nfs/dbraw/zinc/97/99/45/1332979945.db2.gz QWFMYFBTCFQGLB-UHFFFAOYSA-N 1 3 333.476 2.038 10 0 EEAEHO COc1cccc(CNC/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1C ZINC001321066616 1333010217 /nfs/dbraw/zinc/01/02/17/1333010217.db2.gz MEUAFDQPOWPAHD-GOVFWEMJSA-N 1 3 345.487 2.106 10 0 EEAEHO COc1cccc(CNC/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1C ZINC001321066616 1333010218 /nfs/dbraw/zinc/01/02/18/1333010218.db2.gz MEUAFDQPOWPAHD-GOVFWEMJSA-N 1 3 345.487 2.106 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001321282175 1333063225 /nfs/dbraw/zinc/06/32/25/1333063225.db2.gz VQTWCAHKFJHAAF-SFFCAUCYSA-N 1 3 344.503 2.415 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001321282175 1333063228 /nfs/dbraw/zinc/06/32/28/1333063228.db2.gz VQTWCAHKFJHAAF-SFFCAUCYSA-N 1 3 344.503 2.415 10 0 EEAEHO CCOCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001323812790 1333544324 /nfs/dbraw/zinc/54/43/24/1333544324.db2.gz LLXYLYILXIYSOX-HKUYNNGSSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001323812790 1333544327 /nfs/dbraw/zinc/54/43/27/1333544327.db2.gz LLXYLYILXIYSOX-HKUYNNGSSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001324671363 1333736120 /nfs/dbraw/zinc/73/61/20/1333736120.db2.gz CRLHBCFXGKYJJG-FQEVSTJZSA-N 1 3 347.503 2.369 10 0 EEAEHO CCOCCC[N@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001324671363 1333736123 /nfs/dbraw/zinc/73/61/23/1333736123.db2.gz CRLHBCFXGKYJJG-FQEVSTJZSA-N 1 3 347.503 2.369 10 0 EEAEHO COCCCC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001327860051 1334356370 /nfs/dbraw/zinc/35/63/70/1334356370.db2.gz GNAIPGOKQYXNFF-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)CC[C@@H]1CCCCO1 ZINC001479816677 1337399561 /nfs/dbraw/zinc/39/95/61/1337399561.db2.gz WVZLBZNPHXKVJW-ROUUACIJSA-N 1 3 339.524 2.258 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CC[C@@H]1CCCCO1 ZINC001479816677 1337399563 /nfs/dbraw/zinc/39/95/63/1337399563.db2.gz WVZLBZNPHXKVJW-ROUUACIJSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@H](CC[NH2+]Cc1cncc(F)c1)NC(=O)CN(C)CC(C)(C)C ZINC001668214456 1355901057 /nfs/dbraw/zinc/90/10/57/1355901057.db2.gz LWHHHKTWQIBDOL-CQSZACIVSA-N 1 3 338.471 2.183 10 0 EEAEHO Cc1ncc(CN[C@H]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)o1 ZINC001567176056 1342705047 /nfs/dbraw/zinc/70/50/47/1342705047.db2.gz HKHMGSAUBHEBEE-JKSUJKDBSA-N 1 3 336.480 2.232 10 0 EEAEHO CCOCCC[NH+]1CCC(C)(NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001569578323 1342900650 /nfs/dbraw/zinc/90/06/50/1342900650.db2.gz JFQHPTLKLNHFAT-CALCHBBNSA-N 1 3 339.524 2.257 10 0 EEAEHO COCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001570183387 1343028163 /nfs/dbraw/zinc/02/81/63/1343028163.db2.gz JLEXNYAAPOXNKV-ROUUACIJSA-N 1 3 339.524 2.258 10 0 EEAEHO COCCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001570183387 1343028168 /nfs/dbraw/zinc/02/81/68/1343028168.db2.gz JLEXNYAAPOXNKV-ROUUACIJSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@H]1C[C@H](NCc2nccs2)CCN1C(=O)CCCC[NH+](C)C ZINC001671251032 1353941598 /nfs/dbraw/zinc/94/15/98/1353941598.db2.gz IDHJJGOXWNCHBX-LSDHHAIUSA-N 1 3 338.521 2.344 10 0 EEAEHO COCCCC[NH2+][C@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001656899432 1354296385 /nfs/dbraw/zinc/29/63/85/1354296385.db2.gz ORCAYHQSPMRNSY-ROUUACIJSA-N 1 3 339.524 2.116 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC(C)(C)C1 ZINC001657106154 1354328459 /nfs/dbraw/zinc/32/84/59/1354328459.db2.gz MQBRRYXJRZGQMR-IAGOWNOFSA-N 1 3 341.540 2.360 10 0 EEAEHO CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC(C)(C)C1 ZINC001657106154 1354328464 /nfs/dbraw/zinc/32/84/64/1354328464.db2.gz MQBRRYXJRZGQMR-IAGOWNOFSA-N 1 3 341.540 2.360 10 0 EEAEHO Cc1nc(C)c(CN(C)CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)s1 ZINC001660369168 1354451329 /nfs/dbraw/zinc/45/13/29/1354451329.db2.gz QMUFGNDSWRAUJW-HNNXBMFYSA-N 1 3 338.521 2.040 10 0 EEAEHO Cc1nc(C)c(CN(C)CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)s1 ZINC001660369168 1354451332 /nfs/dbraw/zinc/45/13/32/1354451332.db2.gz QMUFGNDSWRAUJW-HNNXBMFYSA-N 1 3 338.521 2.040 10 0 EEAEHO CC(C)OCC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001666808350 1355593408 /nfs/dbraw/zinc/59/34/08/1355593408.db2.gz FVOQVBBRFDXJQV-CALCHBBNSA-N 1 3 339.524 2.303 10 0 EEAEHO Cc1cccc(OCC[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC001671385319 1356333766 /nfs/dbraw/zinc/33/37/66/1356333766.db2.gz TZMWVJMSRRMQGW-SFHVURJKSA-N 1 3 345.487 2.050 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CCNCc2conc2C)C1 ZINC001672805576 1356588548 /nfs/dbraw/zinc/58/85/48/1356588548.db2.gz NTALERXPQZVITP-SJLPKXTDSA-N 1 3 348.491 2.186 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CCNCc2conc2C)C1 ZINC001672805576 1356588554 /nfs/dbraw/zinc/58/85/54/1356588554.db2.gz NTALERXPQZVITP-SJLPKXTDSA-N 1 3 348.491 2.186 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001673929267 1356761964 /nfs/dbraw/zinc/76/19/64/1356761964.db2.gz QWNHCVBLSMWLPV-UONOGXRCSA-N 1 3 337.430 2.496 10 0 EEAEHO CC(C)C[NH2+]CCCOC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001675153741 1356939789 /nfs/dbraw/zinc/93/97/89/1356939789.db2.gz QXBONNIEGMSLEG-UHFFFAOYSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cc(C)cc(OCC[NH2+][C@@H](C)CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001690621145 1404930944 /nfs/dbraw/zinc/93/09/44/1404930944.db2.gz NSCAHANFSNIHOZ-YJBOKZPZSA-N 1 3 347.503 2.118 10 0 EEAEHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccnc(Cl)c1 ZINC001698747589 1405041966 /nfs/dbraw/zinc/04/19/66/1405041966.db2.gz DPMYQMNSKKRFSL-ZDUSSCGKSA-N 1 3 338.883 2.061 10 0 EEAEHO COCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001699848668 1405525417 /nfs/dbraw/zinc/52/54/17/1405525417.db2.gz QVSBJYJDKCKTIW-HKUYNNGSSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N(C)CC[NH+]2CCCCC2)cc(Cl)n1 ZINC000846701256 790441365 /nfs/dbraw/zinc/44/13/65/790441365.db2.gz SXUFDHLNHBQNMS-OAHLLOKOSA-N 1 3 338.883 2.378 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CCN1C ZINC000921617963 789934116 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327.488 2.437 10 0 EEAEHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000811460996 798574500 /nfs/dbraw/zinc/57/45/00/798574500.db2.gz DLVZZLKZDSCXBS-GOSISDBHSA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1ccncc1CN(C)CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001566453295 1125613822 /nfs/dbraw/zinc/61/38/22/1125613822.db2.gz JCOXOJCJSXHFHW-GOSISDBHSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1ccncc1CN(C)CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001566453295 1125613825 /nfs/dbraw/zinc/61/38/25/1125613825.db2.gz JCOXOJCJSXHFHW-GOSISDBHSA-N 1 3 332.492 2.201 10 0 EEAEHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ccccc3C)C[C@H]21)N(C)C ZINC001437078633 1089015038 /nfs/dbraw/zinc/01/50/38/1089015038.db2.gz APQMRBLECLYSGI-UKNAQKAOSA-N 1 3 329.488 2.443 10 0 EEAEHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ccccc3C)C[C@H]21)N(C)C ZINC001437078633 1089015052 /nfs/dbraw/zinc/01/50/52/1089015052.db2.gz APQMRBLECLYSGI-UKNAQKAOSA-N 1 3 329.488 2.443 10 0 EEAEHO 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331.451 2.199 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)N(CCO)CC[NH2+][C@@H](C)c1ccccc1 ZINC001440201958 1093274119 /nfs/dbraw/zinc/27/41/19/1093274119.db2.gz SHWSJAQPJBEQNO-HKUYNNGSSA-N 1 3 347.503 2.031 10 0 EEAEHO Cc1ncc(CN2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)s1 ZINC001440397029 1093578485 /nfs/dbraw/zinc/57/84/85/1093578485.db2.gz PEMZJTUFMPTBCS-HNNXBMFYSA-N 1 3 338.521 2.264 10 0 EEAEHO Cc1nc(C)c(C[NH2+][C@H](CCNC(=O)[C@@H]2CCCN2C)C(C)C)o1 ZINC001448554090 1093598099 /nfs/dbraw/zinc/59/80/99/1093598099.db2.gz LCTJNINSGWVFCS-CVEARBPZSA-N 1 3 336.480 2.006 10 0 EEAEHO CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H](N[C@H](C)c2cnc(C)cn2)C1 ZINC001440412152 1093606254 /nfs/dbraw/zinc/60/62/54/1093606254.db2.gz QDWOPOFJUTWLGU-IXDOHACOSA-N 1 3 347.507 2.062 10 0 EEAEHO CC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@@H](N[C@H](C)c2cnc(C)cn2)C1 ZINC001440412152 1093606258 /nfs/dbraw/zinc/60/62/58/1093606258.db2.gz QDWOPOFJUTWLGU-IXDOHACOSA-N 1 3 347.507 2.062 10 0 EEAEHO C[C@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]Cc1ccc(Cl)s1 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CC[C@@H](C(=O)NCC1([NH2+]CC[C@@H]2CCCCO2)CCCC1)N(C)C ZINC001444536638 1099310933 /nfs/dbraw/zinc/31/09/33/1099310933.db2.gz NNEUULSQBMFDNS-IRXDYDNUSA-N 1 3 339.524 2.304 10 0 EEAEHO CC(C)(C(=O)N1CCC[C@H](C[NH2+]CCCF)C1)N1CCCCC1 ZINC001480284803 1099992197 /nfs/dbraw/zinc/99/21/97/1099992197.db2.gz WUNKJEKFSBHZFN-MRXNPFEDSA-N 1 3 327.488 2.439 10 0 EEAEHO Cc1cc(CN[C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)sn1 ZINC001480492469 1100304645 /nfs/dbraw/zinc/30/46/45/1100304645.db2.gz KTKNSCDTTMMCCD-HOCLYGCPSA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1cc(CN[C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)sn1 ZINC001480492469 1100304656 /nfs/dbraw/zinc/30/46/56/1100304656.db2.gz KTKNSCDTTMMCCD-HOCLYGCPSA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1ncc(CN[C@@H](C)CNC(=O)c2ccc(C[NH+](C)C)cc2)s1 ZINC001480556572 1100396758 /nfs/dbraw/zinc/39/67/58/1100396758.db2.gz WKIVNRTZXMWENE-ZDUSSCGKSA-N 1 3 346.500 2.421 10 0 EEAEHO O=C(NC1(CNCc2ccns2)CCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001495161044 1100834012 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333.467 2.446 10 0 EEAEHO CCC1([NH2+]Cc2cnoc2C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001447404784 1102599980 /nfs/dbraw/zinc/59/99/80/1102599980.db2.gz FXBADFNXTRJORN-UHFFFAOYSA-N 1 3 348.491 2.328 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C\C[NH2+]Cc1cccc2cccnc21 ZINC001497749178 1103019496 /nfs/dbraw/zinc/01/94/96/1103019496.db2.gz DTFCNDPANGVAGR-UPHRSURJSA-N 1 3 338.455 2.093 10 0 EEAEHO CC(C)[C@H](CCN(C)C(=O)CN1CCCC1)[NH2+][C@H](C)c1cnccn1 ZINC001448220222 1104203564 /nfs/dbraw/zinc/20/35/64/1104203564.db2.gz LMYQMCJVJULBCE-SJORKVTESA-N 1 3 347.507 2.096 10 0 EEAEHO CC[N@H+](CCNC(=O)CN1[C@H](C)CC[C@H]1C)CCC1CCOCC1 ZINC001493063197 1107423436 /nfs/dbraw/zinc/42/34/36/1107423436.db2.gz NMHHEKSROJXOMZ-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[N@@H+](CCNC(=O)CN1[C@H](C)CC[C@H]1C)CCC1CCOCC1 ZINC001493063197 1107423445 /nfs/dbraw/zinc/42/34/45/1107423445.db2.gz NMHHEKSROJXOMZ-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO COc1cccc(C[N@H+](C)C[C@H](C)NC(=O)CN2CC[C@H](C)C2)c1C ZINC001498380778 1107424901 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/nfs/dbraw/zinc/95/93/24/1113959324.db2.gz YAQWOHWMDPYDGF-MJGOQNOKSA-N 1 3 345.487 2.082 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCOc1ccccc1 ZINC001505424969 1113959328 /nfs/dbraw/zinc/95/93/28/1113959328.db2.gz YAQWOHWMDPYDGF-MJGOQNOKSA-N 1 3 345.487 2.082 10 0 EEAEHO COc1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2(N(C)C)CCC2)ccc1C ZINC001505621015 1114089472 /nfs/dbraw/zinc/08/94/72/1114089472.db2.gz BRXUAAMXAVVNJT-JKSUJKDBSA-N 1 3 347.503 2.471 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001506001432 1114333348 /nfs/dbraw/zinc/33/33/48/1114333348.db2.gz ALVRDKQXJMPXGN-HOTGVXAUSA-N 1 3 342.487 2.446 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001506001432 1114333351 /nfs/dbraw/zinc/33/33/51/1114333351.db2.gz ALVRDKQXJMPXGN-HOTGVXAUSA-N 1 3 342.487 2.446 10 0 EEAEHO C[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[N@H+](C)CC1CCC1 ZINC001506001789 1114334006 /nfs/dbraw/zinc/33/40/06/1114334006.db2.gz IGMYEBYKUQUDHF-KSSFIOAISA-N 1 3 327.488 2.436 10 0 EEAEHO C[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[N@@H+](C)CC1CCC1 ZINC001506001789 1114334009 /nfs/dbraw/zinc/33/40/09/1114334009.db2.gz IGMYEBYKUQUDHF-KSSFIOAISA-N 1 3 327.488 2.436 10 0 EEAEHO Cc1ccccc1OCC[NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001507091267 1115103493 /nfs/dbraw/zinc/10/34/93/1115103493.db2.gz USHLCAFGZVGLKA-KRWDZBQOSA-N 1 3 347.503 2.295 10 0 EEAEHO COCCN(C)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001507839086 1115356419 /nfs/dbraw/zinc/35/64/19/1115356419.db2.gz AXYWBVBJKHZOES-QGZVFWFLSA-N 1 3 327.513 2.066 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001568898090 1124926839 /nfs/dbraw/zinc/92/68/39/1124926839.db2.gz IJWJXGVBSGBNJL-LJGXYGFNSA-N 1 3 341.499 2.463 10 0 EEAEHO C[C@H](NC/C=C/CNC(=O)C12CC[NH+](CC1)C2)c1cccc(F)c1 ZINC001568951216 1124984736 /nfs/dbraw/zinc/98/47/36/1124984736.db2.gz NLPJQGUUZLUXBO-FAAWYNLUSA-N 1 3 331.435 2.245 10 0 EEAEHO CC(C)[C@H](C(=O)NC/C=C/CNCc1ccnc(Cl)c1)[NH+](C)C ZINC001568952054 1124986927 /nfs/dbraw/zinc/98/69/27/1124986927.db2.gz YAQCVPGDCBFCEH-SQRWCISFSA-N 1 3 338.883 2.083 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCc1ccccc1F ZINC001569056484 1125069891 /nfs/dbraw/zinc/06/98/91/1125069891.db2.gz DSORFEQUBOYGPV-MAUKXSAKSA-N 1 3 335.467 2.335 10 0 EEAEHO CN(C)Cc1cccc(C(=O)N(C)CCC[NH2+]C[C@@H]2CCCOC2)c1 ZINC001569269365 1125208097 /nfs/dbraw/zinc/20/80/97/1125208097.db2.gz UQWOBQJKDNKVHT-SFHVURJKSA-N 1 3 347.503 2.227 10 0 EEAEHO CC[NH+](CC)Cc1ccc(CN[C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422788283 240224529 /nfs/dbraw/zinc/22/45/29/240224529.db2.gz QZIZCZJDNJUKDX-PMACEKPBSA-N 1 3 331.504 2.385 10 0 EEAEHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(Cn2ccccc2=O)cc1 ZINC000422951686 240306640 /nfs/dbraw/zinc/30/66/40/240306640.db2.gz ZSVOZYCHFXSOEA-VQIMIIECSA-N 1 3 325.456 2.374 10 0 EEAEHO C[NH+](C)C1(CNC(=O)N2CC[C@H](N3CC=CC3)C2)CCCCCC1 ZINC000465634288 245354140 /nfs/dbraw/zinc/35/41/40/245354140.db2.gz PXZFQUGRSLFOSB-KRWDZBQOSA-N 1 3 334.508 2.297 10 0 EEAEHO C[C@@H](O)CCCN1CCCC2(CCC[N@H+](CCC[C@@H](C)O)C2)C1 ZINC000352027950 296170109 /nfs/dbraw/zinc/17/01/09/296170109.db2.gz NPSCTUVUYMPHHM-PWCSWUJKSA-N 1 3 326.525 2.486 10 0 EEAEHO C[C@@H](O)CCCN1CCCC2(CCC[N@@H+](CCC[C@@H](C)O)C2)C1 ZINC000352027950 296170111 /nfs/dbraw/zinc/17/01/11/296170111.db2.gz NPSCTUVUYMPHHM-PWCSWUJKSA-N 1 3 326.525 2.486 10 0 EEAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000097395093 219021985 /nfs/dbraw/zinc/02/19/85/219021985.db2.gz MSOYZYIBIJFUNJ-MOPGFXCFSA-N 1 3 348.535 2.435 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000119080024 292240743 /nfs/dbraw/zinc/24/07/43/292240743.db2.gz BSZXBKDYBKTWIJ-HOCLYGCPSA-N 1 3 339.430 2.020 10 0 EEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194191636 160191315 /nfs/dbraw/zinc/19/13/15/160191315.db2.gz PJVXLOYZEGBLKQ-GOSISDBHSA-N 1 3 338.540 2.480 10 0 EEAEHO C[N@@H+]1CC[C@@]2(CCN(C[C@@H]3CCN(C(=O)c4ccccc4)C3)C2)C1 ZINC000292075501 275372253 /nfs/dbraw/zinc/37/22/53/275372253.db2.gz FCZURGVIMMDXNF-FXAWDEMLSA-N 1 3 327.472 2.176 10 0 EEAEHO C[N@H+]1CC[C@@]2(CCN(C[C@@H]3CCN(C(=O)c4ccccc4)C3)C2)C1 ZINC000292075501 275372256 /nfs/dbraw/zinc/37/22/56/275372256.db2.gz FCZURGVIMMDXNF-FXAWDEMLSA-N 1 3 327.472 2.176 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc[nH]c1C1CC1 ZINC000284055667 293023995 /nfs/dbraw/zinc/02/39/95/293023995.db2.gz UTOHMWXBNGIQJQ-MRXNPFEDSA-N 1 3 332.492 2.380 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc[nH]c1C1CC1 ZINC000284055667 293023998 /nfs/dbraw/zinc/02/39/98/293023998.db2.gz UTOHMWXBNGIQJQ-MRXNPFEDSA-N 1 3 332.492 2.380 10 0 EEAEHO COC(=O)CCn1nc(C)c(CNCc2ccc([C@@H](C)[NH3+])cc2)c1C ZINC000414816099 313096343 /nfs/dbraw/zinc/09/63/43/313096343.db2.gz ZITCVHHTPFDRIK-CYBMUJFWSA-N 1 3 344.459 2.373 10 0 EEAEHO CCCn1cc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)cn1 ZINC000415135127 313120049 /nfs/dbraw/zinc/12/00/49/313120049.db2.gz PUDCFILMIMDIRK-UHFFFAOYSA-N 1 3 341.503 2.376 10 0 EEAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N(C)C ZINC000418160668 313729640 /nfs/dbraw/zinc/72/96/40/313729640.db2.gz BJWUWVFLNOGTKT-NBMJBFSESA-N 1 3 344.503 2.380 10 0 EEAEHO C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@H](N)c3ccccc3)C2)CC1 ZINC000418432148 313812112 /nfs/dbraw/zinc/81/21/12/313812112.db2.gz SJRPJLUWGCOFQN-MSOLQXFVSA-N 1 3 330.476 2.060 10 0 EEAEHO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCCC23CCN(C)CC3)cc1 ZINC000564064084 319064682 /nfs/dbraw/zinc/06/46/82/319064682.db2.gz GCZIPNCOVVFGLD-OAHLLOKOSA-N 1 3 330.476 2.476 10 0 EEAEHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCc2ccccc2[C@H]1CN ZINC000566193962 319258659 /nfs/dbraw/zinc/25/86/59/319258659.db2.gz PSMLWSVPTGXBKX-MAUKXSAKSA-N 1 3 332.492 2.375 10 0 EEAEHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCc2ccccc2[C@H]1CN ZINC000566193962 319258661 /nfs/dbraw/zinc/25/86/61/319258661.db2.gz PSMLWSVPTGXBKX-MAUKXSAKSA-N 1 3 332.492 2.375 10 0 EEAEHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000566672686 319310801 /nfs/dbraw/zinc/31/08/01/319310801.db2.gz BXJDCGRJDCXBRU-NUEKZKHPSA-N 1 3 329.423 2.116 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000570780191 319696055 /nfs/dbraw/zinc/69/60/55/319696055.db2.gz ZFKYTDCKPHVPOL-IBGZPJMESA-N 1 3 347.503 2.228 10 0 EEAEHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000576940781 320217856 /nfs/dbraw/zinc/21/78/56/320217856.db2.gz CTPXZVVIAIJSIH-VQIMIIECSA-N 1 3 344.503 2.232 10 0 EEAEHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000576940781 320217859 /nfs/dbraw/zinc/21/78/59/320217859.db2.gz CTPXZVVIAIJSIH-VQIMIIECSA-N 1 3 344.503 2.232 10 0 EEAEHO C[NH+](C)CC1CCC(NC(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000441523920 323578408 /nfs/dbraw/zinc/57/84/08/323578408.db2.gz LFMIYFGSADEIGP-DAWZGUTISA-N 1 3 336.524 2.377 10 0 EEAEHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000342357324 465312896 /nfs/dbraw/zinc/31/28/96/465312896.db2.gz SGRGPKKONGBCKS-CRAIPNDOSA-N 1 3 336.524 2.233 10 0 EEAEHO CC[NH+]1CCC(CCNC(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000074734240 462628245 /nfs/dbraw/zinc/62/82/45/462628245.db2.gz IPFNXCMVMDPOFR-SFHVURJKSA-N 1 3 336.524 2.378 10 0 EEAEHO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(OCCN(C)C)cc1 ZINC000125458952 463546247 /nfs/dbraw/zinc/54/62/47/463546247.db2.gz ZRSUVLGSZRTSFX-QFBILLFUSA-N 1 3 336.476 2.067 10 0 EEAEHO CN(C)C[C@@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000193642036 463723967 /nfs/dbraw/zinc/72/39/67/463723967.db2.gz CTVQAJUSJVMGHB-LJQANCHMSA-N 1 3 344.503 2.463 10 0 EEAEHO CCN1CCC[C@H](NC(=O)N(CC[NH+](CC)CC)CC(C)C)C1 ZINC000194177463 463809656 /nfs/dbraw/zinc/80/96/56/463809656.db2.gz OQPLVJHPQKDAIK-KRWDZBQOSA-N 1 3 326.529 2.480 10 0 EEAEHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900965 463944881 /nfs/dbraw/zinc/94/48/81/463944881.db2.gz SEGHOYQZRVRGJC-MOPGFXCFSA-N 1 3 342.487 2.313 10 0 EEAEHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171900965 463944886 /nfs/dbraw/zinc/94/48/86/463944886.db2.gz SEGHOYQZRVRGJC-MOPGFXCFSA-N 1 3 342.487 2.313 10 0 EEAEHO CCN1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000246419103 464582149 /nfs/dbraw/zinc/58/21/49/464582149.db2.gz LRPUNIBLFOKYNJ-QZTJIDSGSA-N 1 3 338.540 2.480 10 0 EEAEHO CCN1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000246419103 464582152 /nfs/dbraw/zinc/58/21/52/464582152.db2.gz LRPUNIBLFOKYNJ-QZTJIDSGSA-N 1 3 338.540 2.480 10 0 EEAEHO CCCC[N@H+](C)CC1CCN(CC2CCS(=O)(=O)CC2)CC1 ZINC000339867452 465563319 /nfs/dbraw/zinc/56/33/19/465563319.db2.gz QYBPXQIBIQPPRA-UHFFFAOYSA-N 1 3 330.538 2.255 10 0 EEAEHO CCCC[N@@H+](C)CC1CCN(CC2CCS(=O)(=O)CC2)CC1 ZINC000339867452 465563320 /nfs/dbraw/zinc/56/33/20/465563320.db2.gz QYBPXQIBIQPPRA-UHFFFAOYSA-N 1 3 330.538 2.255 10 0 EEAEHO CC[C@@H]1C[C@H](CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCO1 ZINC000349342052 466073202 /nfs/dbraw/zinc/07/32/02/466073202.db2.gz CWZANXSOKSIVLQ-LXKKFAQKSA-N 1 3 335.536 2.434 10 0 EEAEHO CC[C@@H]1C[C@H](CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCO1 ZINC000349342052 466073211 /nfs/dbraw/zinc/07/32/11/466073211.db2.gz CWZANXSOKSIVLQ-LXKKFAQKSA-N 1 3 335.536 2.434 10 0 EEAEHO COC(=O)COc1cccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367738047 466527175 /nfs/dbraw/zinc/52/71/75/466527175.db2.gz RBHDTJQJRAHMJQ-KSZLIROESA-N 1 3 332.444 2.201 10 0 EEAEHO COC(=O)COc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367738047 466527181 /nfs/dbraw/zinc/52/71/81/466527181.db2.gz RBHDTJQJRAHMJQ-KSZLIROESA-N 1 3 332.444 2.201 10 0 EEAEHO COC(=O)COc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c1 ZINC000367738047 466527188 /nfs/dbraw/zinc/52/71/88/466527188.db2.gz RBHDTJQJRAHMJQ-KSZLIROESA-N 1 3 332.444 2.201 10 0 EEAEHO CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423290745 466709627 /nfs/dbraw/zinc/70/96/27/466709627.db2.gz FHOLUCJTMOBYNB-KGLIPLIRSA-N 1 3 347.484 2.465 10 0 EEAEHO COc1ccc(OC2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662251306 472043413 /nfs/dbraw/zinc/04/34/13/472043413.db2.gz CNEGVGBRWVWXTF-GOSISDBHSA-N 1 3 332.444 2.059 10 0 EEAEHO CCC[NH2+]CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417728954 466918208 /nfs/dbraw/zinc/91/82/08/466918208.db2.gz BJUMBXVUDHNXOE-HOCLYGCPSA-N 1 3 338.521 2.430 10 0 EEAEHO C[NH2+][C@H]1CCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000418050179 467034045 /nfs/dbraw/zinc/03/40/45/467034045.db2.gz ZZJHNOJNGHJYTR-PKOBYXMFSA-N 1 3 330.476 2.044 10 0 EEAEHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418243751 467083086 /nfs/dbraw/zinc/08/30/86/467083086.db2.gz WLEOQGGRQISQDL-KSZLIROESA-N 1 3 336.524 2.138 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418499677 467120295 /nfs/dbraw/zinc/12/02/95/467120295.db2.gz MAZNUNJSHJKARS-JEBQAFNWSA-N 1 3 326.444 2.137 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000418587669 467132295 /nfs/dbraw/zinc/13/22/95/467132295.db2.gz GZRSJVQZFQVLPP-KCXAZCMYSA-N 1 3 338.883 2.240 10 0 EEAEHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000418591034 467132910 /nfs/dbraw/zinc/13/29/10/467132910.db2.gz KAPMJOGRVHZEBW-ZIFCJYIRSA-N 1 3 344.503 2.148 10 0 EEAEHO COC[C@@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000452102726 467323553 /nfs/dbraw/zinc/32/35/53/467323553.db2.gz LBDBRWJGFOYCOY-IEBWSBKVSA-N 1 3 347.503 2.154 10 0 EEAEHO CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000433904516 467361695 /nfs/dbraw/zinc/36/16/95/467361695.db2.gz SNDFUMBERMEFGA-GOSISDBHSA-N 1 3 336.524 2.425 10 0 EEAEHO C[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382760522 467379337 /nfs/dbraw/zinc/37/93/37/467379337.db2.gz JESPXNXLDSDLJU-MJGOQNOKSA-N 1 3 329.488 2.499 10 0 EEAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@]2(C)CCC(=O)N2)CC1 ZINC000453424198 467488100 /nfs/dbraw/zinc/48/81/00/467488100.db2.gz NMIRGBDGVMPWEI-UZLBHIALSA-N 1 3 329.488 2.340 10 0 EEAEHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000458341196 467811935 /nfs/dbraw/zinc/81/19/35/467811935.db2.gz KVCXKXRQGBLEEU-ZHALLVOQSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000458341196 467811939 /nfs/dbraw/zinc/81/19/39/467811939.db2.gz KVCXKXRQGBLEEU-ZHALLVOQSA-N 1 3 336.524 2.377 10 0 EEAEHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCCN(C)C1 ZINC000589768011 468183678 /nfs/dbraw/zinc/18/36/78/468183678.db2.gz XRRBTTLQPNWREV-GOSISDBHSA-N 1 3 332.492 2.374 10 0 EEAEHO C[C@]1(CNC(=O)NC[C@H]2CCC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000570697315 468679491 /nfs/dbraw/zinc/67/94/91/468679491.db2.gz HXYRUNOHBSILLQ-AZUAARDMSA-N 1 3 344.503 2.340 10 0 EEAEHO CCCN1CCN(c2ccccc2CN[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000629660373 469601001 /nfs/dbraw/zinc/60/10/01/469601001.db2.gz SLAONZNEPFEBHV-PKOBYXMFSA-N 1 3 330.520 2.449 10 0 EEAEHO CN(CC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCC1 ZINC000630001199 469699468 /nfs/dbraw/zinc/69/94/68/469699468.db2.gz RVKKKZANOMGVJC-UHFFFAOYSA-N 1 3 347.425 2.392 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@]1(C)CCc2ccccc21 ZINC000617502573 469699561 /nfs/dbraw/zinc/69/95/61/469699561.db2.gz UYMVVCNPSJVOGB-OXJNMPFZSA-N 1 3 331.504 2.279 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@]1(C)CCc2ccccc21 ZINC000617502573 469699563 /nfs/dbraw/zinc/69/95/63/469699563.db2.gz UYMVVCNPSJVOGB-OXJNMPFZSA-N 1 3 331.504 2.279 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000626993164 469781107 /nfs/dbraw/zinc/78/11/07/469781107.db2.gz CQVGJJYORAUMFS-DSLXNQLJSA-N 1 3 344.503 2.337 10 0 EEAEHO C[C@H]1CC[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C[NH2+]1 ZINC000627193837 469839359 /nfs/dbraw/zinc/83/93/59/469839359.db2.gz QQDYGLCFPGDYAK-WMZOPIPTSA-N 1 3 330.476 2.044 10 0 EEAEHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000620909785 469947797 /nfs/dbraw/zinc/94/77/97/469947797.db2.gz KJBNVTMRBYOXST-HZPDHXFCSA-N 1 3 339.524 2.255 10 0 EEAEHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000620909786 469947868 /nfs/dbraw/zinc/94/78/68/469947868.db2.gz KJBNVTMRBYOXST-JKSUJKDBSA-N 1 3 339.524 2.255 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](C(F)F)C1CCCCC1 ZINC000621508608 470058763 /nfs/dbraw/zinc/05/87/63/470058763.db2.gz IZZUCZMVGBJWOM-OAHLLOKOSA-N 1 3 348.482 2.335 10 0 EEAEHO CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000652522684 471304692 /nfs/dbraw/zinc/30/46/92/471304692.db2.gz RXWPJQGPARQVNE-LJQANCHMSA-N 1 3 346.519 2.388 10 0 EEAEHO CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000652522684 471304696 /nfs/dbraw/zinc/30/46/96/471304696.db2.gz RXWPJQGPARQVNE-LJQANCHMSA-N 1 3 346.519 2.388 10 0 EEAEHO CCN(C(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000663416399 471365029 /nfs/dbraw/zinc/36/50/29/471365029.db2.gz PBUBVWFQBFJPJO-MSOLQXFVSA-N 1 3 332.492 2.415 10 0 EEAEHO CCN(C(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC000663416399 471365037 /nfs/dbraw/zinc/36/50/37/471365037.db2.gz PBUBVWFQBFJPJO-MSOLQXFVSA-N 1 3 332.492 2.415 10 0 EEAEHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000659029377 471474027 /nfs/dbraw/zinc/47/40/27/471474027.db2.gz BPKHNBVACJVPQL-BZSNNMDCSA-N 1 3 344.459 2.096 10 0 EEAEHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000659029377 471474030 /nfs/dbraw/zinc/47/40/30/471474030.db2.gz BPKHNBVACJVPQL-BZSNNMDCSA-N 1 3 344.459 2.096 10 0 EEAEHO C[C@H](CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C[NH+]1CCCC1 ZINC000659033742 471476889 /nfs/dbraw/zinc/47/68/89/471476889.db2.gz XYFBMHLQLMBVJZ-CRAIPNDOSA-N 1 3 346.475 2.201 10 0 EEAEHO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659040688 471484053 /nfs/dbraw/zinc/48/40/53/471484053.db2.gz FXIGZFALJPBRBY-MAUKXSAKSA-N 1 3 346.475 2.201 10 0 EEAEHO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659040688 471484062 /nfs/dbraw/zinc/48/40/62/471484062.db2.gz FXIGZFALJPBRBY-MAUKXSAKSA-N 1 3 346.475 2.201 10 0 EEAEHO CN(c1ccccc1CN[C@H](C[NH3+])C(F)(F)F)C1CCN(C)CC1 ZINC000656194072 471630084 /nfs/dbraw/zinc/63/00/84/471630084.db2.gz DSLJZZULWSZGMD-MRXNPFEDSA-N 1 3 344.425 2.196 10 0 EEAEHO C[C@@H](NC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)C1=CCN(C)CC1 ZINC000659479134 471648230 /nfs/dbraw/zinc/64/82/30/471648230.db2.gz HLRBEJJCFXYNET-CRAIPNDOSA-N 1 3 334.508 2.058 10 0 EEAEHO C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCN2C(C)(C)C)c1 ZINC000660324043 471944154 /nfs/dbraw/zinc/94/41/54/471944154.db2.gz HEUPSXXIUYBQRT-QGZVFWFLSA-N 1 3 332.492 2.420 10 0 EEAEHO c1cc2c(c([C@H]3CCCN3C[C@@H]3CCC4(C[NH2+]C4)O3)c1)OCCO2 ZINC000662255291 472045324 /nfs/dbraw/zinc/04/53/24/472045324.db2.gz BUHMUGNHYKCYEV-GOEBONIOSA-N 1 3 330.428 2.116 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+](C)CC2CN(C)C2)CC1 ZINC000668539893 472164730 /nfs/dbraw/zinc/16/47/30/472164730.db2.gz PHURLZGVQPGLHU-UHFFFAOYSA-N 1 3 330.520 2.212 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+](C)CC2CN(C)C2)CC1 ZINC000668539893 472164734 /nfs/dbraw/zinc/16/47/34/472164734.db2.gz PHURLZGVQPGLHU-UHFFFAOYSA-N 1 3 330.520 2.212 10 0 EEAEHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCCn4nccc43)cc2)C1 ZINC000658142056 485571919 /nfs/dbraw/zinc/57/19/19/485571919.db2.gz YLPPFVBMOGXHSH-MSOLQXFVSA-N 1 3 326.444 2.074 10 0 EEAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCCn4nccc43)cc2)C1 ZINC000658142056 485571924 /nfs/dbraw/zinc/57/19/24/485571924.db2.gz YLPPFVBMOGXHSH-MSOLQXFVSA-N 1 3 326.444 2.074 10 0 EEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000132273561 529089293 /nfs/dbraw/zinc/08/92/93/529089293.db2.gz VZOUQXSKXAHNEH-NJAFHUGGSA-N 1 3 332.492 2.317 10 0 EEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000132273561 529089295 /nfs/dbraw/zinc/08/92/95/529089295.db2.gz VZOUQXSKXAHNEH-NJAFHUGGSA-N 1 3 332.492 2.317 10 0 EEAEHO CCC[NH+]1CCN(c2ccccc2CN2CC(C(C)(C)O)C2)CC1 ZINC000459610846 534935363 /nfs/dbraw/zinc/93/53/63/534935363.db2.gz NQBZRINCJZRVDC-UHFFFAOYSA-N 1 3 331.504 2.421 10 0 EEAEHO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000266298353 535677787 /nfs/dbraw/zinc/67/77/87/535677787.db2.gz IKQZXXTWKXPCMV-INIZCTEOSA-N 1 3 333.476 2.183 10 0 EEAEHO Cc1ncc(CN2CC[C@H](CNC(=O)CCCC[NH+](C)C)C2)s1 ZINC001691165736 1177663247 /nfs/dbraw/zinc/66/32/47/1177663247.db2.gz FHQCWARWUYOENL-OAHLLOKOSA-N 1 3 338.521 2.122 10 0 EEAEHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ccns1)N(C)C ZINC001267173619 1178406328 /nfs/dbraw/zinc/40/63/28/1178406328.db2.gz BDMADPDSAUWLAY-ZBFHGGJFSA-N 1 3 338.521 2.344 10 0 EEAEHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1ccns1)N(C)C ZINC001267173619 1178406331 /nfs/dbraw/zinc/40/63/31/1178406331.db2.gz BDMADPDSAUWLAY-ZBFHGGJFSA-N 1 3 338.521 2.344 10 0 EEAEHO Cc1cncc(CN2CC[C@H](CNC(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001481103360 1179744475 /nfs/dbraw/zinc/74/44/75/1179744475.db2.gz TVWBNCFDFAESLQ-QGZVFWFLSA-N 1 3 344.503 2.203 10 0 EEAEHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCCCC(F)(F)F)C1 ZINC001267776823 1180507153 /nfs/dbraw/zinc/50/71/53/1180507153.db2.gz GGRHFVWKUURGDX-UONOGXRCSA-N 1 3 335.414 2.203 10 0 EEAEHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCCCC(F)(F)F)C1 ZINC001267776823 1180507158 /nfs/dbraw/zinc/50/71/58/1180507158.db2.gz GGRHFVWKUURGDX-UONOGXRCSA-N 1 3 335.414 2.203 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCc1ccc(C)cc1)N(C)C ZINC001267963130 1180859963 /nfs/dbraw/zinc/85/99/63/1180859963.db2.gz GMZLTPDSDXUDOS-MOPGFXCFSA-N 1 3 331.504 2.458 10 0 EEAEHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001268413864 1182565947 /nfs/dbraw/zinc/56/59/47/1182565947.db2.gz IUWPUJNRSDCKAS-BEFAXECRSA-N 1 3 331.504 2.500 10 0 EEAEHO Cc1ncccc1C[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001482002788 1183119793 /nfs/dbraw/zinc/11/97/93/1183119793.db2.gz CNJCTTITUOKIJB-LJQANCHMSA-N 1 3 344.503 2.203 10 0 EEAEHO COCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001482023671 1183153190 /nfs/dbraw/zinc/15/31/90/1183153190.db2.gz YOIFGZMHEWIYSQ-BZSNNMDCSA-N 1 3 339.524 2.304 10 0 EEAEHO Cc1ncoc1C[NH+]1CCC(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001482042001 1183212273 /nfs/dbraw/zinc/21/22/73/1183212273.db2.gz APYSPZIMYQPDKC-UHFFFAOYSA-N 1 3 348.491 2.186 10 0 EEAEHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCC[C@H]2CCOC2)CC1)N(C)C ZINC001269997911 1184772322 /nfs/dbraw/zinc/77/23/22/1184772322.db2.gz RSILVWROJJILFL-XLAORIBOSA-N 1 3 339.524 2.160 10 0 EEAEHO Cc1ncc(CNC[C@H]2CCCN2C(=O)CCCC[NH+](C)C)s1 ZINC001270174933 1184898928 /nfs/dbraw/zinc/89/89/28/1184898928.db2.gz UTYRTUIPVCLOPL-OAHLLOKOSA-N 1 3 338.521 2.264 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCc1scnc1C ZINC001482291788 1185124500 /nfs/dbraw/zinc/12/45/00/1185124500.db2.gz HYVBUFVMGBDMJJ-UKRRQHHQSA-N 1 3 338.521 2.262 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCc1scnc1C ZINC001482291788 1185124501 /nfs/dbraw/zinc/12/45/01/1185124501.db2.gz HYVBUFVMGBDMJJ-UKRRQHHQSA-N 1 3 338.521 2.262 10 0 EEAEHO CC(C)OCC[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001271674355 1186366743 /nfs/dbraw/zinc/36/67/43/1186366743.db2.gz XJQOGNVLLDFAGG-IRXDYDNUSA-N 1 3 341.540 2.073 10 0 EEAEHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]CCC(F)(F)F ZINC001271686069 1186371227 /nfs/dbraw/zinc/37/12/27/1186371227.db2.gz WHKKIAJOMHRCRW-GJZGRUSLSA-N 1 3 349.441 2.355 10 0 EEAEHO CCc1nc(C)c(C[NH2+]CC2CC(NC(=O)C3(N(C)C)CCC3)C2)o1 ZINC001409264285 1188234438 /nfs/dbraw/zinc/23/44/38/1188234438.db2.gz HHODSHLZULYQML-UHFFFAOYSA-N 1 3 348.491 2.014 10 0 EEAEHO CN(C)Cc1cccc(C(=O)NC/C=C/C[NH2+]C[C@@H]2CCCOC2)c1 ZINC001483097672 1188472916 /nfs/dbraw/zinc/47/29/16/1188472916.db2.gz LAHPFRJQSYEGHB-WHLIDYPQSA-N 1 3 345.487 2.050 10 0 EEAEHO C[C@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)CN(C)C1CCC1 ZINC001272828563 1193566122 /nfs/dbraw/zinc/56/61/22/1193566122.db2.gz BVIQFOATKCZIKN-OAHLLOKOSA-N 1 3 345.487 2.186 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CCc1ccccc1Cl)N(C)C ZINC001483140821 1188701479 /nfs/dbraw/zinc/70/14/79/1188701479.db2.gz PXINWAHDYSBGTA-CZUORRHYSA-N 1 3 325.884 2.317 10 0 EEAEHO CC(C)OCC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001691628710 1188775365 /nfs/dbraw/zinc/77/53/65/1188775365.db2.gz AYTXGFFNJZXZKD-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H](C[NH2+]CCCc1cccc(F)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001483167405 1189003714 /nfs/dbraw/zinc/00/37/14/1189003714.db2.gz ZXBPVDKYCLEWPN-HZPDHXFCSA-N 1 3 335.467 2.194 10 0 EEAEHO C[C@H](CNCc1ccc(Cl)nc1)NC(=O)CC[NH+]1CCCCC1 ZINC001483198221 1189086150 /nfs/dbraw/zinc/08/61/50/1189086150.db2.gz NOBSZDMYZGMBNE-CQSZACIVSA-N 1 3 338.883 2.205 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)NCc2cncc(C)c2)C1 ZINC001485914345 1193638527 /nfs/dbraw/zinc/63/85/27/1193638527.db2.gz YHRCTBAZWGAGPD-PKOBYXMFSA-N 1 3 346.519 2.449 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)NCc2cncc(C)c2)C1 ZINC001485914345 1193638528 /nfs/dbraw/zinc/63/85/28/1193638528.db2.gz YHRCTBAZWGAGPD-PKOBYXMFSA-N 1 3 346.519 2.449 10 0 EEAEHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@H+](C)CC1CCOCC1 ZINC001409651518 1190150999 /nfs/dbraw/zinc/15/09/99/1190150999.db2.gz WZUVOZBZNKGYIQ-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@@H+](C)CC1CCOCC1 ZINC001409651518 1190151007 /nfs/dbraw/zinc/15/10/07/1190151007.db2.gz WZUVOZBZNKGYIQ-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)Cc1cc2ccccc2o1 ZINC001409651301 1190151036 /nfs/dbraw/zinc/15/10/36/1190151036.db2.gz SDVAQUXPVZZHRY-HNNXBMFYSA-N 1 3 341.455 2.465 10 0 EEAEHO Cc1ccc(CN(C)C[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1F ZINC001483407338 1190453317 /nfs/dbraw/zinc/45/33/17/1190453317.db2.gz LMLKYEYHSUSCAA-OAHLLOKOSA-N 1 3 333.451 2.166 10 0 EEAEHO COc1ccc(C)cc1CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001486085355 1193677342 /nfs/dbraw/zinc/67/73/42/1193677342.db2.gz QSFUTJDUEQHGAW-DOTOQJQBSA-N 1 3 333.476 2.034 10 0 EEAEHO COCCCCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001486090456 1193678652 /nfs/dbraw/zinc/67/86/52/1193678652.db2.gz KNAODBLEUASLSY-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ncoc1C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001483437897 1190479333 /nfs/dbraw/zinc/47/93/33/1190479333.db2.gz QSOWRRNBPJRMBT-CVEARBPZSA-N 1 3 348.491 2.232 10 0 EEAEHO CN(CCCNCc1ccncc1Cl)C(=O)C1(C[NH+](C)C)CC1 ZINC001483488577 1190508202 /nfs/dbraw/zinc/50/82/02/1190508202.db2.gz UJJOEYGEUHCGHY-UHFFFAOYSA-N 1 3 338.883 2.015 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001484122689 1191222223 /nfs/dbraw/zinc/22/22/23/1191222223.db2.gz UIPVFRIIJUUHAF-DOMZBBRYSA-N 1 3 336.307 2.474 10 0 EEAEHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccn1)N(C)C ZINC001484390788 1191325614 /nfs/dbraw/zinc/32/56/14/1191325614.db2.gz UIFYQVBDBYABOE-QXCFHYIPSA-N 1 3 344.503 2.281 10 0 EEAEHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccn1)N(C)C ZINC001484390788 1191325616 /nfs/dbraw/zinc/32/56/16/1191325616.db2.gz UIFYQVBDBYABOE-QXCFHYIPSA-N 1 3 344.503 2.281 10 0 EEAEHO COCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001484567145 1191420724 /nfs/dbraw/zinc/42/07/24/1191420724.db2.gz FAMWUXGAMQGMEK-KZNAEPCWSA-N 1 3 339.524 2.160 10 0 EEAEHO Cc1ncc(CN[C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)cn1 ZINC001485147775 1191665581 /nfs/dbraw/zinc/66/55/81/1191665581.db2.gz QOTVCYKEGPGSLO-GJZGRUSLSA-N 1 3 347.507 2.032 10 0 EEAEHO Cc1ncsc1CN[C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485201991 1191683902 /nfs/dbraw/zinc/68/39/02/1191683902.db2.gz ZHHBTGLERYETMV-OLZOCXBDSA-N 1 3 338.521 2.166 10 0 EEAEHO C[C@H](c1ccc(F)c(F)c1)N(C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001485347316 1191749278 /nfs/dbraw/zinc/74/92/78/1191749278.db2.gz HEAAMPCMUWVOND-QWHCGFSZSA-N 1 3 327.419 2.414 10 0 EEAEHO CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC([NH2+]CCCF)C1 ZINC001486476806 1193990173 /nfs/dbraw/zinc/99/01/73/1193990173.db2.gz ONOZYVPUGYGIFC-KVULBXGLSA-N 1 3 331.451 2.138 10 0 EEAEHO CCCN(C)CC(=O)NCC1=CC[N@H+](CC[C@H]2CCCCO2)CC1 ZINC001486519969 1194041143 /nfs/dbraw/zinc/04/11/43/1194041143.db2.gz YFKREXOOVKGBFZ-GOSISDBHSA-N 1 3 337.508 2.036 10 0 EEAEHO CCCN(C)CC(=O)NCC1=CC[N@@H+](CC[C@H]2CCCCO2)CC1 ZINC001486519969 1194041147 /nfs/dbraw/zinc/04/11/47/1194041147.db2.gz YFKREXOOVKGBFZ-GOSISDBHSA-N 1 3 337.508 2.036 10 0 EEAEHO COc1cc(C[NH2+][C@H](C)CN(C)C(=O)CN2CC[C@@H](C)C2)ccc1C ZINC001410439491 1197900566 /nfs/dbraw/zinc/90/05/66/1197900566.db2.gz RGWYTVKGRPPUEX-NVXWUHKLSA-N 1 3 347.503 2.282 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C[C@H]1C ZINC001410849918 1198500124 /nfs/dbraw/zinc/50/01/24/1198500124.db2.gz LNSRZOFYTRYXMY-WBVHZDCISA-N 1 3 349.523 2.057 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2N(C)C)[C@@H]1C ZINC001410864181 1198514694 /nfs/dbraw/zinc/51/46/94/1198514694.db2.gz QGHZZIMMQPNICU-FUHWJXTLSA-N 1 3 346.519 2.172 10 0 EEAEHO C[NH+](C)CC1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCCC1 ZINC000810677235 1199657768 /nfs/dbraw/zinc/65/77/68/1199657768.db2.gz IXJNLMZTPMTYAZ-GOSISDBHSA-N 1 3 327.488 2.437 10 0 EEAEHO CCCN(C)CC(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC000870182682 1200538887 /nfs/dbraw/zinc/53/88/87/1200538887.db2.gz HRXIUCDIQDAILN-UHFFFAOYSA-N 1 3 329.488 2.334 10 0 EEAEHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868186379 1201759859 /nfs/dbraw/zinc/75/98/59/1201759859.db2.gz RKZIODUGLADZLV-OKZBNKHCSA-N 1 3 346.475 2.076 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC/C=C/C[NH2+]CCc2ccccc2Cl)C1 ZINC001274368000 1205011395 /nfs/dbraw/zinc/01/13/95/1205011395.db2.gz ILHJOTCAVZUACE-DWTRPJMMSA-N 1 3 349.906 2.486 10 0 EEAEHO CCc1ccccc1CC[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001274920531 1205210401 /nfs/dbraw/zinc/21/04/01/1205210401.db2.gz ZQAQDNSLGPHODF-IAGOWNOFSA-N 1 3 331.504 2.228 10 0 EEAEHO CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001275054430 1205245632 /nfs/dbraw/zinc/24/56/32/1205245632.db2.gz SIABLTZCKLXAFZ-IBGZPJMESA-N 1 3 347.503 2.369 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCOc1ccc(C)cc1 ZINC001275460063 1205370985 /nfs/dbraw/zinc/37/09/85/1205370985.db2.gz YYFJLNCLPHSABC-HKUYNNGSSA-N 1 3 347.503 2.343 10 0 EEAEHO CN(CCC[NH2+][C@H]1CCc2ccc(F)cc21)C(=O)[C@H]1CCCN1C ZINC001275914901 1205583792 /nfs/dbraw/zinc/58/37/92/1205583792.db2.gz GOFSPWWTEJXBCQ-ZWKOTPCHSA-N 1 3 333.451 2.345 10 0 EEAEHO Cc1nc(CNCCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c(C)s1 ZINC001276057822 1205755752 /nfs/dbraw/zinc/75/57/52/1205755752.db2.gz GAYNVHUWTSQEDZ-INIZCTEOSA-N 1 3 340.537 2.284 10 0 EEAEHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)C(C)(C)CO)cc2)CC1 ZINC000924693431 1206019213 /nfs/dbraw/zinc/01/92/13/1206019213.db2.gz ZEGVGMCHMIQULW-KRWDZBQOSA-N 1 3 333.520 2.321 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000925326831 1206097891 /nfs/dbraw/zinc/09/78/91/1206097891.db2.gz NHIZITZWEFZXGI-YQVWRLOYSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000925326831 1206097894 /nfs/dbraw/zinc/09/78/94/1206097894.db2.gz NHIZITZWEFZXGI-YQVWRLOYSA-N 1 3 344.503 2.385 10 0 EEAEHO [NH3+][C@@H]1C[C@H](NCCN2CCN(c3cccc(Cl)c3)CC2)C12CCC2 ZINC000925583988 1206132083 /nfs/dbraw/zinc/13/20/83/1206132083.db2.gz ONQDHTIKRODTES-MSOLQXFVSA-N 1 3 348.922 2.322 10 0 EEAEHO Cc1ccc(C(=O)NCCN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925595087 1206133590 /nfs/dbraw/zinc/13/35/90/1206133590.db2.gz FUGSJHCRCDVZHE-OALUTQOASA-N 1 3 329.488 2.483 10 0 EEAEHO Brc1cnn(CCN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925671328 1206142056 /nfs/dbraw/zinc/14/20/56/1206142056.db2.gz PFQCNSWFQDFDSR-LSDHHAIUSA-N 1 3 341.297 2.404 10 0 EEAEHO Brc1cnn(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)c1 ZINC000925671328 1206142062 /nfs/dbraw/zinc/14/20/62/1206142062.db2.gz PFQCNSWFQDFDSR-LSDHHAIUSA-N 1 3 341.297 2.404 10 0 EEAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC000925735631 1206147635 /nfs/dbraw/zinc/14/76/35/1206147635.db2.gz HRSWWPTZLDGGOK-WMLDXEAASA-N 1 3 333.476 2.475 10 0 EEAEHO O=C1O[C@H](CN[C@@H]2CCc3c2cc(F)cc3F)CC12CC[NH2+]CC2 ZINC000925853644 1206161525 /nfs/dbraw/zinc/16/15/25/1206161525.db2.gz QDMAUMJASFFZOP-BLLLJJGKSA-N 1 3 336.382 2.227 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)N(CC[NH2+]C)C(C)C)cc2)CC1 ZINC000925913309 1206167358 /nfs/dbraw/zinc/16/73/58/1206167358.db2.gz VRJMIRAQGIGGTG-UHFFFAOYSA-N 1 3 347.507 2.290 10 0 EEAEHO c1ccc(C[N@H+]2CC[C@H]3CN(C[C@@H]4C[C@@H]5COC[C@H]5O4)C[C@H]3C2)cc1 ZINC000931747614 1207455280 /nfs/dbraw/zinc/45/52/80/1207455280.db2.gz TZBVMALYUFLHPH-XIYVOTBMSA-N 1 3 342.483 2.244 10 0 EEAEHO c1ccc(C[N@@H+]2CC[C@H]3CN(C[C@@H]4C[C@@H]5COC[C@H]5O4)C[C@H]3C2)cc1 ZINC000931747614 1207455283 /nfs/dbraw/zinc/45/52/83/1207455283.db2.gz TZBVMALYUFLHPH-XIYVOTBMSA-N 1 3 342.483 2.244 10 0 EEAEHO [NH3+]CCCCCCCN1CCN(c2cccc3[nH]c(=O)[nH]c32)CC1 ZINC000903576984 1241003250 /nfs/dbraw/zinc/00/32/50/1241003250.db2.gz BTWKKRXZUXVQOI-UHFFFAOYSA-N 1 3 331.464 2.300 10 0 EEAEHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCCC[C@@H](C2CCOCC2)C1 ZINC000903948563 1242666725 /nfs/dbraw/zinc/66/67/25/1242666725.db2.gz RGFWTEKWISIZHZ-MSOLQXFVSA-N 1 3 347.507 2.231 10 0 EEAEHO FC1(F)CCNC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000903957034 1242715466 /nfs/dbraw/zinc/71/54/66/1242715466.db2.gz PBQACKBAGHDNCK-GFCCVEGCSA-N 1 3 341.793 2.255 10 0 EEAEHO C[C@]1([C@@H]2CCC[N@H+](Cc3cc4c(s3)CCNC4)C2)COC(=O)N1 ZINC000903986438 1242880609 /nfs/dbraw/zinc/88/06/09/1242880609.db2.gz JQZSELOOPMERDU-CXAGYDPISA-N 1 3 335.473 2.104 10 0 EEAEHO C[C@]1([C@@H]2CCC[N@@H+](Cc3cc4c(s3)CCNC4)C2)COC(=O)N1 ZINC000903986438 1242880619 /nfs/dbraw/zinc/88/06/19/1242880619.db2.gz JQZSELOOPMERDU-CXAGYDPISA-N 1 3 335.473 2.104 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC001491083886 1258650277 /nfs/dbraw/zinc/65/02/77/1258650277.db2.gz XWTYMGCWIIGXIJ-SCTDSRPQSA-N 1 3 345.487 2.177 10 0 EEAEHO C[NH+](C)CCCCC(=O)NC[C@H]1CCCCN1C[C@@H]1CCCCO1 ZINC001491231088 1258833857 /nfs/dbraw/zinc/83/38/57/1258833857.db2.gz RDFINLINFDKNJL-MSOLQXFVSA-N 1 3 339.524 2.258 10 0 EEAEHO CCN(CCNCc1cnc(C)s1)C(=O)CC[NH+]1CCCCC1 ZINC001273765306 1285121374 /nfs/dbraw/zinc/12/13/74/1285121374.db2.gz MZJIMKGPPAIIFQ-UHFFFAOYSA-N 1 3 338.521 2.266 10 0 EEAEHO Cc1oncc1CN[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001490740822 1291655030 /nfs/dbraw/zinc/65/50/30/1291655030.db2.gz GWOWTHOCHWZVIH-MSOLQXFVSA-N 1 3 348.491 2.088 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CCCC1 ZINC001278276499 1308949678 /nfs/dbraw/zinc/94/96/78/1308949678.db2.gz WGXLERWHSNLHBE-DLBZAZTESA-N 1 3 327.488 2.483 10 0 EEAEHO CC(C)(C(=O)N1CC[C@](C)(C[NH2+]CCCF)C1)N1CCCCC1 ZINC001278500081 1310848474 /nfs/dbraw/zinc/84/84/74/1310848474.db2.gz YJMPQRHHPGUUIF-GOSISDBHSA-N 1 3 327.488 2.439 10 0 EEAEHO Cc1ncc(CN[C@@H](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001279039407 1319065004 /nfs/dbraw/zinc/06/50/04/1319065004.db2.gz VOLQYQIAPREBHV-GOEBONIOSA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+]CCCc2ccc(C)cc2)C1 ZINC001265568110 1323223426 /nfs/dbraw/zinc/22/34/26/1323223426.db2.gz JURYSNPVGQURPT-HDICACEKSA-N 1 3 340.471 2.439 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001265619620 1323272488 /nfs/dbraw/zinc/27/24/88/1323272488.db2.gz QDEQMJMCPMJSGD-CHWSQXEVSA-N 1 3 334.291 2.228 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC001266203683 1323767773 /nfs/dbraw/zinc/76/77/73/1323767773.db2.gz HYXCFQYGEOECOW-GDBMZVCRSA-N 1 3 336.505 2.098 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1cncs1 ZINC001266203683 1323767775 /nfs/dbraw/zinc/76/77/75/1323767775.db2.gz HYXCFQYGEOECOW-GDBMZVCRSA-N 1 3 336.505 2.098 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001279586925 1323947729 /nfs/dbraw/zinc/94/77/29/1323947729.db2.gz KGMFTQVKTVOZEH-HOTGVXAUSA-N 1 3 348.491 2.179 10 0 EEAEHO CCOCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001279586925 1323947733 /nfs/dbraw/zinc/94/77/33/1323947733.db2.gz KGMFTQVKTVOZEH-HOTGVXAUSA-N 1 3 348.491 2.179 10 0 EEAEHO C[NH+](C)CCC(=O)NCC1=CCN(CCCCC(F)(F)F)CC1 ZINC001279628740 1323965380 /nfs/dbraw/zinc/96/53/80/1323965380.db2.gz MXZDEXBTRUMGHR-UHFFFAOYSA-N 1 3 335.414 2.419 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ncccc2C)C1)N(C)C ZINC001280094677 1324083928 /nfs/dbraw/zinc/08/39/28/1324083928.db2.gz NCAOTKPEKGRGGE-FUHWJXTLSA-N 1 3 332.492 2.058 10 0 EEAEHO CN(CC(=O)NC1(C[NH2+]CC2=CCCCC2)CCOCC1)C1CCC1 ZINC001281239842 1324912879 /nfs/dbraw/zinc/91/28/79/1324912879.db2.gz RNRYIIWJGXKRRQ-UHFFFAOYSA-N 1 3 349.519 2.226 10 0 EEAEHO O=C(N[C@H](CNCCF)C1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001276641288 1324939353 /nfs/dbraw/zinc/93/93/53/1324939353.db2.gz LESWAWKHSWXIAN-IAGOWNOFSA-N 1 3 325.472 2.237 10 0 EEAEHO O=C(N[C@H](CNCCF)C1CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001276641288 1324939356 /nfs/dbraw/zinc/93/93/56/1324939356.db2.gz LESWAWKHSWXIAN-IAGOWNOFSA-N 1 3 325.472 2.237 10 0 EEAEHO C[C@H](CCC[NH2+][C@@H](C)c1cnccn1)NC(=O)CN1CCC(C)CC1 ZINC001283260437 1325976616 /nfs/dbraw/zinc/97/66/16/1325976616.db2.gz NCGFZFJPRQHXCC-SJORKVTESA-N 1 3 347.507 2.144 10 0 EEAEHO Cc1oncc1C[N@H+]1CCC[C@H]1CCCNC(=O)CN(C)C1CCC1 ZINC001492159293 1331023014 /nfs/dbraw/zinc/02/30/14/1331023014.db2.gz XLCCUKPHKPZTOI-GOSISDBHSA-N 1 3 348.491 2.328 10 0 EEAEHO 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/nfs/dbraw/zinc/75/76/80/466757680.db2.gz XNNJAXOIRLFTLO-QZTJIDSGSA-N 1 3 332.492 2.496 10 0 EEAEHO O=C1C[C@@H](c2ccccc2)N(Cc2cccc3c2CC[NH2+]C3)CCN1 ZINC000662252208 472043539 /nfs/dbraw/zinc/04/35/39/472043539.db2.gz MGTQHDPGQWYWSB-FQEVSTJZSA-N 1 3 335.451 2.396 10 0 EEAEHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)N(C)C)cc1 ZINC000417318963 466832782 /nfs/dbraw/zinc/83/27/82/466832782.db2.gz ZWINQZGYSGCWFY-CEXWTWQISA-N 1 3 344.503 2.239 10 0 EEAEHO O=C(NC1CC([NH+]2CCCCC2)C1)C1C[C@H](c2ccccc2)OC1=O ZINC000377852889 467153306 /nfs/dbraw/zinc/15/33/06/467153306.db2.gz UXVKDKRKOSYLJE-OPQOLIRYSA-N 1 3 342.439 2.424 10 0 EEAEHO O[C@H](CNC[C@H]1CCCCN1Cc1ccccc1)C[NH+]1CCCC1 ZINC000379651469 467369896 /nfs/dbraw/zinc/36/98/96/467369896.db2.gz UNSUOZQXYMQTHO-WOJBJXKFSA-N 1 3 331.504 2.087 10 0 EEAEHO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415065742 467479534 /nfs/dbraw/zinc/47/95/34/467479534.db2.gz HNGGZTHTOUJVSL-KGLIPLIRSA-N 1 3 336.505 2.135 10 0 EEAEHO NC[C@@H]1c2ccccc2CCN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000514861353 467959412 /nfs/dbraw/zinc/95/94/12/467959412.db2.gz UJFZSGILGLYSIE-LJQANCHMSA-N 1 3 342.487 2.129 10 0 EEAEHO [NH3+]C1CCC(OCC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000567775207 468207341 /nfs/dbraw/zinc/20/73/41/468207341.db2.gz DHKOHMKOZXAROE-CTWPCTMYSA-N 1 3 345.487 2.226 10 0 EEAEHO NC[C@@H]1c2ccccc2CCN1C(=O)NCCC[NH+]1CCCCC1 ZINC000570395619 468633584 /nfs/dbraw/zinc/63/35/84/468633584.db2.gz RWBDUJBXUUDURB-GOSISDBHSA-N 1 3 330.476 2.130 10 0 EEAEHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000584478050 468882257 /nfs/dbraw/zinc/88/22/57/468882257.db2.gz FSOLPKJCLGQEOM-JKSUJKDBSA-N 1 3 330.476 2.065 10 0 EEAEHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000584478050 468882261 /nfs/dbraw/zinc/88/22/61/468882261.db2.gz FSOLPKJCLGQEOM-JKSUJKDBSA-N 1 3 330.476 2.065 10 0 EEAEHO C[C@H]1CC[N@H+](CC(=O)N2CCN(c3ccnc4ccccc43)CC2)C1 ZINC000614656908 469008210 /nfs/dbraw/zinc/00/82/10/469008210.db2.gz HAYZRFMIDCNKOZ-INIZCTEOSA-N 1 3 338.455 2.225 10 0 EEAEHO C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ccnc4ccccc43)CC2)C1 ZINC000614656908 469008216 /nfs/dbraw/zinc/00/82/16/469008216.db2.gz HAYZRFMIDCNKOZ-INIZCTEOSA-N 1 3 338.455 2.225 10 0 EEAEHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@H]1n1cccn1 ZINC000562685701 469035855 /nfs/dbraw/zinc/03/58/55/469035855.db2.gz MABFZPBYWNQLSI-GUDVDZBRSA-N 1 3 341.459 2.255 10 0 EEAEHO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCN1CCc3ccccc3C1)C2 ZINC000615607490 469281749 /nfs/dbraw/zinc/28/17/49/469281749.db2.gz YYSYPRPUSJPGFI-OAQYLSRUSA-N 1 3 341.499 2.379 10 0 EEAEHO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCN1CCc3ccccc3C1)C2 ZINC000615607490 469281751 /nfs/dbraw/zinc/28/17/51/469281751.db2.gz YYSYPRPUSJPGFI-OAQYLSRUSA-N 1 3 341.499 2.379 10 0 EEAEHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000617007260 469568766 /nfs/dbraw/zinc/56/87/66/469568766.db2.gz OYMUHNVRAWGEOC-ZWKOTPCHSA-N 1 3 329.488 2.498 10 0 EEAEHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000617007260 469568769 /nfs/dbraw/zinc/56/87/69/469568769.db2.gz OYMUHNVRAWGEOC-ZWKOTPCHSA-N 1 3 329.488 2.498 10 0 EEAEHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(OC)c(OC3CC3)c2)CC1 ZINC000623357603 469633854 /nfs/dbraw/zinc/63/38/54/469633854.db2.gz XQGBSQPOLGKEQZ-INIZCTEOSA-N 1 3 347.503 2.352 10 0 EEAEHO C[C@H](CN1CCN(c2ccccn2)CC1)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623424101 469653311 /nfs/dbraw/zinc/65/33/11/469653311.db2.gz BEFXVUVDQZEPGS-QZTJIDSGSA-N 1 3 345.535 2.055 10 0 EEAEHO C[C@H](CN1CCN(c2ccccn2)CC1)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623424101 469653316 /nfs/dbraw/zinc/65/33/16/469653316.db2.gz BEFXVUVDQZEPGS-QZTJIDSGSA-N 1 3 345.535 2.055 10 0 EEAEHO CN1CC[C@@H]([NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623428917 469653976 /nfs/dbraw/zinc/65/39/76/469653976.db2.gz DXDBWUQUYQDPEB-UYAOXDASSA-N 1 3 331.504 2.086 10 0 EEAEHO Cc1ccc(F)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1F ZINC000617506724 469706478 /nfs/dbraw/zinc/70/64/78/469706478.db2.gz XFSOERMBJWHNTK-ZDUSSCGKSA-N 1 3 327.419 2.275 10 0 EEAEHO Cc1ccc(F)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1F ZINC000617506724 469706483 /nfs/dbraw/zinc/70/64/83/469706483.db2.gz XFSOERMBJWHNTK-ZDUSSCGKSA-N 1 3 327.419 2.275 10 0 EEAEHO CCN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@H]1CCN(CC)C1 ZINC000617924281 469838921 /nfs/dbraw/zinc/83/89/21/469838921.db2.gz RLLCCMFCURPHIH-IRXDYDNUSA-N 1 3 339.549 2.147 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)C[NH2+]1 ZINC000627206577 469844935 /nfs/dbraw/zinc/84/49/35/469844935.db2.gz HKHAJTXDLXZNPH-UHOFOFEASA-N 1 3 338.883 2.382 10 0 EEAEHO C[C@H]1CCCCN1CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000624138719 469853453 /nfs/dbraw/zinc/85/34/53/469853453.db2.gz WTNMRDBMIPEGOB-YTQUADARSA-N 1 3 329.488 2.322 10 0 EEAEHO C[C@H]1CCCCN1CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000624138719 469853457 /nfs/dbraw/zinc/85/34/57/469853457.db2.gz WTNMRDBMIPEGOB-YTQUADARSA-N 1 3 329.488 2.322 10 0 EEAEHO O=C1c2ccccc2C(=O)N1CCCCN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886125 470189504 /nfs/dbraw/zinc/18/95/04/470189504.db2.gz GOMKOILDQURPSQ-YJBOKZPZSA-N 1 3 341.455 2.137 10 0 EEAEHO O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCC[C@H]2CNCC[C@@H]21 ZINC000631886125 470189505 /nfs/dbraw/zinc/18/95/05/470189505.db2.gz GOMKOILDQURPSQ-YJBOKZPZSA-N 1 3 341.455 2.137 10 0 EEAEHO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CCC[C@H]2CNCC[C@@H]21 ZINC000631886125 470189506 /nfs/dbraw/zinc/18/95/06/470189506.db2.gz GOMKOILDQURPSQ-YJBOKZPZSA-N 1 3 341.455 2.137 10 0 EEAEHO O[C@]1(CNCc2ccc3cncn3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000634715983 470285425 /nfs/dbraw/zinc/28/54/25/470285425.db2.gz MVGKVSLFZJKFES-FQEVSTJZSA-N 1 3 336.439 2.061 10 0 EEAEHO O[C@]1(CNCc2ccc3cncn3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715983 470285427 /nfs/dbraw/zinc/28/54/27/470285427.db2.gz MVGKVSLFZJKFES-FQEVSTJZSA-N 1 3 336.439 2.061 10 0 EEAEHO CCN1CCN(c2ccc(-c3nc([C@H]4CCC[NH2+]4)no3)cc2)CC1 ZINC000647149027 470841364 /nfs/dbraw/zinc/84/13/64/470841364.db2.gz BTFYJEQDAYTYDV-MRXNPFEDSA-N 1 3 327.432 2.303 10 0 EEAEHO CC[NH+]1CCN(c2ccc(-c3nc([C@H]4CCCN4)no3)cc2)CC1 ZINC000647149027 470841368 /nfs/dbraw/zinc/84/13/68/470841368.db2.gz BTFYJEQDAYTYDV-MRXNPFEDSA-N 1 3 327.432 2.303 10 0 EEAEHO COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc2c1OCO2 ZINC000650722674 470950765 /nfs/dbraw/zinc/95/07/65/470950765.db2.gz ZCWAKCLDQLOSQB-XHSDSOJGSA-N 1 3 348.443 2.285 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000654664598 471120003 /nfs/dbraw/zinc/12/00/03/471120003.db2.gz FOLRTAMUUNIXKB-NSHGMRRFSA-N 1 3 344.503 2.290 10 0 EEAEHO CN(CCCN(C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)Cc1ccco1 ZINC000654663775 471120273 /nfs/dbraw/zinc/12/02/73/471120273.db2.gz XCMNWPODQNJNGJ-IYBDPMFKSA-N 1 3 336.480 2.083 10 0 EEAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cnc2ccc(Cl)cn12 ZINC000657574519 471173700 /nfs/dbraw/zinc/17/37/00/471173700.db2.gz XKRYXLRLBLGXNP-AWEZNQCLSA-N 1 3 337.899 2.349 10 0 EEAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1c[nH]c(-c2ccccc2)n1 ZINC000657574540 471173843 /nfs/dbraw/zinc/17/38/43/471173843.db2.gz YRYZDSMWCPTGNZ-INIZCTEOSA-N 1 3 329.492 2.438 10 0 EEAEHO NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000651939901 471176600 /nfs/dbraw/zinc/17/66/00/471176600.db2.gz UPZHUAOAROKKPX-ZSXDVEMLSA-N 1 3 327.472 2.141 10 0 EEAEHO [NH3+]CC1(CCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000652131724 471241584 /nfs/dbraw/zinc/24/15/84/471241584.db2.gz KOQFQPRONQSYJL-QGZVFWFLSA-N 1 3 330.476 2.079 10 0 EEAEHO COC[C@H](CC1CCOCC1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000657918182 471248060 /nfs/dbraw/zinc/24/80/60/471248060.db2.gz BAMXOFCVNMNFTK-LMMKCTJWSA-N 1 3 342.524 2.297 10 0 EEAEHO C[C@H](C1CC1)N(C(=O)CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)C1CC1 ZINC000652361671 471279909 /nfs/dbraw/zinc/27/99/09/471279909.db2.gz MCYWHUBXYURTIX-HYEGPXJVSA-N 1 3 349.519 2.137 10 0 EEAEHO C[C@H](C1CC1)N(C(=O)CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)C1CC1 ZINC000652361673 471280159 /nfs/dbraw/zinc/28/01/59/471280159.db2.gz MCYWHUBXYURTIX-OPNNQBFTSA-N 1 3 349.519 2.137 10 0 EEAEHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000652361512 471280265 /nfs/dbraw/zinc/28/02/65/471280265.db2.gz JJOPQAFSMCBPEG-ATZDWAIDSA-N 1 3 349.519 2.281 10 0 EEAEHO CN1CCC[C@H](NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000652417914 471288705 /nfs/dbraw/zinc/28/87/05/471288705.db2.gz LCOHMSARGHETKJ-SFHVURJKSA-N 1 3 344.503 2.435 10 0 EEAEHO CN1CCC[C@H](NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC000652417914 471288708 /nfs/dbraw/zinc/28/87/08/471288708.db2.gz LCOHMSARGHETKJ-SFHVURJKSA-N 1 3 344.503 2.435 10 0 EEAEHO CCc1ncsc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666416232 471394309 /nfs/dbraw/zinc/39/43/09/471394309.db2.gz FVXKTYMEPPEFIW-LBPRGKRZSA-N 1 3 327.498 2.099 10 0 EEAEHO CCc1ncsc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666416232 471394312 /nfs/dbraw/zinc/39/43/12/471394312.db2.gz FVXKTYMEPPEFIW-LBPRGKRZSA-N 1 3 327.498 2.099 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ZINC000655917464 471538616 /nfs/dbraw/zinc/53/86/16/471538616.db2.gz RTLZXJPEWVFGIA-VXGBXAGGSA-N 1 3 338.418 2.076 10 0 EEAEHO [NH3+]Cc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1 ZINC000659307974 471574869 /nfs/dbraw/zinc/57/48/69/471574869.db2.gz SDPMTQOQMWYEJJ-QWHCGFSZSA-N 1 3 332.322 2.068 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CCN1C ZINC000659578626 471685131 /nfs/dbraw/zinc/68/51/31/471685131.db2.gz FCSLXQSHDCUOIG-QXCFHYIPSA-N 1 3 344.503 2.256 10 0 EEAEHO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000656698166 471810504 /nfs/dbraw/zinc/81/05/04/471810504.db2.gz JWOSCCFMFVVZLH-AZUAARDMSA-N 1 3 333.520 2.284 10 0 EEAEHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000656698166 471810509 /nfs/dbraw/zinc/81/05/09/471810509.db2.gz JWOSCCFMFVVZLH-AZUAARDMSA-N 1 3 333.520 2.284 10 0 EEAEHO C[C@H](Cc1ccco1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000667641738 471854439 /nfs/dbraw/zinc/85/44/39/471854439.db2.gz BRYKPWHOALZTPX-OAHLLOKOSA-N 1 3 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ZINC001484910045 1191571138 /nfs/dbraw/zinc/57/11/38/1191571138.db2.gz RNLJOAZXZWXLCZ-SWLSCSKDSA-N 1 3 338.521 2.037 10 0 EEAEHO CC(C)N1CCc2ccccc2[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485006422 1191612771 /nfs/dbraw/zinc/61/27/71/1191612771.db2.gz SEVSQYHMGZEVAG-VQIMIIECSA-N 1 3 329.488 2.452 10 0 EEAEHO CC(C)N1CCc2ccccc2[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001485006422 1191612773 /nfs/dbraw/zinc/61/27/73/1191612773.db2.gz SEVSQYHMGZEVAG-VQIMIIECSA-N 1 3 329.488 2.452 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccns1 ZINC001273051334 1194355774 /nfs/dbraw/zinc/35/57/74/1194355774.db2.gz BDNKTWQXUZHANC-ZBFHGGJFSA-N 1 3 338.521 2.390 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCc2cnc(C)s2)C[C@@H]1C ZINC001410880535 1198528861 /nfs/dbraw/zinc/52/88/61/1198528861.db2.gz MNCDBUCCURYGGP-DZGCQCFKSA-N 1 3 338.521 2.262 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCc2cnc(C)s2)C[C@@H]1C ZINC001410880535 1198528865 /nfs/dbraw/zinc/52/88/65/1198528865.db2.gz MNCDBUCCURYGGP-DZGCQCFKSA-N 1 3 338.521 2.262 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCc2cnc(C)s2)C[C@H]1C ZINC001410880546 1198529264 /nfs/dbraw/zinc/52/92/64/1198529264.db2.gz MNCDBUCCURYGGP-HIFRSBDPSA-N 1 3 338.521 2.262 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2cnc(C)s2)C[C@H]1C ZINC001410880546 1198529267 /nfs/dbraw/zinc/52/92/67/1198529267.db2.gz MNCDBUCCURYGGP-HIFRSBDPSA-N 1 3 338.521 2.262 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001410904052 1198561107 /nfs/dbraw/zinc/56/11/07/1198561107.db2.gz KZEMIGLQLACJDH-IEBWSBKVSA-N 1 3 330.476 2.037 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001410904052 1198561109 /nfs/dbraw/zinc/56/11/09/1198561109.db2.gz KZEMIGLQLACJDH-IEBWSBKVSA-N 1 3 330.476 2.037 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCc2ccccc2)C(C)(C)C1 ZINC001411105974 1198796725 /nfs/dbraw/zinc/79/67/25/1198796725.db2.gz LWLUZRIAPZHIOR-SFHVURJKSA-N 1 3 331.504 2.398 10 0 EEAEHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000874828967 1199022727 /nfs/dbraw/zinc/02/27/27/1199022727.db2.gz YZKFOVTYSKBWEF-XWSJACJDSA-N 1 3 327.472 2.027 10 0 EEAEHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000874828967 1199022730 /nfs/dbraw/zinc/02/27/30/1199022730.db2.gz YZKFOVTYSKBWEF-XWSJACJDSA-N 1 3 327.472 2.027 10 0 EEAEHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000813113217 1201123696 /nfs/dbraw/zinc/12/36/96/1201123696.db2.gz CCKLUTGPTYHEHI-KDOFPFPSSA-N 1 3 327.488 2.388 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc(Cl)n1 ZINC000868036265 1201731631 /nfs/dbraw/zinc/73/16/31/1201731631.db2.gz WHEMCOITLVNQET-BPLDGKMQSA-N 1 3 336.867 2.034 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@]34C[C@H]3CCC4)CC2)CC1 ZINC000885995064 1202462193 /nfs/dbraw/zinc/46/21/93/1202462193.db2.gz HEECKUUTCCXQEC-XLIONFOSSA-N 1 3 333.520 2.489 10 0 EEAEHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1CC[NH2+]CCOC1CCC1 ZINC001691732134 1204238786 /nfs/dbraw/zinc/23/87/86/1204238786.db2.gz JHQKBCFJYHMZAA-QAPCUYQASA-N 1 3 348.491 2.128 10 0 EEAEHO CC[C@@H](C(=O)N1CCC(C)([NH2+]CCCOC(C)C)CC1)N(C)C ZINC001274394185 1205019304 /nfs/dbraw/zinc/01/93/04/1205019304.db2.gz XMEKFGVDNCCKPF-INIZCTEOSA-N 1 3 327.513 2.112 10 0 EEAEHO Cc1cncc(CNC/C=C/CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001274413920 1205027202 /nfs/dbraw/zinc/02/72/02/1205027202.db2.gz POMAFZUMIHAIRX-DUMMIQTOSA-N 1 3 344.503 2.417 10 0 EEAEHO Cc1cccc(C(=O)NCCN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925496480 1206119664 /nfs/dbraw/zinc/11/96/64/1206119664.db2.gz VBJFYRAIWVIWMO-RTBURBONSA-N 1 3 329.488 2.483 10 0 EEAEHO CC1(C)[C@H]([NH2+]CCCc2nnc3n2CCCCC3)[C@@H]2CCCN[C@@H]21 ZINC000925575005 1206130584 /nfs/dbraw/zinc/13/05/84/1206130584.db2.gz XTKBEDGXHOHDJA-FHLIZLRMSA-N 1 3 331.508 2.303 10 0 EEAEHO CC1(C)[C@H](NCCCc2nnc3n2CCCCC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925575005 1206130586 /nfs/dbraw/zinc/13/05/86/1206130586.db2.gz XTKBEDGXHOHDJA-FHLIZLRMSA-N 1 3 331.508 2.303 10 0 EEAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000925632101 1206137732 /nfs/dbraw/zinc/13/77/32/1206137732.db2.gz ZVTPALGASOKXQE-HNJRGHQBSA-N 1 3 341.499 2.401 10 0 EEAEHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000925637712 1206138685 /nfs/dbraw/zinc/13/86/85/1206138685.db2.gz QGVXUHAREQTZPJ-DJIMGWMZSA-N 1 3 330.476 2.068 10 0 EEAEHO Cc1c([C@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cnn1C(C)C ZINC000925849065 1206160136 /nfs/dbraw/zinc/16/01/36/1206160136.db2.gz HGSJLOYDANJBJR-DZGCQCFKSA-N 1 3 334.464 2.108 10 0 EEAEHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cc1N(C)C ZINC000925857283 1206161682 /nfs/dbraw/zinc/16/16/82/1206161682.db2.gz ZIQZHRHBLIIFSO-UKRRQHHQSA-N 1 3 349.450 2.228 10 0 EEAEHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000926290491 1206211571 /nfs/dbraw/zinc/21/15/71/1206211571.db2.gz OPZYVVXDDNLJAX-ZSLAEUJXSA-N 1 3 342.405 2.185 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NCC[N@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000827076534 1249791831 /nfs/dbraw/zinc/79/18/31/1249791831.db2.gz ROPITQBPBXPKPW-HIFRSBDPSA-N 1 3 338.883 2.424 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000827076534 1249791851 /nfs/dbraw/zinc/79/18/51/1249791851.db2.gz ROPITQBPBXPKPW-HIFRSBDPSA-N 1 3 338.883 2.424 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@H]2c2ccc(O)cc2)cnn1C ZINC000903904386 1242417093 /nfs/dbraw/zinc/41/70/93/1242417093.db2.gz TYXNWQRHWHWOGQ-KXBFYZLASA-N 1 3 328.460 2.389 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN[C@H](c2ccccc2)C(C)(C)CO)cnn1C ZINC000903927501 1242528350 /nfs/dbraw/zinc/52/83/50/1242528350.db2.gz SGBOGBQIRDTCHA-VQIMIIECSA-N 1 3 344.503 2.195 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CN(C)Cc2ccc3cc[nH]c3c2)cnn1C ZINC000903937191 1242582313 /nfs/dbraw/zinc/58/23/13/1242582313.db2.gz DRRNYFRAIVKEEV-INIZCTEOSA-N 1 3 325.460 2.459 10 0 EEAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1cnn(C(C)(C)C)c1 ZINC001491455080 1259098651 /nfs/dbraw/zinc/09/86/51/1259098651.db2.gz OBMUBIIDZZJPOM-WBVHZDCISA-N 1 3 349.523 2.105 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1cnn(C(C)(C)C)c1 ZINC001491455080 1259098659 /nfs/dbraw/zinc/09/86/59/1259098659.db2.gz OBMUBIIDZZJPOM-WBVHZDCISA-N 1 3 349.523 2.105 10 0 EEAEHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001491477229 1259128401 /nfs/dbraw/zinc/12/84/01/1259128401.db2.gz HCNKXHIZHTTWMQ-KBPBESRZSA-N 1 3 331.451 2.391 10 0 EEAEHO Cc1ncc(CN[C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)s1 ZINC001491505322 1259155902 /nfs/dbraw/zinc/15/59/02/1259155902.db2.gz VVEIHCCGEDHRGY-BBRMVZONSA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1ncc(CN[C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)s1 ZINC001491505322 1259155906 /nfs/dbraw/zinc/15/59/06/1259155906.db2.gz VVEIHCCGEDHRGY-BBRMVZONSA-N 1 3 338.521 2.166 10 0 EEAEHO CC(C)OCCC[NH+]1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001490408709 1291320227 /nfs/dbraw/zinc/32/02/27/1291320227.db2.gz AOZAEDVPVZKRHZ-UHFFFAOYSA-N 1 3 339.524 2.209 10 0 EEAEHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000854514886 1292824945 /nfs/dbraw/zinc/82/49/45/1292824945.db2.gz LFXGTAIXKOMKSV-FXRXJOCMSA-N 1 3 327.472 2.470 10 0 EEAEHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000854514886 1292824962 /nfs/dbraw/zinc/82/49/62/1292824962.db2.gz LFXGTAIXKOMKSV-FXRXJOCMSA-N 1 3 327.472 2.470 10 0 EEAEHO CC[N@@H+]1CC[C@H](NCCOCCN(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000858500304 1294134991 /nfs/dbraw/zinc/13/49/91/1294134991.db2.gz AFRDFFODTHGXSG-CVEARBPZSA-N 1 3 343.512 2.190 10 0 EEAEHO CC[N@H+]1CC[C@H](NCCOCCN(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000858500304 1294134995 /nfs/dbraw/zinc/13/49/95/1294134995.db2.gz AFRDFFODTHGXSG-CVEARBPZSA-N 1 3 343.512 2.190 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc(Cl)n1 ZINC000841850501 1315622502 /nfs/dbraw/zinc/62/25/02/1315622502.db2.gz CFEUYVLXKXVWDH-YDHLFZDLSA-N 1 3 338.883 2.315 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc(Cl)n1 ZINC000843501618 1315924528 /nfs/dbraw/zinc/92/45/28/1315924528.db2.gz LWAZUYCSYRUWLJ-GJZGRUSLSA-N 1 3 344.846 2.350 10 0 EEAEHO COCCC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001279089575 1319229452 /nfs/dbraw/zinc/22/94/52/1319229452.db2.gz HGXAOEHZBONNTN-MRXNPFEDSA-N 1 3 339.524 2.114 10 0 EEAEHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([NH2+]CCOC3CCC3)C2)c1 ZINC001265459955 1323166830 /nfs/dbraw/zinc/16/68/30/1323166830.db2.gz SDOYHHXYZPIMPL-SFHVURJKSA-N 1 3 345.487 2.121 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCOC(C)C ZINC001265692071 1323324949 /nfs/dbraw/zinc/32/49/49/1323324949.db2.gz YAOOJCYGRQIXKU-MSOLQXFVSA-N 1 3 339.524 2.257 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001279586924 1323948312 /nfs/dbraw/zinc/94/83/12/1323948312.db2.gz KGMFTQVKTVOZEH-CVEARBPZSA-N 1 3 348.491 2.179 10 0 EEAEHO CCOCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001279586924 1323948315 /nfs/dbraw/zinc/94/83/15/1323948315.db2.gz KGMFTQVKTVOZEH-CVEARBPZSA-N 1 3 348.491 2.179 10 0 EEAEHO CC(C)OCC[NH2+]CC1CC(NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001282003069 1325565235 /nfs/dbraw/zinc/56/52/35/1325565235.db2.gz WCIZNBIOYGRJGB-UHFFFAOYSA-N 1 3 339.524 2.160 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001491854916 1330275192 /nfs/dbraw/zinc/27/51/92/1330275192.db2.gz AMNNNGBJAGGRFB-UONOGXRCSA-N 1 3 335.414 2.251 10 0 EEAEHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cnoc1C)N(C)C ZINC001492164635 1331029352 /nfs/dbraw/zinc/02/93/52/1331029352.db2.gz CEHHPWWKHNKFLB-IRXDYDNUSA-N 1 3 336.480 2.184 10 0 EEAEHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@H+]1Cc1cnoc1C)N(C)C ZINC001492164635 1331029356 /nfs/dbraw/zinc/02/93/56/1331029356.db2.gz CEHHPWWKHNKFLB-IRXDYDNUSA-N 1 3 336.480 2.184 10 0 EEAEHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccnc(Cl)c1)C1CC1)N(C)C ZINC001317028026 1332049692 /nfs/dbraw/zinc/04/96/92/1332049692.db2.gz APFYQSTUMLYOIE-CABCVRRESA-N 1 3 338.883 2.060 10 0 EEAEHO Cc1cccc(OCC[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001317063071 1332066137 /nfs/dbraw/zinc/06/61/37/1332066137.db2.gz YKBXUEQOTOYEQY-PKOBYXMFSA-N 1 3 347.503 2.151 10 0 EEAEHO CCc1ccccc1CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001317340197 1332185809 /nfs/dbraw/zinc/18/58/09/1332185809.db2.gz KFMZGLKUJBQSRG-MRXNPFEDSA-N 1 3 340.471 2.195 10 0 EEAEHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1cccc(Cl)n1 ZINC001318561047 1332561327 /nfs/dbraw/zinc/56/13/27/1332561327.db2.gz FULSUCPQYMYEJM-ZDUSSCGKSA-N 1 3 338.883 2.061 10 0 EEAEHO C[C@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)Cc1c[nH]cn1 ZINC001319537175 1332717402 /nfs/dbraw/zinc/71/74/02/1332717402.db2.gz DCANBKMMYBCALQ-CQSZACIVSA-N 1 3 332.423 2.161 10 0 EEAEHO CN(CCC[NH2+]Cc1cc2ccccc2o1)C(=O)[C@H]1CCCN1C ZINC001322647472 1333300276 /nfs/dbraw/zinc/30/02/76/1333300276.db2.gz AYXWSUAIFODOAA-QGZVFWFLSA-N 1 3 329.444 2.465 10 0 EEAEHO CN(CCC[NH2+]Cc1sccc1Cl)C(=O)[C@H]1CCCN1C ZINC001322648079 1333300513 /nfs/dbraw/zinc/30/05/13/1333300513.db2.gz ISRVWZIUFIKDGR-CYBMUJFWSA-N 1 3 329.897 2.434 10 0 EEAEHO Cc1ccc(F)cc1C[NH2+]CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001322693874 1333308563 /nfs/dbraw/zinc/30/85/63/1333308563.db2.gz LOKURKNNQJOWQH-OAHLLOKOSA-N 1 3 335.467 2.414 10 0 EEAEHO CCc1nocc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001322851612 1333341288 /nfs/dbraw/zinc/34/12/88/1333341288.db2.gz BGAGCFOVGVDVQY-KRWDZBQOSA-N 1 3 336.480 2.050 10 0 EEAEHO O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[C@@H]1CNCCF ZINC001324213754 1333636581 /nfs/dbraw/zinc/63/65/81/1333636581.db2.gz RFRNBCJFAHJYAF-SJORKVTESA-N 1 3 325.472 2.334 10 0 EEAEHO O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCC[C@@H]1CNCCF ZINC001324213754 1333636582 /nfs/dbraw/zinc/63/65/82/1333636582.db2.gz RFRNBCJFAHJYAF-SJORKVTESA-N 1 3 325.472 2.334 10 0 EEAEHO C[C@H](NC[C@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1)c1cnccn1 ZINC001324817414 1333766496 /nfs/dbraw/zinc/76/64/96/1333766496.db2.gz IEBAIBZSMITPTM-LPHOPBHVSA-N 1 3 347.507 2.098 10 0 EEAEHO COCCC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001324947650 1333794421 /nfs/dbraw/zinc/79/44/21/1333794421.db2.gz KZILUWOKVPXBPU-LJQANCHMSA-N 1 3 339.524 2.116 10 0 EEAEHO COCCC[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001324947650 1333794426 /nfs/dbraw/zinc/79/44/26/1333794426.db2.gz KZILUWOKVPXBPU-LJQANCHMSA-N 1 3 339.524 2.116 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NC2CC[NH+](C3CC3)CC2)cc(Cl)n1 ZINC001327181054 1334241552 /nfs/dbraw/zinc/24/15/52/1334241552.db2.gz LYBNNXIRHMMCLP-HNNXBMFYSA-N 1 3 336.867 2.176 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCF)C(C)(C)C1 ZINC001332427032 1335822076 /nfs/dbraw/zinc/82/20/76/1335822076.db2.gz HSXCTOKCJWSHPY-HZPDHXFCSA-N 1 3 327.488 2.436 10 0 EEAEHO CC(C)OCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001566854896 1342640988 /nfs/dbraw/zinc/64/09/88/1342640988.db2.gz QMBWXLRNBMPWEI-FGTMMUONSA-N 1 3 339.524 2.301 10 0 EEAEHO Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001567103807 1342694769 /nfs/dbraw/zinc/69/47/69/1342694769.db2.gz BBNICTXZLIPEDO-KRWDZBQOSA-N 1 3 326.444 2.084 10 0 EEAEHO CCOCCC[NH+]1CCC(C)(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001569578325 1342900881 /nfs/dbraw/zinc/90/08/81/1342900881.db2.gz JFQHPTLKLNHFAT-IRXDYDNUSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1ncc(C[NH2+]CC[C@H]2CCN(C(=O)CN(C)C(C)C)C2)s1 ZINC001570022200 1343001840 /nfs/dbraw/zinc/00/18/40/1343001840.db2.gz POGCKRZSFNKQEY-HNNXBMFYSA-N 1 3 338.521 2.120 10 0 EEAEHO CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001570183322 1343028607 /nfs/dbraw/zinc/02/86/07/1343028607.db2.gz IHYNMSHEQOSYSF-QZTJIDSGSA-N 1 3 339.524 2.257 10 0 EEAEHO CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001570183322 1343028616 /nfs/dbraw/zinc/02/86/16/1343028616.db2.gz IHYNMSHEQOSYSF-QZTJIDSGSA-N 1 3 339.524 2.257 10 0 EEAEHO C[C@@H]1C[C@@H](NCc2nccs2)CCN1C(=O)CCCC[NH+](C)C ZINC001671251029 1353941828 /nfs/dbraw/zinc/94/18/28/1353941828.db2.gz IDHJJGOXWNCHBX-CABCVRRESA-N 1 3 338.521 2.344 10 0 EEAEHO CCOCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001656353477 1354225022 /nfs/dbraw/zinc/22/50/22/1354225022.db2.gz DGUPCYZPWMSACN-FGTMMUONSA-N 1 3 339.524 2.162 10 0 EEAEHO CC(C)COCC[N@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001662844529 1354862258 /nfs/dbraw/zinc/86/22/58/1354862258.db2.gz HFIOTOHNNCZRLF-KRWDZBQOSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)COCC[N@@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001662844529 1354862265 /nfs/dbraw/zinc/86/22/65/1354862265.db2.gz HFIOTOHNNCZRLF-KRWDZBQOSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccc2c(c1)COC2)N(C)C ZINC001668872599 1356031643 /nfs/dbraw/zinc/03/16/43/1356031643.db2.gz KPFMJOSCYYSKJR-VOFKWLDRSA-N 1 3 345.487 2.065 10 0 EEAEHO Cc1nocc1CNCCCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001670158207 1356287549 /nfs/dbraw/zinc/28/75/49/1356287549.db2.gz NTQMVOSIXYPIIX-QGZVFWFLSA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1nocc1CNCCCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001670158207 1356287554 /nfs/dbraw/zinc/28/75/54/1356287554.db2.gz NTQMVOSIXYPIIX-QGZVFWFLSA-N 1 3 336.480 2.042 10 0 EEAEHO CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CCOCC1 ZINC001671935035 1356441262 /nfs/dbraw/zinc/44/12/62/1356441262.db2.gz SCABVYSFCAIQEM-QGZVFWFLSA-N 1 3 337.508 2.080 10 0 EEAEHO COCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001672246253 1356487635 /nfs/dbraw/zinc/48/76/35/1356487635.db2.gz GWEFHCHWPYXZSS-LPHOPBHVSA-N 1 3 347.503 2.225 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCc2ccccc2F)C1 ZINC001672326831 1356502248 /nfs/dbraw/zinc/50/22/48/1356502248.db2.gz FKDSKNXNNSLSGO-WMZOPIPTSA-N 1 3 349.494 2.394 10 0 EEAEHO CC(C)[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)CCC(F)(F)F ZINC001691751144 1356814600 /nfs/dbraw/zinc/81/46/00/1356814600.db2.gz CYPMTJLLEFYWHV-CQSZACIVSA-N 1 3 337.430 2.497 10 0 EEAEHO CC(C)[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)CCC(F)(F)F ZINC001691751144 1356814604 /nfs/dbraw/zinc/81/46/04/1356814604.db2.gz CYPMTJLLEFYWHV-CQSZACIVSA-N 1 3 337.430 2.497 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CCCOC)CC1 ZINC001674812773 1356900215 /nfs/dbraw/zinc/90/02/15/1356900215.db2.gz WGZWMJWQCBSWJO-DAWZGUTISA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1ncccc1C[NH2+]CCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001675914485 1357068742 /nfs/dbraw/zinc/06/87/42/1357068742.db2.gz DRYOKAOTHUFMRG-OAHLLOKOSA-N 1 3 332.492 2.249 10 0 EEAEHO Cc1cc(CNCCCN(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)on1 ZINC001699545515 1405380076 /nfs/dbraw/zinc/38/00/76/1405380076.db2.gz SUEDLRTVHIMEQT-JKSUJKDBSA-N 1 3 336.480 2.042 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2CNCC=C(Cl)Cl)C1 ZINC001699761359 1405471360 /nfs/dbraw/zinc/47/13/60/1405471360.db2.gz CFTXFOPTZFBIQI-OLZOCXBDSA-N 1 3 334.291 2.228 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]2CNCC=C(Cl)Cl)C1 ZINC001699761359 1405471361 /nfs/dbraw/zinc/47/13/61/1405471361.db2.gz CFTXFOPTZFBIQI-OLZOCXBDSA-N 1 3 334.291 2.228 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc(Cl)n1 ZINC000846694586 790417782 /nfs/dbraw/zinc/41/77/82/790417782.db2.gz QUIWZCUHKUKJHF-NILFDRSVSA-N 1 3 338.883 2.409 10 0 EEAEHO FC(F)(F)[C@@H]1CCC[C@H](CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)O1 ZINC000925835369 779060748 /nfs/dbraw/zinc/06/07/48/779060748.db2.gz SHWVXTLYGDCVHG-QMIVOQANSA-N 1 3 336.398 2.233 10 0 EEAEHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000923451414 789582637 /nfs/dbraw/zinc/58/26/37/789582637.db2.gz LNCVDIJDZMUQFC-SFHVURJKSA-N 1 3 338.455 2.473 10 0 EEAEHO CCCOCc1ccccc1CNC(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495259 789652798 /nfs/dbraw/zinc/65/27/98/789652798.db2.gz AALAUFJDTFCSHX-IAGOWNOFSA-N 1 3 347.503 2.146 10 0 EEAEHO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496774 789669517 /nfs/dbraw/zinc/66/95/17/789669517.db2.gz DIZPXSPYJONYJG-OAGGEKHMSA-N 1 3 342.487 2.132 10 0 EEAEHO Cc1cc(C)c(CCNC(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)c(C)c1 ZINC000923499278 789682880 /nfs/dbraw/zinc/68/28/80/789682880.db2.gz RTLZJXQLDWOFJS-ZWKOTPCHSA-N 1 3 331.504 2.187 10 0 EEAEHO O=C(NCCN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000716672702 796405882 /nfs/dbraw/zinc/40/58/82/796405882.db2.gz KRVTVNMHCOXVMJ-WDSOQIARSA-N 1 3 327.472 2.155 10 0 EEAEHO O=C(NCCN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000716672702 796405885 /nfs/dbraw/zinc/40/58/85/796405885.db2.gz KRVTVNMHCOXVMJ-WDSOQIARSA-N 1 3 327.472 2.155 10 0 EEAEHO O=C(NCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000716672702 796405888 /nfs/dbraw/zinc/40/58/88/796405888.db2.gz KRVTVNMHCOXVMJ-WDSOQIARSA-N 1 3 327.472 2.155 10 0 EEAEHO Cc1ncccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001436420843 1087782817 /nfs/dbraw/zinc/78/28/17/1087782817.db2.gz FDYQKCPTVIHGNC-VDZJLULYSA-N 1 3 344.503 2.106 10 0 EEAEHO C[C@@H](F)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001436460351 1087912051 /nfs/dbraw/zinc/91/20/51/1087912051.db2.gz PRTZCUINIFAGRG-ZACQAIPSSA-N 1 3 341.515 2.493 10 0 EEAEHO C[C@@H](F)CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001436460351 1087912055 /nfs/dbraw/zinc/91/20/55/1087912055.db2.gz PRTZCUINIFAGRG-ZACQAIPSSA-N 1 3 341.515 2.493 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]C/C(Cl)=C/Cl)C1)N(C)C ZINC001437015720 1088799998 /nfs/dbraw/zinc/79/99/98/1088799998.db2.gz AVPXLLQGMKFRJC-DOOVCASASA-N 1 3 336.307 2.474 10 0 EEAEHO Cc1nc(CNC2CCC(NC(=O)CC[NH+](C)C)CC2)c(C)s1 ZINC001437092883 1089047552 /nfs/dbraw/zinc/04/75/52/1089047552.db2.gz YRJYXSNNQXCRHZ-UHFFFAOYSA-N 1 3 338.521 2.229 10 0 EEAEHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]CCC1CCOCC1 ZINC001437211865 1089288322 /nfs/dbraw/zinc/28/83/22/1089288322.db2.gz FTWQEUASEBBJKF-SJORKVTESA-N 1 3 339.524 2.162 10 0 EEAEHO CCN(C/C=C\c1ccccc1)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001437638646 1090156130 /nfs/dbraw/zinc/15/61/30/1090156130.db2.gz LLQFQCUWBAKCAP-KWEPMOPPSA-N 1 3 329.488 2.480 10 0 EEAEHO CCN(C/C=C\c1ccccc1)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001437638646 1090156141 /nfs/dbraw/zinc/15/61/41/1090156141.db2.gz LLQFQCUWBAKCAP-KWEPMOPPSA-N 1 3 329.488 2.480 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CCN(C/C=C\Cl)C1 ZINC001437919883 1090507434 /nfs/dbraw/zinc/50/74/34/1090507434.db2.gz QPCBESVXMUTNAC-FMQFUMSTSA-N 1 3 327.900 2.440 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CCN(C/C=C\Cl)C1 ZINC001437919883 1090507441 /nfs/dbraw/zinc/50/74/41/1090507441.db2.gz QPCBESVXMUTNAC-FMQFUMSTSA-N 1 3 327.900 2.440 10 0 EEAEHO CC[C@H](F)CN(C)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001437990265 1090586846 /nfs/dbraw/zinc/58/68/46/1090586846.db2.gz MNKKNPCLFAGWRJ-SJORKVTESA-N 1 3 327.488 2.391 10 0 EEAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001438161100 1090673932 /nfs/dbraw/zinc/67/39/32/1090673932.db2.gz QZCLMQBXZJXUSW-HZPDHXFCSA-N 1 3 333.520 2.488 10 0 EEAEHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1cc2ccccc2o1 ZINC001438367589 1090844429 /nfs/dbraw/zinc/84/44/29/1090844429.db2.gz NAAIASQPXSGWNA-JKSUJKDBSA-N 1 3 329.444 2.369 10 0 EEAEHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1cc2ccccc2o1 ZINC001438367589 1090844434 /nfs/dbraw/zinc/84/44/34/1090844434.db2.gz NAAIASQPXSGWNA-JKSUJKDBSA-N 1 3 329.444 2.369 10 0 EEAEHO C[NH+](C)CC1(C(=O)NC2(CNCc3cncs3)CCCC2)CC1 ZINC001438398829 1090886023 /nfs/dbraw/zinc/88/60/23/1090886023.db2.gz CEGRZZCTQNUDAH-UHFFFAOYSA-N 1 3 336.505 2.004 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]Cc1cccnc1)C1CC1 ZINC001438415038 1090907503 /nfs/dbraw/zinc/90/75/03/1090907503.db2.gz NRTLJXALKXNGLW-ICSRJNTNSA-N 1 3 344.503 2.329 10 0 EEAEHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001438537611 1091029886 /nfs/dbraw/zinc/02/98/86/1091029886.db2.gz CGKOKDPJZHHZEC-RDTXWAMCSA-N 1 3 330.476 2.350 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CNCc2cncc(C)c2)C1 ZINC001445429079 1091185393 /nfs/dbraw/zinc/18/53/93/1091185393.db2.gz MMNIKKFWLHRHTO-AEFFLSMTSA-N 1 3 332.492 2.106 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CNCc2cncc(C)c2)C1 ZINC001445429079 1091185395 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EEAEHO CCC[N@@H+](C)CCC(=O)N[C@H]1CN(C[C@H]2CCCCO2)CC1(C)C ZINC001506748932 1114862772 /nfs/dbraw/zinc/86/27/72/1114862772.db2.gz AYJFUGZLMYAFFY-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO CCc1nocc1CNC[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001506907414 1114964223 /nfs/dbraw/zinc/96/42/23/1114964223.db2.gz SBTOACIPDIUEJA-JCNLHEQBSA-N 1 3 348.491 2.097 10 0 EEAEHO C[C@H]1C[C@@H](NCc2sccc2Cl)CN1C(=O)CC[NH+](C)C ZINC001507320602 1115191079 /nfs/dbraw/zinc/19/10/79/1115191079.db2.gz NNTIKUKDQWTMAJ-NWDGAFQWSA-N 1 3 329.897 2.432 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1ccccc1F)N(C)C ZINC001568298445 1124410696 /nfs/dbraw/zinc/41/06/96/1124410696.db2.gz PMPRNWXZWYOJKY-MAUKXSAKSA-N 1 3 337.483 2.391 10 0 EEAEHO CC(C)C[C@@H](CNCCF)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001568335928 1124424629 /nfs/dbraw/zinc/42/46/29/1124424629.db2.gz IYQCJCKHBKOAOA-OTWHNJEPSA-N 1 3 349.494 2.422 10 0 EEAEHO CC(C)C[C@@H](CNCCF)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001568335928 1124424631 /nfs/dbraw/zinc/42/46/31/1124424631.db2.gz IYQCJCKHBKOAOA-OTWHNJEPSA-N 1 3 349.494 2.422 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cnc(C)o1 ZINC001568397958 1124469291 /nfs/dbraw/zinc/46/92/91/1124469291.db2.gz LOVBBYKSDTVIMO-MRXNPFEDSA-N 1 3 336.480 2.186 10 0 EEAEHO Cc1nc(CNCC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)sc1C ZINC001568671569 1124685247 /nfs/dbraw/zinc/68/52/47/1124685247.db2.gz UNFHGTZKAUUOCL-LBPRGKRZSA-N 1 3 338.521 2.086 10 0 EEAEHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(F)cc(F)c1)N(C)C ZINC001568698723 1124713310 /nfs/dbraw/zinc/71/33/10/1124713310.db2.gz HRQKIYAQGSYFGR-WBMJQRKESA-N 1 3 327.419 2.289 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C/C[NH2+]Cc1ccc2ncccc2c1 ZINC001568964784 1125001769 /nfs/dbraw/zinc/00/17/69/1125001769.db2.gz WMVWHPVORXLKKX-OWOJBTEDSA-N 1 3 338.455 2.093 10 0 EEAEHO CN(C)[C@H]1CCN(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000186271205 282261630 /nfs/dbraw/zinc/26/16/30/282261630.db2.gz BIJGGXVLPACJTF-RBUKOAKNSA-N 1 3 344.503 2.243 10 0 EEAEHO 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/nfs/dbraw/zinc/35/83/96/160358396.db2.gz GQXGUDMJJYCMDD-MOPGFXCFSA-N 1 3 344.503 2.292 10 0 EEAEHO CCN1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000248721194 160358397 /nfs/dbraw/zinc/35/83/97/160358397.db2.gz GQXGUDMJJYCMDD-MOPGFXCFSA-N 1 3 344.503 2.292 10 0 EEAEHO C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245657372 160247008 /nfs/dbraw/zinc/24/70/08/160247008.db2.gz DWWUYDPVNUZKII-WJMWBRGCSA-N 1 3 343.515 2.492 10 0 EEAEHO C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245657372 160247010 /nfs/dbraw/zinc/24/70/10/160247010.db2.gz DWWUYDPVNUZKII-WJMWBRGCSA-N 1 3 343.515 2.492 10 0 EEAEHO CN(C)Cc1cccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000245896645 160256657 /nfs/dbraw/zinc/25/66/57/160256657.db2.gz DCBOBEDIXOSQFX-OALUTQOASA-N 1 3 344.503 2.374 10 0 EEAEHO CN(C)Cc1cccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000245896645 160256658 /nfs/dbraw/zinc/25/66/58/160256658.db2.gz DCBOBEDIXOSQFX-OALUTQOASA-N 1 3 344.503 2.374 10 0 EEAEHO CN(CCNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)Cc1ccccc1 ZINC000246025740 160261078 /nfs/dbraw/zinc/26/10/78/160261078.db2.gz VMFFZQJWWCVLPK-OALUTQOASA-N 1 3 344.503 2.244 10 0 EEAEHO CN(CCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)Cc1ccccc1 ZINC000246025740 160261080 /nfs/dbraw/zinc/26/10/80/160261080.db2.gz VMFFZQJWWCVLPK-OALUTQOASA-N 1 3 344.503 2.244 10 0 EEAEHO CC(C)C[C@H](N[C@H]1CCCc2ccc(O)cc21)C(=O)NCC[NH+](C)C ZINC000340517200 160936005 /nfs/dbraw/zinc/93/60/05/160936005.db2.gz ZNCAMIGIAWZWKG-OALUTQOASA-N 1 3 347.503 2.452 10 0 EEAEHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000248124596 276306154 /nfs/dbraw/zinc/30/61/54/276306154.db2.gz VEKLMZDQEFKTKD-UHOSZYNNSA-N 1 3 344.503 2.415 10 0 EEAEHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000248124596 276306156 /nfs/dbraw/zinc/30/61/56/276306156.db2.gz VEKLMZDQEFKTKD-UHOSZYNNSA-N 1 3 344.503 2.415 10 0 EEAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000097395090 279127228 /nfs/dbraw/zinc/12/72/28/279127228.db2.gz MSOYZYIBIJFUNJ-RTBURBONSA-N 1 3 348.535 2.435 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCC(C)(F)F ZINC000458904431 279302431 /nfs/dbraw/zinc/30/24/31/279302431.db2.gz VAVHUIQGQIQNHV-OAHLLOKOSA-N 1 3 348.482 2.479 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCC(C)(F)F ZINC000458904431 279302433 /nfs/dbraw/zinc/30/24/33/279302433.db2.gz VAVHUIQGQIQNHV-OAHLLOKOSA-N 1 3 348.482 2.479 10 0 EEAEHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170828792 279384413 /nfs/dbraw/zinc/38/44/13/279384413.db2.gz ZOEQSJYGIFQMHA-GOSISDBHSA-N 1 3 332.492 2.372 10 0 EEAEHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170828792 279384416 /nfs/dbraw/zinc/38/44/16/279384416.db2.gz ZOEQSJYGIFQMHA-GOSISDBHSA-N 1 3 332.492 2.372 10 0 EEAEHO C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)CN1 ZINC000416882829 313347254 /nfs/dbraw/zinc/34/72/54/313347254.db2.gz BAUVZEDAQXQRPX-HOTGVXAUSA-N 1 3 330.476 2.174 10 0 EEAEHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CNCCC1(F)F)CC(C)C ZINC000416943700 313368686 /nfs/dbraw/zinc/36/86/86/313368686.db2.gz CPHYWWKKMDSRKX-UONOGXRCSA-N 1 3 334.455 2.039 10 0 EEAEHO CCC(CC)[C@H](CNC(=O)N[C@@H]1CNCCC1(F)F)[NH+]1CCCC1 ZINC000416965473 313373969 /nfs/dbraw/zinc/37/39/69/313373969.db2.gz XPKYOZVAPXYVHY-LSDHHAIUSA-N 1 3 346.466 2.183 10 0 EEAEHO Cc1ccc2nccc(NCC(=O)NCC[NH+]3CCCCCC3)c2c1 ZINC000431511794 314638231 /nfs/dbraw/zinc/63/82/31/314638231.db2.gz MFKSMSBABUMJPV-UHFFFAOYSA-N 1 3 340.471 2.369 10 0 EEAEHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)NCCC[NH3+] ZINC000437797970 315052903 /nfs/dbraw/zinc/05/29/03/315052903.db2.gz UMJDISNFVSUHSM-JTQLQIEISA-N 1 3 341.477 2.197 10 0 EEAEHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]CCCN ZINC000437797970 315052904 /nfs/dbraw/zinc/05/29/04/315052904.db2.gz UMJDISNFVSUHSM-JTQLQIEISA-N 1 3 341.477 2.197 10 0 EEAEHO CC[C@H](CNC(=O)N(C)CCC[NH+](C)C)N1CCc2ccccc2C1 ZINC000541787259 318109632 /nfs/dbraw/zinc/10/96/32/318109632.db2.gz OAMJWENYRUTLQK-LJQANCHMSA-N 1 3 346.519 2.416 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000565492219 319187932 /nfs/dbraw/zinc/18/79/32/319187932.db2.gz KMTOXTGPPMILHC-QGZVFWFLSA-N 1 3 344.503 2.488 10 0 EEAEHO [NH3+]C[C@H](NC(=O)N1CCN2CCC1CC2)c1ccc2ccccc2c1 ZINC000581874309 324333399 /nfs/dbraw/zinc/33/33/99/324333399.db2.gz FDYKZZISWVGPAE-IBGZPJMESA-N 1 3 338.455 2.329 10 0 EEAEHO C[NH+](C)CCCC1CCN(CCc2nnnn2-c2ccccc2)CC1 ZINC000347581246 465102798 /nfs/dbraw/zinc/10/27/98/465102798.db2.gz DZYKAGSOIVHDGL-UHFFFAOYSA-N 1 3 342.491 2.259 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCN1CCOC[C@@H]1C ZINC000337186238 465232561 /nfs/dbraw/zinc/23/25/61/465232561.db2.gz DDYIEMIZOLZLAK-WSTZPKSXSA-N 1 3 331.504 2.207 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCN1CCOC[C@@H]1C ZINC000337186238 465232567 /nfs/dbraw/zinc/23/25/67/465232567.db2.gz DDYIEMIZOLZLAK-WSTZPKSXSA-N 1 3 331.504 2.207 10 0 EEAEHO CC(C)C[C@H](CNC(=O)c1ccccc1OCCN(C)C)[NH+](C)C ZINC000114378038 462641038 /nfs/dbraw/zinc/64/10/38/462641038.db2.gz ORNCCNVGZNSERJ-MRXNPFEDSA-N 1 3 335.492 2.333 10 0 EEAEHO CO[C@@H](C)c1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000120058977 462957804 /nfs/dbraw/zinc/95/78/04/462957804.db2.gz STPNGCYVBGPSPQ-HNNXBMFYSA-N 1 3 336.480 2.351 10 0 EEAEHO CC(C)C[C@H](CN(C)C)NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000123172826 463322245 /nfs/dbraw/zinc/32/22/45/463322245.db2.gz RCIRRZHYJVEISX-DLBZAZTESA-N 1 3 326.529 2.240 10 0 EEAEHO CC(C)C[C@H](CN(C)C)NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000123172826 463322246 /nfs/dbraw/zinc/32/22/46/463322246.db2.gz RCIRRZHYJVEISX-DLBZAZTESA-N 1 3 326.529 2.240 10 0 EEAEHO C[C@H](CNC(=O)c1ccccc1OCCN(C)C)C[NH+]1CCCC1 ZINC000125777371 463577495 /nfs/dbraw/zinc/57/74/95/463577495.db2.gz DDLOOGBIVBKQIG-MRXNPFEDSA-N 1 3 333.476 2.089 10 0 EEAEHO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000170855477 463723691 /nfs/dbraw/zinc/72/36/91/463723691.db2.gz CTBRNDLJNRKLTH-SJLPKXTDSA-N 1 3 333.451 2.200 10 0 EEAEHO OC[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)c1cccnc1 ZINC000348706799 465748179 /nfs/dbraw/zinc/74/81/79/465748179.db2.gz VBPZPGHTNCEHCV-FQEVSTJZSA-N 1 3 339.483 2.454 10 0 EEAEHO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cn2)CCO1 ZINC000353464334 465902085 /nfs/dbraw/zinc/90/20/85/465902085.db2.gz UIJPULQTEQIMSI-OWYHZJEWSA-N 1 3 344.503 2.269 10 0 EEAEHO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)cn2)CCO1 ZINC000353464334 465902092 /nfs/dbraw/zinc/90/20/92/465902092.db2.gz UIJPULQTEQIMSI-OWYHZJEWSA-N 1 3 344.503 2.269 10 0 EEAEHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@@H]43)cn2)CCO1 ZINC000353464334 465902096 /nfs/dbraw/zinc/90/20/96/465902096.db2.gz UIJPULQTEQIMSI-OWYHZJEWSA-N 1 3 344.503 2.269 10 0 EEAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000349669720 466184698 /nfs/dbraw/zinc/18/46/98/466184698.db2.gz QRTALVXJGWUDCR-NUJGCVRESA-N 1 3 336.524 2.233 10 0 EEAEHO COCCN1CCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338536603 466205203 /nfs/dbraw/zinc/20/52/03/466205203.db2.gz OOZZUNCPAKWOSC-IBGZPJMESA-N 1 3 345.487 2.123 10 0 EEAEHO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCN3CCc4ccccc4C3)CC[C@@H]21 ZINC000354360245 466503607 /nfs/dbraw/zinc/50/36/07/466503607.db2.gz BJRSKXJRQXWXAP-UXHICEINSA-N 1 3 341.499 2.378 10 0 EEAEHO C[N@H+]1CCC[C@@H]2CN(C(=O)CCN3CCc4ccccc4C3)CC[C@@H]21 ZINC000354360245 466503616 /nfs/dbraw/zinc/50/36/16/466503616.db2.gz BJRSKXJRQXWXAP-UXHICEINSA-N 1 3 341.499 2.378 10 0 EEAEHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000423508335 466761334 /nfs/dbraw/zinc/76/13/34/466761334.db2.gz QOOVSPWUIXFZHX-KBXCAEBGSA-N 1 3 347.484 2.465 10 0 EEAEHO O=C1C[C@@]2(CC[N@H+](Cc3cccc(CN4CCCCC4)c3)C2)CN1 ZINC000411669832 466872792 /nfs/dbraw/zinc/87/27/92/466872792.db2.gz KJFQXGQHPZYLMM-FQEVSTJZSA-N 1 3 327.472 2.385 10 0 EEAEHO O=C1C[C@@]2(CC[N@@H+](Cc3cccc(CN4CCCCC4)c3)C2)CN1 ZINC000411669832 466872797 /nfs/dbraw/zinc/87/27/97/466872797.db2.gz KJFQXGQHPZYLMM-FQEVSTJZSA-N 1 3 327.472 2.385 10 0 EEAEHO O=C1C[C@@]2(CCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)CN1 ZINC000411669832 466872801 /nfs/dbraw/zinc/87/28/01/466872801.db2.gz KJFQXGQHPZYLMM-FQEVSTJZSA-N 1 3 327.472 2.385 10 0 EEAEHO C[C@H](C[NH3+])N(C)C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417692371 466910137 /nfs/dbraw/zinc/91/01/37/466910137.db2.gz YEIPNICVDBWTGJ-QAPCUYQASA-N 1 3 346.519 2.448 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000417916425 466984458 /nfs/dbraw/zinc/98/44/58/466984458.db2.gz VZKPHXZJMQNGGW-SJLPKXTDSA-N 1 3 332.492 2.354 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000417916425 466984461 /nfs/dbraw/zinc/98/44/61/466984461.db2.gz VZKPHXZJMQNGGW-SJLPKXTDSA-N 1 3 332.492 2.354 10 0 EEAEHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000417933481 466991548 /nfs/dbraw/zinc/99/15/48/466991548.db2.gz DXKAPDMBSFBROY-JQHSSLGASA-N 1 3 330.476 2.073 10 0 EEAEHO C[C@@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000424292057 467023006 /nfs/dbraw/zinc/02/30/06/467023006.db2.gz NYQRLQWTVHMPKB-HUUCEWRRSA-N 1 3 333.451 2.467 10 0 EEAEHO C[C@@]1(CNC(=O)NC[C@@H]([NH3+])C2CC2)CCCN1Cc1ccccc1 ZINC000418048851 467034034 /nfs/dbraw/zinc/03/40/34/467034034.db2.gz WUVSZUXTZOXDKL-MJGOQNOKSA-N 1 3 330.476 2.078 10 0 EEAEHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418102112 467045049 /nfs/dbraw/zinc/04/50/49/467045049.db2.gz GYRYWXZVNCZVDX-PKOBYXMFSA-N 1 3 342.487 2.044 10 0 EEAEHO C[C@@H](NC(=O)N1CCCN(CCCc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000418697665 467146853 /nfs/dbraw/zinc/14/68/53/467146853.db2.gz MEBCAYRQXDYKSR-DLBZAZTESA-N 1 3 332.492 2.072 10 0 EEAEHO CN(C(=O)[C@H](C[NH3+])c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000386716392 467390788 /nfs/dbraw/zinc/39/07/88/467390788.db2.gz WTIGFWBUFDPJGN-WOJBJXKFSA-N 1 3 337.467 2.462 10 0 EEAEHO Cn1cc(CNCCC[NH2+]Cc2cccnc2)c(-c2cccnc2)n1 ZINC000414870015 467442992 /nfs/dbraw/zinc/44/29/92/467442992.db2.gz BZCFSBCZZKIZQC-UHFFFAOYSA-N 1 3 336.443 2.147 10 0 EEAEHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCCNC2)c(OC)c1 ZINC000415067241 467480963 /nfs/dbraw/zinc/48/09/63/467480963.db2.gz KGFLUQQWJOFICT-KBPBESRZSA-N 1 3 335.448 2.153 10 0 EEAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](O)COCC2CC2)CC1 ZINC000449114480 467618989 /nfs/dbraw/zinc/61/89/89/467618989.db2.gz CWGUQGPTEJTQLY-LAUBAEHRSA-N 1 3 346.515 2.459 10 0 EEAEHO C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN(C2CC2)C1 ZINC000458475672 467842231 /nfs/dbraw/zinc/84/22/31/467842231.db2.gz NIWYXRLUNMWVCG-UNPWZGGWSA-N 1 3 334.508 2.127 10 0 EEAEHO C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCN(C2CC2)C1 ZINC000458475672 467842234 /nfs/dbraw/zinc/84/22/34/467842234.db2.gz NIWYXRLUNMWVCG-UNPWZGGWSA-N 1 3 334.508 2.127 10 0 EEAEHO CN1CCC[C@]2(CCN(C(=O)NC3CCC(C[NH+](C)C)CC3)C2)C1 ZINC000458562940 467857884 /nfs/dbraw/zinc/85/78/84/467857884.db2.gz FDEHJNLPRMPTJG-TVPLGVNVSA-N 1 3 336.524 2.234 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2C[C@H](O)C2(C)C)CC1 ZINC000494422148 468055075 /nfs/dbraw/zinc/05/50/75/468055075.db2.gz BEBKDECLNKUANP-OALUTQOASA-N 1 3 331.504 2.468 10 0 EEAEHO O[C@H](CNCCc1ccc(OCC[NH+]2CCCC2)cc1)C(F)(F)F ZINC000520569085 468258852 /nfs/dbraw/zinc/25/88/52/468258852.db2.gz STLRKPPBOIOFLF-MRXNPFEDSA-N 1 3 346.393 2.217 10 0 EEAEHO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000594968724 468733438 /nfs/dbraw/zinc/73/34/38/468733438.db2.gz IYBHAGXMWOJDIZ-JCGIZDLHSA-N 1 3 331.460 2.081 10 0 EEAEHO COC(=O)c1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000593322569 468938556 /nfs/dbraw/zinc/93/85/56/468938556.db2.gz MLRFCUNUYAPWCH-KSZLIROESA-N 1 3 332.444 2.334 10 0 EEAEHO c1cc2c(cc1CN1CCC[C@H](c3nnc4n3CCC4)C1)C[NH2+]CC2 ZINC000572728165 468982380 /nfs/dbraw/zinc/98/23/80/468982380.db2.gz BYACXCLUMTXWJT-KRWDZBQOSA-N 1 3 337.471 2.250 10 0 EEAEHO O=C(N[C@@H]1CNCCC1(F)F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000563115141 469174643 /nfs/dbraw/zinc/17/46/43/469174643.db2.gz MJMHQUOQOKNTAA-HZPDHXFCSA-N 1 3 337.414 2.012 10 0 EEAEHO O=C(N[C@@H]1CNCCC1(F)F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000563115141 469174648 /nfs/dbraw/zinc/17/46/48/469174648.db2.gz MJMHQUOQOKNTAA-HZPDHXFCSA-N 1 3 337.414 2.012 10 0 EEAEHO Cc1ccc(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c(OCCN(C)C)c1 ZINC000625862924 469415460 /nfs/dbraw/zinc/41/54/60/469415460.db2.gz WPZFFKOEWLKFDD-LSDHHAIUSA-N 1 3 334.464 2.197 10 0 EEAEHO CN(C(=O)N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000612977859 469597477 /nfs/dbraw/zinc/59/74/77/469597477.db2.gz RCHWUJQEVMYBJY-MSOLQXFVSA-N 1 3 342.487 2.044 10 0 EEAEHO COc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000617502535 469699758 /nfs/dbraw/zinc/69/97/58/469699758.db2.gz SUPHEBXTSXPWQN-ZYSHUDEJSA-N 1 3 347.503 2.187 10 0 EEAEHO COc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000617502535 469699764 /nfs/dbraw/zinc/69/97/64/469699764.db2.gz SUPHEBXTSXPWQN-ZYSHUDEJSA-N 1 3 347.503 2.187 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CNc1ccccc1Cl ZINC000617504752 469703520 /nfs/dbraw/zinc/70/35/20/469703520.db2.gz IXAHDQPRQKVBLU-AWEZNQCLSA-N 1 3 340.899 2.140 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CNc1ccccc1Cl ZINC000617504752 469703526 /nfs/dbraw/zinc/70/35/26/469703526.db2.gz IXAHDQPRQKVBLU-AWEZNQCLSA-N 1 3 340.899 2.140 10 0 EEAEHO C[C@@H](CNC(=O)NC[C@H]1CCN1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000623721011 469744877 /nfs/dbraw/zinc/74/48/77/469744877.db2.gz FCBBCLKLLJDRNF-FUHWJXTLSA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627008872 469788302 /nfs/dbraw/zinc/78/83/02/469788302.db2.gz GJBFHGPCAPHGFG-WBVHZDCISA-N 1 3 330.476 2.091 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000627015904 469790488 /nfs/dbraw/zinc/79/04/88/469790488.db2.gz DOAZRSOURDWXHO-NLWGTHIKSA-N 1 3 344.503 2.481 10 0 EEAEHO O=C([C@H](C[NH+]1CCCC1)c1ccccc1)N1CCN2CCC1CC2 ZINC000613862413 469807266 /nfs/dbraw/zinc/80/72/66/469807266.db2.gz XTRHGUJCJYZPRM-LJQANCHMSA-N 1 3 327.472 2.173 10 0 EEAEHO CC(C)(C)N1CC[C@@H]1CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634649185 470274598 /nfs/dbraw/zinc/27/45/98/470274598.db2.gz ILAOJWSLVKGVGL-UYAOXDASSA-N 1 3 331.504 2.086 10 0 EEAEHO CC(C)(C)N1CC[C@@H]1CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649185 470274599 /nfs/dbraw/zinc/27/45/99/470274599.db2.gz ILAOJWSLVKGVGL-UYAOXDASSA-N 1 3 331.504 2.086 10 0 EEAEHO C[C@](O)(C[C@H](O)CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634712308 470284553 /nfs/dbraw/zinc/28/45/53/470284553.db2.gz CIBUBEWLCCREFX-HOJAQTOUSA-N 1 3 332.488 2.010 10 0 EEAEHO C[C@](O)(C[C@H](O)CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000634712308 470284554 /nfs/dbraw/zinc/28/45/54/470284554.db2.gz CIBUBEWLCCREFX-HOJAQTOUSA-N 1 3 332.488 2.010 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770651 470304264 /nfs/dbraw/zinc/30/42/64/470304264.db2.gz SQSHAERMAUUQAG-HYJFEMIMSA-N 1 3 327.472 2.013 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCC34CC4)CC2)CC1 ZINC000632978959 470305464 /nfs/dbraw/zinc/30/54/64/470305464.db2.gz MEGSIQLGDSOWPQ-KRWDZBQOSA-N 1 3 334.508 2.177 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000633803774 470597222 /nfs/dbraw/zinc/59/72/22/470597222.db2.gz PIGRUKOFAKGIMH-AOIWGVFYSA-N 1 3 329.488 2.213 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000633803774 470597225 /nfs/dbraw/zinc/59/72/25/470597225.db2.gz PIGRUKOFAKGIMH-AOIWGVFYSA-N 1 3 329.488 2.213 10 0 EEAEHO CCN1CCN([C@H](C)C[NH2+]Cc2cnn(-c3ccccc3C)c2)CC1 ZINC000647171401 470847700 /nfs/dbraw/zinc/84/77/00/470847700.db2.gz IWAWBWPTRYJLEX-GOSISDBHSA-N 1 3 341.503 2.296 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000654858148 471204878 /nfs/dbraw/zinc/20/48/78/471204878.db2.gz CVPFDQJCNQBRNU-ZHALLVOQSA-N 1 3 329.488 2.355 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000654858148 471204885 /nfs/dbraw/zinc/20/48/85/471204885.db2.gz CVPFDQJCNQBRNU-ZHALLVOQSA-N 1 3 329.488 2.355 10 0 EEAEHO [NH3+]CC1(CCNC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000652119757 471238674 /nfs/dbraw/zinc/23/86/74/471238674.db2.gz YJJGFKHUPZSFPU-CQSZACIVSA-N 1 3 336.505 2.313 10 0 EEAEHO [NH3+]CC1(CCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000652119756 471239039 /nfs/dbraw/zinc/23/90/39/471239039.db2.gz YJJGFKHUPZSFPU-AWEZNQCLSA-N 1 3 336.505 2.313 10 0 EEAEHO CC[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)N1CCc2ccccc2C1 ZINC000652127398 471240314 /nfs/dbraw/zinc/24/03/14/471240314.db2.gz QKCYAPGFHHAHEA-SFHVURJKSA-N 1 3 344.503 2.252 10 0 EEAEHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652240457 471261002 /nfs/dbraw/zinc/26/10/02/471261002.db2.gz BZVBVMPPQDJBRV-KRWDZBQOSA-N 1 3 330.476 2.031 10 0 EEAEHO C[C@H](C1CC1)N(C(=O)CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)C1CC1 ZINC000652361674 471280176 /nfs/dbraw/zinc/28/01/76/471280176.db2.gz MCYWHUBXYURTIX-YCEFEEMOSA-N 1 3 349.519 2.137 10 0 EEAEHO [NH3+]C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(F)(F)F ZINC000655515321 471360812 /nfs/dbraw/zinc/36/08/12/471360812.db2.gz XWLJIPVLZASVMD-TZMCWYRMSA-N 1 3 347.356 2.044 10 0 EEAEHO COC1CCN(C2(CNC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)CCCC2)CC1 ZINC000653118276 471497471 /nfs/dbraw/zinc/49/74/71/471497471.db2.gz HMMVHHAJQWNIFQ-QZTJIDSGSA-N 1 3 349.519 2.057 10 0 EEAEHO CN(C)CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000667117638 471660359 /nfs/dbraw/zinc/66/03/59/471660359.db2.gz ZOGNCCVUEWKWCY-SFHVURJKSA-N 1 3 344.503 2.150 10 0 EEAEHO CN(C)CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000667117638 471660365 /nfs/dbraw/zinc/66/03/65/471660365.db2.gz ZOGNCCVUEWKWCY-SFHVURJKSA-N 1 3 344.503 2.150 10 0 EEAEHO CCN(C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)[C@H]1CCN(CC)C1 ZINC000664498794 471770451 /nfs/dbraw/zinc/77/04/51/471770451.db2.gz OHUKFDKDCGCEBB-MSOLQXFVSA-N 1 3 338.540 2.480 10 0 EEAEHO CCN(C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1CCN(CC)C1 ZINC000664498794 471770455 /nfs/dbraw/zinc/77/04/55/471770455.db2.gz OHUKFDKDCGCEBB-MSOLQXFVSA-N 1 3 338.540 2.480 10 0 EEAEHO Fc1cccc(CN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]2CCCO2)c1 ZINC000662254284 472043858 /nfs/dbraw/zinc/04/38/58/472043858.db2.gz OXIPUJUMYIHWQD-ZWKOTPCHSA-N 1 3 334.435 2.328 10 0 EEAEHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000415954682 528355578 /nfs/dbraw/zinc/35/55/78/528355578.db2.gz MJTRSHIVYWEDNH-KRWDZBQOSA-N 1 3 336.505 2.355 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2)n1C ZINC000742068481 578126990 /nfs/dbraw/zinc/12/69/90/578126990.db2.gz SLTMDNFZBSKJIJ-UHFFFAOYSA-N 1 3 342.487 2.258 10 0 EEAEHO C[C@H]1CN(Cc2ccc(-n3cncn3)cc2)CCN1c1cc[nH+]cc1 ZINC000895556268 684641224 /nfs/dbraw/zinc/64/12/24/684641224.db2.gz GPTZQSDBQQGMOG-INIZCTEOSA-N 1 3 334.427 2.373 10 0 EEAEHO Cc1ncsc1C[NH2+]CCC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001485739734 1191916615 /nfs/dbraw/zinc/91/66/15/1191916615.db2.gz ZDZZNZPQSXRAOJ-UONOGXRCSA-N 1 3 338.521 2.168 10 0 EEAEHO Cc1nc(C)c(CN[C@H]2C[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)o1 ZINC001266641386 1177041930 /nfs/dbraw/zinc/04/19/30/1177041930.db2.gz BEEYSLCRJNTIDV-QAQDUYKDSA-N 1 3 348.491 2.294 10 0 EEAEHO CC(C)OCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001691396293 1178001798 /nfs/dbraw/zinc/00/17/98/1178001798.db2.gz XTUSFSNAINKKTO-OKZBNKHCSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)OCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001691396293 1178001806 /nfs/dbraw/zinc/00/18/06/1178001806.db2.gz XTUSFSNAINKKTO-OKZBNKHCSA-N 1 3 339.524 2.065 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(OC)cc1 ZINC001267117407 1178281191 /nfs/dbraw/zinc/28/11/91/1178281191.db2.gz RZJIASAZNASCBJ-SFHVURJKSA-N 1 3 333.476 2.118 10 0 EEAEHO CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001267724204 1180287235 /nfs/dbraw/zinc/28/72/35/1180287235.db2.gz RIOFUHXKHLKBQE-KRWDZBQOSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)OCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001267724204 1180287239 /nfs/dbraw/zinc/28/72/39/1180287239.db2.gz RIOFUHXKHLKBQE-KRWDZBQOSA-N 1 3 339.524 2.257 10 0 EEAEHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001267819291 1180578434 /nfs/dbraw/zinc/57/84/34/1180578434.db2.gz CHRYSOYCCASYMT-UKRRQHHQSA-N 1 3 338.883 2.061 10 0 EEAEHO CO[C@H](C)C[NH2+]CCC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001267914803 1180755095 /nfs/dbraw/zinc/75/50/95/1180755095.db2.gz NPMWGMIXRHASFP-MRXNPFEDSA-N 1 3 341.540 2.218 10 0 EEAEHO Cc1ncccc1C[N@@H+](C)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001481521719 1181634963 /nfs/dbraw/zinc/63/49/63/1181634963.db2.gz OQUOKGOFDBVWJC-UHFFFAOYSA-N 1 3 346.519 2.401 10 0 EEAEHO Cc1ncccc1C[N@H+](C)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001481521719 1181634965 /nfs/dbraw/zinc/63/49/65/1181634965.db2.gz OQUOKGOFDBVWJC-UHFFFAOYSA-N 1 3 346.519 2.401 10 0 EEAEHO Cc1cccc(OCC[NH2+]C[C@H](C)N(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001268084563 1181702025 /nfs/dbraw/zinc/70/20/25/1181702025.db2.gz GQABCCSPFTXHRC-MSOLQXFVSA-N 1 3 347.503 2.152 10 0 EEAEHO CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001268593451 1183409670 /nfs/dbraw/zinc/40/96/70/1183409670.db2.gz XUAROZXGIBNIEA-XFHJGTJQSA-N 1 3 328.460 2.270 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001270743579 1185358678 /nfs/dbraw/zinc/35/86/78/1185358678.db2.gz AKNXFKNVLAHDNR-UYAOXDASSA-N 1 3 331.504 2.398 10 0 EEAEHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCCCCF ZINC001482422686 1185667337 /nfs/dbraw/zinc/66/73/37/1185667337.db2.gz KYITXQOOKNZURI-NVXWUHKLSA-N 1 3 327.488 2.437 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cc(C)no1 ZINC001271599712 1186331518 /nfs/dbraw/zinc/33/15/18/1186331518.db2.gz LVDSEFFJBPIYME-INIZCTEOSA-N 1 3 336.480 2.186 10 0 EEAEHO COc1cccc([C@@H](C)N(C)CCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001482628194 1187453182 /nfs/dbraw/zinc/45/31/82/1187453182.db2.gz HZGGWBGGPQRYKM-DLBZAZTESA-N 1 3 347.503 2.488 10 0 EEAEHO COc1cccc([C@@H](C)N(C)CCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001482628194 1187453188 /nfs/dbraw/zinc/45/31/88/1187453188.db2.gz HZGGWBGGPQRYKM-DLBZAZTESA-N 1 3 347.503 2.488 10 0 EEAEHO CCN(CC[NH2+]Cc1ccc(Cl)nc1)C(=O)CN(C)C1CCC1 ZINC001482931389 1187853349 /nfs/dbraw/zinc/85/33/49/1187853349.db2.gz OCEAGXPQDORMOB-UHFFFAOYSA-N 1 3 338.883 2.157 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H]1CCCc2ccccc21 ZINC001482992707 1187970815 /nfs/dbraw/zinc/97/08/15/1187970815.db2.gz YIEQNTOTBWAFJY-NYQZOWANSA-N 1 3 327.472 2.420 10 0 EEAEHO C[C@H](CNCc1ccccn1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001483128289 1188604509 /nfs/dbraw/zinc/60/45/09/1188604509.db2.gz ALDSJTYDMIZILG-IAGOWNOFSA-N 1 3 344.503 2.331 10 0 EEAEHO C[C@H](CNCc1ccccn1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001483128289 1188604512 /nfs/dbraw/zinc/60/45/12/1188604512.db2.gz ALDSJTYDMIZILG-IAGOWNOFSA-N 1 3 344.503 2.331 10 0 EEAEHO CC(C)c1cccc(CNC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001483184937 1189051344 /nfs/dbraw/zinc/05/13/44/1189051344.db2.gz XMSKWZCUODGMHF-CVEARBPZSA-N 1 3 332.492 2.141 10 0 EEAEHO CC(C)c1cccc(CNC[C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001483184937 1189051348 /nfs/dbraw/zinc/05/13/48/1189051348.db2.gz XMSKWZCUODGMHF-CVEARBPZSA-N 1 3 332.492 2.141 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1cc(C)ccc1OC ZINC001483232592 1189612566 /nfs/dbraw/zinc/61/25/66/1189612566.db2.gz DWVRXVUAYLCJPE-FUHWJXTLSA-N 1 3 347.503 2.472 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1cc(C)ccc1OC ZINC001483232592 1189612568 /nfs/dbraw/zinc/61/25/68/1189612568.db2.gz DWVRXVUAYLCJPE-FUHWJXTLSA-N 1 3 347.503 2.472 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001483565309 1190554700 /nfs/dbraw/zinc/55/47/00/1190554700.db2.gz SWOUVUAZIHQACI-ZIAGYGMSSA-N 1 3 335.414 2.298 10 0 EEAEHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCOC(C)C ZINC001483615613 1190591411 /nfs/dbraw/zinc/59/14/11/1190591411.db2.gz OFURQQTUPJBLHO-WMZOPIPTSA-N 1 3 339.524 2.112 10 0 EEAEHO CC[C@@H](C(=O)NC1(C[NH2+]Cc2ccccn2)CCCCC1)N(C)C ZINC001409791629 1190623305 /nfs/dbraw/zinc/62/33/05/1190623305.db2.gz XAPBHYWGPVEZQB-KRWDZBQOSA-N 1 3 332.492 2.331 10 0 EEAEHO CC(C)OCCC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001483916533 1191115507 /nfs/dbraw/zinc/11/55/07/1191115507.db2.gz ADVMJMSQFFKPGX-SJORKVTESA-N 1 3 327.513 2.111 10 0 EEAEHO C[C@@H](O)CCC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001483959409 1191128284 /nfs/dbraw/zinc/12/82/84/1191128284.db2.gz SYYFKAWFPRIEJC-APWZRJJASA-N 1 3 347.503 2.103 10 0 EEAEHO Cc1ncsc1CNC[C@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001484006149 1191149963 /nfs/dbraw/zinc/14/99/63/1191149963.db2.gz CIWYERBCWNWIDN-HNNXBMFYSA-N 1 3 338.521 2.168 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCOC(C)C)C2 ZINC001484321120 1191303650 /nfs/dbraw/zinc/30/36/50/1191303650.db2.gz CQJOYAXEAHSUHK-BBWFWOEESA-N 1 3 348.491 2.045 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCOC(C)C)C2 ZINC001484321120 1191303651 /nfs/dbraw/zinc/30/36/51/1191303651.db2.gz CQJOYAXEAHSUHK-BBWFWOEESA-N 1 3 348.491 2.045 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(F)cc2)C1 ZINC001484359614 1191315287 /nfs/dbraw/zinc/31/52/87/1191315287.db2.gz XDUVDVBIFKDULB-WBVHZDCISA-N 1 3 335.467 2.493 10 0 EEAEHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]C/C=C\Cl)CC2)C1 ZINC001484571759 1191424600 /nfs/dbraw/zinc/42/46/00/1191424600.db2.gz HSDLYCWODFLSRO-RVBKYCJKSA-N 1 3 327.900 2.345 10 0 EEAEHO CC[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cncc(C)c2)CC1)N(C)C ZINC001484725218 1191485934 /nfs/dbraw/zinc/48/59/34/1191485934.db2.gz ZOTIFCRKFFGARF-QZTJIDSGSA-N 1 3 332.492 2.201 10 0 EEAEHO CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(C)c2)CC1)N(C)C ZINC001484725218 1191485936 /nfs/dbraw/zinc/48/59/36/1191485936.db2.gz ZOTIFCRKFFGARF-QZTJIDSGSA-N 1 3 332.492 2.201 10 0 EEAEHO COCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001484772662 1191515163 /nfs/dbraw/zinc/51/51/63/1191515163.db2.gz YRYXWVRRMLXUAP-AEFFLSMTSA-N 1 3 348.491 2.082 10 0 EEAEHO COCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001484772662 1191515164 /nfs/dbraw/zinc/51/51/64/1191515164.db2.gz YRYXWVRRMLXUAP-AEFFLSMTSA-N 1 3 348.491 2.082 10 0 EEAEHO CCC1(NCc2ccon2)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001484819391 1191539578 /nfs/dbraw/zinc/53/95/78/1191539578.db2.gz ODCKYRCXIZVZKP-UHFFFAOYSA-N 1 3 336.480 2.267 10 0 EEAEHO Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001484927949 1191573853 /nfs/dbraw/zinc/57/38/53/1191573853.db2.gz APGSXJPRPMDBEQ-UHFFFAOYSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH]cn2)c(C)n1 ZINC001485259765 1191708585 /nfs/dbraw/zinc/70/85/85/1191708585.db2.gz AZOLRHCLUANBDX-UHFFFAOYSA-N 1 3 343.475 2.238 10 0 EEAEHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)[C@@H](C)c1cccc(F)c1 ZINC001485375787 1191764530 /nfs/dbraw/zinc/76/45/30/1191764530.db2.gz AFULCCLXQNUXNL-CABCVRRESA-N 1 3 333.451 2.419 10 0 EEAEHO CC[N@H+](C)CCC(=O)NC1(CNCc2conc2C)CCCCC1 ZINC001485455917 1191791877 /nfs/dbraw/zinc/79/18/77/1191791877.db2.gz APSJJVPMMVTRLF-UHFFFAOYSA-N 1 3 336.480 2.234 10 0 EEAEHO CC[N@@H+](C)CCC(=O)NC1(CNCc2conc2C)CCCCC1 ZINC001485455917 1191791879 /nfs/dbraw/zinc/79/18/79/1191791879.db2.gz APSJJVPMMVTRLF-UHFFFAOYSA-N 1 3 336.480 2.234 10 0 EEAEHO Cc1ncoc1CNC[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001486220727 1193758335 /nfs/dbraw/zinc/75/83/35/1193758335.db2.gz OPEMRIBKECHCOB-IRXDYDNUSA-N 1 3 348.491 2.234 10 0 EEAEHO CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C(F)(F)F ZINC001486252755 1193779835 /nfs/dbraw/zinc/77/98/35/1193779835.db2.gz IIZZPDPPGXKJJF-JSGCOSHPSA-N 1 3 335.414 2.107 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCc4ccccc43)C[C@H]21 ZINC001410114583 1197554714 /nfs/dbraw/zinc/55/47/14/1197554714.db2.gz HEMSJAJGFFHZTG-HAGHYFMRSA-N 1 3 341.499 2.310 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCc4ccccc43)C[C@H]21 ZINC001410114583 1197554718 /nfs/dbraw/zinc/55/47/18/1197554718.db2.gz HEMSJAJGFFHZTG-HAGHYFMRSA-N 1 3 341.499 2.310 10 0 EEAEHO CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CCO1 ZINC001273260368 1197840965 /nfs/dbraw/zinc/84/09/65/1197840965.db2.gz IHVJQFZEFVGDME-QZTJIDSGSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)N2CCCC2)cc1 ZINC000870875829 1200925552 /nfs/dbraw/zinc/92/55/52/1200925552.db2.gz LBIDBJVZBXETMV-LXZJYRNTSA-N 1 3 327.472 2.376 10 0 EEAEHO CC(C)(C)[C@@]1(CN)CC[N@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000866705862 1201585012 /nfs/dbraw/zinc/58/50/12/1201585012.db2.gz IOQYYHRBLNRMQX-LJQANCHMSA-N 1 3 346.475 2.422 10 0 EEAEHO CC(C)(C)[C@@]1(CN)CC[N@@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000866705862 1201585014 /nfs/dbraw/zinc/58/50/14/1201585014.db2.gz IOQYYHRBLNRMQX-LJQANCHMSA-N 1 3 346.475 2.422 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)NCCCCC3CC3)CC2)CC1 ZINC000868212554 1201765717 /nfs/dbraw/zinc/76/57/17/1201765717.db2.gz VYFOPUJQMYUKSZ-UHFFFAOYSA-N 1 3 336.524 2.425 10 0 EEAEHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1CC[NH2+]CCOC1CCC1 ZINC001691732132 1204238767 /nfs/dbraw/zinc/23/87/67/1204238767.db2.gz JHQKBCFJYHMZAA-CRAIPNDOSA-N 1 3 348.491 2.128 10 0 EEAEHO C[NH+](C)CC1(C(=O)NC/C=C/CN[C@@H]2CCc3ccc(F)cc32)CC1 ZINC001274318224 1204995910 /nfs/dbraw/zinc/99/59/10/1204995910.db2.gz MJFPNTYQJIGTQK-OAJJDEHYSA-N 1 3 345.462 2.417 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC/C=C\C[NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001274367665 1205011602 /nfs/dbraw/zinc/01/16/02/1205011602.db2.gz DNMSINXQGUASBT-JIYQYTEPSA-N 1 3 343.462 2.416 10 0 EEAEHO CN(CCC[NH2+]Cc1ccc(C2CC2)cc1)C(=O)Cc1c[nH]cn1 ZINC001276245454 1205852116 /nfs/dbraw/zinc/85/21/16/1205852116.db2.gz KQIXXDXXBICTPR-UHFFFAOYSA-N 1 3 326.444 2.468 10 0 EEAEHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC000924963870 1206056143 /nfs/dbraw/zinc/05/61/43/1206056143.db2.gz HDWHNXIPMQQOKL-AEFFLSMTSA-N 1 3 330.476 2.100 10 0 EEAEHO C[C@H]1[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CCN1C ZINC000925326512 1206097604 /nfs/dbraw/zinc/09/76/04/1206097604.db2.gz MEXHQQAZHIISCO-LPHOPBHVSA-N 1 3 344.503 2.385 10 0 EEAEHO [NH3+][C@H]1C[C@H](NCCN2CCN(c3cccc(Cl)c3)CC2)C12CCC2 ZINC000925583990 1206132226 /nfs/dbraw/zinc/13/22/26/1206132226.db2.gz ONQDHTIKRODTES-ROUUACIJSA-N 1 3 348.922 2.322 10 0 EEAEHO C1CC2(C1)[C@H]([NH2+][C@H]1CCNC[C@@H]1C1CCCC1)C[C@H]2N1CCOCC1 ZINC000925709794 1206145385 /nfs/dbraw/zinc/14/53/85/1206145385.db2.gz VXWDFIUQMRCOAP-IYWMVGAKSA-N 1 3 347.547 2.388 10 0 EEAEHO COC1(OC)CC[C@H]1NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000926376562 1206217067 /nfs/dbraw/zinc/21/70/67/1206217067.db2.gz CZQKFVYSHVJPKW-GOSISDBHSA-N 1 3 334.460 2.401 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000928435380 1206383006 /nfs/dbraw/zinc/38/30/06/1206383006.db2.gz LZJLCVPCJHPDFK-BHIYHBOVSA-N 1 3 329.488 2.150 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000928435380 1206383008 /nfs/dbraw/zinc/38/30/08/1206383008.db2.gz LZJLCVPCJHPDFK-BHIYHBOVSA-N 1 3 329.488 2.150 10 0 EEAEHO CC[NH+](CC)CCO[C@H]1CCN(C[C@](O)(CC)C(F)(F)F)C1 ZINC000929771144 1206500360 /nfs/dbraw/zinc/50/03/60/1206500360.db2.gz KLMKNFATAAWXRG-UONOGXRCSA-N 1 3 326.403 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ZINC001447091068 1101972507 /nfs/dbraw/zinc/97/25/07/1101972507.db2.gz UVBHAXVYCSWKKM-VQIMIIECSA-N 1 3 347.503 2.209 10 0 EEAEHO COc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2(N(C)C)CCC2)c1C ZINC001447872604 1103488712 /nfs/dbraw/zinc/48/87/12/1103488712.db2.gz SCWADCUMPVCZIR-HOTGVXAUSA-N 1 3 347.503 2.471 10 0 EEAEHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001480814155 1107166075 /nfs/dbraw/zinc/16/60/75/1107166075.db2.gz ULXIIGATEQJIMX-CYBMUJFWSA-N 1 3 326.872 2.060 10 0 EEAEHO CC(C)=CC[NH2+]C1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001499353010 1112246790 /nfs/dbraw/zinc/24/67/90/1112246790.db2.gz XDFCMELOVLYKLO-GOSISDBHSA-N 1 3 325.472 2.404 10 0 EEAEHO O=C(N[C@H](CNCc1cncs1)C1CCCC1)C12CC[NH+](CC1)C2 ZINC001500122657 1112627159 /nfs/dbraw/zinc/62/71/59/1112627159.db2.gz IHPRICJQLCOKEE-MRXNPFEDSA-N 1 3 348.516 2.004 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccccc2F)C1 ZINC001501091316 1113195774 /nfs/dbraw/zinc/19/57/74/1113195774.db2.gz MSYVMAQUHKDFDH-RDJZCZTQSA-N 1 3 335.467 2.493 10 0 EEAEHO Cc1ncsc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001501091746 1113196085 /nfs/dbraw/zinc/19/60/85/1113196085.db2.gz QAYLVPNVWZSSJN-ZFWWWQNUSA-N 1 3 338.521 2.118 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001505760554 1114174521 /nfs/dbraw/zinc/17/45/21/1114174521.db2.gz MHDNBCCNQOKVSO-CVEARBPZSA-N 1 3 334.508 2.076 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(Cl)n2)C1)N(C)C ZINC001506897864 1114958361 /nfs/dbraw/zinc/95/83/61/1114958361.db2.gz WPCJXLISIJTETQ-QEJZJMRPSA-N 1 3 338.883 2.060 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@H](C)CN(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001507128391 1115123341 /nfs/dbraw/zinc/12/33/41/1115123341.db2.gz VDEQBXZQPZFLOQ-ZWKOTPCHSA-N 1 3 347.503 2.152 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCNCc2ocnc2C)C1 ZINC001568669902 1124683817 /nfs/dbraw/zinc/68/38/17/1124683817.db2.gz YRHGDSVZXDLADB-GOEBONIOSA-N 1 3 336.480 2.089 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCNCc2ocnc2C)C1 ZINC001568669902 1124683820 /nfs/dbraw/zinc/68/38/20/1124683820.db2.gz YRHGDSVZXDLADB-GOEBONIOSA-N 1 3 336.480 2.089 10 0 EEAEHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCN2CCc3ccccc3C2)C1 ZINC000416175301 529799097 /nfs/dbraw/zinc/79/90/97/529799097.db2.gz HRUGATZWFQNHRJ-WOJBJXKFSA-N 1 3 341.499 2.378 10 0 EEAEHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCN2CCc3ccccc3C2)C1 ZINC000416175301 529799098 /nfs/dbraw/zinc/79/90/98/529799098.db2.gz HRUGATZWFQNHRJ-WOJBJXKFSA-N 1 3 341.499 2.378 10 0 EEAEHO CC[C@@H]1CN(CCN(C)Cc2ccc(F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000181688069 539586390 /nfs/dbraw/zinc/58/63/90/539586390.db2.gz ICKCQIWOBAZYQX-VQIMIIECSA-N 1 3 337.483 2.035 10 0 EEAEHO CC[C@@H]1CN(CCN(C)Cc2ccc(F)cc2)CC[N@H+]1C[C@@H](C)O ZINC000181688069 539586393 /nfs/dbraw/zinc/58/63/93/539586393.db2.gz ICKCQIWOBAZYQX-VQIMIIECSA-N 1 3 337.483 2.035 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000103309147 219289218 /nfs/dbraw/zinc/28/92/18/219289218.db2.gz CCLWYDNEVUNIGN-LJQANCHMSA-N 1 3 346.519 2.190 10 0 EEAEHO CN1CC[C@@H](NC(=O)NCC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000179139433 283051216 /nfs/dbraw/zinc/05/12/16/283051216.db2.gz QHXWQMOPUUNCCG-QZTJIDSGSA-N 1 3 330.476 2.073 10 0 EEAEHO CC(C)N1CCN([C@@H](C[NH3+])c2ccccc2Br)CC1 ZINC000036170694 213074183 /nfs/dbraw/zinc/07/41/83/213074183.db2.gz XDCLMMHPTFFCDL-HNNXBMFYSA-N 1 3 326.282 2.475 10 0 EEAEHO CN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418773089 239322808 /nfs/dbraw/zinc/32/28/08/239322808.db2.gz QCRYICFITNCRRN-OALUTQOASA-N 1 3 344.503 2.435 10 0 EEAEHO CCO[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)[C@@H](C)N)[C@@H]1n1cccn1 ZINC000423146033 240383266 /nfs/dbraw/zinc/38/32/66/240383266.db2.gz NOVJWLXXYSLHKE-FTWQHDNSSA-N 1 3 328.460 2.150 10 0 EEAEHO CC(C)C[C@H](CN(C)C)NC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000079688997 217248911 /nfs/dbraw/zinc/24/89/11/217248911.db2.gz UNTCRQUAOIKUQF-IAGOWNOFSA-N 1 3 326.529 2.384 10 0 EEAEHO CN(C)CCN1C(=O)CC[C@@H]2C[N@@H+](CCCc3ccccc3)CC[C@@H]21 ZINC000011910291 211268237 /nfs/dbraw/zinc/26/82/37/211268237.db2.gz GRQWAYQQQODLPH-UXHICEINSA-N 1 3 343.515 2.494 10 0 EEAEHO CN(C)CCN1C(=O)CC[C@@H]2C[N@H+](CCCc3ccccc3)CC[C@@H]21 ZINC000011910291 211268242 /nfs/dbraw/zinc/26/82/42/211268242.db2.gz GRQWAYQQQODLPH-UXHICEINSA-N 1 3 343.515 2.494 10 0 EEAEHO C[C@H]1CN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cn2)C[C@H](C)O1 ZINC000248884457 160366021 /nfs/dbraw/zinc/36/60/21/160366021.db2.gz LSCLONDHSDAIFW-KDEOWCQBSA-N 1 3 344.503 2.410 10 0 EEAEHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000097358949 286832035 /nfs/dbraw/zinc/83/20/35/286832035.db2.gz YKDQFIHPLOGBFC-WMZOPIPTSA-N 1 3 332.492 2.463 10 0 EEAEHO CN(C(=O)N[C@H]1CCN(C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000354974589 163037810 /nfs/dbraw/zinc/03/78/10/163037810.db2.gz DGBNICQFOHOLLW-HKUYNNGSSA-N 1 3 342.487 2.139 10 0 EEAEHO CN(C(=O)N[C@H]1CCN(C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000354974589 163037812 /nfs/dbraw/zinc/03/78/12/163037812.db2.gz DGBNICQFOHOLLW-HKUYNNGSSA-N 1 3 342.487 2.139 10 0 EEAEHO C[C@H](NC(=O)N1CCN2CCC1CC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000367914269 166019797 /nfs/dbraw/zinc/01/97/97/166019797.db2.gz BIIFZDSTHQLSIK-JKSUJKDBSA-N 1 3 334.508 2.129 10 0 EEAEHO C[C@H](NC(=O)N1CCN2CCC1CC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000367914269 166019799 /nfs/dbraw/zinc/01/97/99/166019799.db2.gz BIIFZDSTHQLSIK-JKSUJKDBSA-N 1 3 334.508 2.129 10 0 EEAEHO C[C@H](NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)C1=CC[N@H+](C)CC1 ZINC000272686917 269008209 /nfs/dbraw/zinc/00/82/09/269008209.db2.gz BQLNQRVSGDVMRG-SNRMKQJTSA-N 1 3 342.487 2.381 10 0 EEAEHO C[C@H](NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000272686917 269008212 /nfs/dbraw/zinc/00/82/12/269008212.db2.gz BQLNQRVSGDVMRG-SNRMKQJTSA-N 1 3 342.487 2.381 10 0 EEAEHO CN(C)C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000121439995 289207361 /nfs/dbraw/zinc/20/73/61/289207361.db2.gz LGSPXCKLARZFBF-QAPCUYQASA-N 1 3 330.476 2.073 10 0 EEAEHO CN(C)C[C@H](NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000121439995 289207366 /nfs/dbraw/zinc/20/73/66/289207366.db2.gz LGSPXCKLARZFBF-QAPCUYQASA-N 1 3 330.476 2.073 10 0 EEAEHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417542186 313536799 /nfs/dbraw/zinc/53/67/99/313536799.db2.gz ZODOERCFVULIAI-NUJGCVRESA-N 1 3 336.524 2.423 10 0 EEAEHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000527798928 317265730 /nfs/dbraw/zinc/26/57/30/317265730.db2.gz JDGCRNCTOQHESV-WMZOPIPTSA-N 1 3 336.524 2.425 10 0 EEAEHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000527798928 317265733 /nfs/dbraw/zinc/26/57/33/317265733.db2.gz JDGCRNCTOQHESV-WMZOPIPTSA-N 1 3 336.524 2.425 10 0 EEAEHO NC[C@@H]1c2ccccc2CCN1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000563092272 318971138 /nfs/dbraw/zinc/97/11/38/318971138.db2.gz JDHSMLNTHRDXHF-LJQANCHMSA-N 1 3 342.487 2.129 10 0 EEAEHO O[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000568974324 319534886 /nfs/dbraw/zinc/53/48/86/319534886.db2.gz CYUYIECARBZVTM-DSKINZAPSA-N 1 3 338.451 2.436 10 0 EEAEHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000186571328 323445107 /nfs/dbraw/zinc/44/51/07/323445107.db2.gz YIKVWPJCYCXDIH-INIZCTEOSA-N 1 3 347.507 2.200 10 0 EEAEHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000085393882 462543980 /nfs/dbraw/zinc/54/39/80/462543980.db2.gz VMPUCLRSGPHBTH-NEWSRXKRSA-N 1 3 346.519 2.141 10 0 EEAEHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000085393882 462543983 /nfs/dbraw/zinc/54/39/83/462543983.db2.gz VMPUCLRSGPHBTH-NEWSRXKRSA-N 1 3 346.519 2.141 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000063710952 462664774 /nfs/dbraw/zinc/66/47/74/462664774.db2.gz ZRNVPILQMQLKFT-KRWDZBQOSA-N 1 3 347.503 2.477 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000063710952 462664777 /nfs/dbraw/zinc/66/47/77/462664777.db2.gz ZRNVPILQMQLKFT-KRWDZBQOSA-N 1 3 347.503 2.477 10 0 EEAEHO C[NH+](C)C1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000063734820 462668032 /nfs/dbraw/zinc/66/80/32/462668032.db2.gz UCRQMSGLKXPKDA-UHFFFAOYSA-N 1 3 329.488 2.451 10 0 EEAEHO COc1cccc([C@H](C)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000262200218 463971268 /nfs/dbraw/zinc/97/12/68/463971268.db2.gz KLIUFADUMACDMS-FCEWJHQRSA-N 1 3 345.487 2.336 10 0 EEAEHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172232738 464023360 /nfs/dbraw/zinc/02/33/60/464023360.db2.gz WJKKBBWRCGJQAR-RBUKOAKNSA-N 1 3 342.487 2.141 10 0 EEAEHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172232738 464023363 /nfs/dbraw/zinc/02/33/63/464023363.db2.gz WJKKBBWRCGJQAR-RBUKOAKNSA-N 1 3 342.487 2.141 10 0 EEAEHO C[N@H+](CCCNC(=O)N1CC[C@@H](N2CC=CC2)C1)Cc1ccccc1 ZINC000173535534 464279354 /nfs/dbraw/zinc/27/93/54/464279354.db2.gz SXMZBEZEQPJWML-LJQANCHMSA-N 1 3 342.487 2.164 10 0 EEAEHO C[N@@H+](CCCNC(=O)N1CC[C@@H](N2CC=CC2)C1)Cc1ccccc1 ZINC000173535534 464279357 /nfs/dbraw/zinc/27/93/57/464279357.db2.gz SXMZBEZEQPJWML-LJQANCHMSA-N 1 3 342.487 2.164 10 0 EEAEHO C[C@H]1C[C@@H](N(C)C(=O)NCCN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000174267254 464385901 /nfs/dbraw/zinc/38/59/01/464385901.db2.gz SYZPYQUFMWIOQB-WMZOPIPTSA-N 1 3 332.492 2.243 10 0 EEAEHO C[C@H]1C[C@@H](N(C)C(=O)NCCN(C)Cc2ccccc2)CC[N@H+]1C ZINC000174267254 464385906 /nfs/dbraw/zinc/38/59/06/464385906.db2.gz SYZPYQUFMWIOQB-WMZOPIPTSA-N 1 3 332.492 2.243 10 0 EEAEHO CC(C)C[C@H]([NH2+][C@H]1C[C@H](OC(C)C)C1(C)C)C(=O)NCCN(C)C ZINC000361023321 465711277 /nfs/dbraw/zinc/71/12/77/465711277.db2.gz UWZFAZAKLDMATN-ULQDDVLXSA-N 1 3 341.540 2.261 10 0 EEAEHO CN1CC[C@H]([NH2+]C[C@H](O)COc2ccc(F)c(F)c2)[C@H]2CCC[C@@H]21 ZINC000353500582 465937285 /nfs/dbraw/zinc/93/72/85/465937285.db2.gz FZFXWHKECRZKHK-YENGBRFLSA-N 1 3 340.414 2.167 10 0 EEAEHO C[N@@H+]1CC[C@H](NC[C@H](O)COc2ccc(F)c(F)c2)[C@H]2CCC[C@@H]21 ZINC000353500582 465937292 /nfs/dbraw/zinc/93/72/92/465937292.db2.gz FZFXWHKECRZKHK-YENGBRFLSA-N 1 3 340.414 2.167 10 0 EEAEHO C[N@H+]1CC[C@H](NC[C@H](O)COc2ccc(F)c(F)c2)[C@H]2CCC[C@@H]21 ZINC000353500582 465937300 /nfs/dbraw/zinc/93/73/00/465937300.db2.gz FZFXWHKECRZKHK-YENGBRFLSA-N 1 3 340.414 2.167 10 0 EEAEHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ncc(COC)s1 ZINC000349059061 465944018 /nfs/dbraw/zinc/94/40/18/465944018.db2.gz BDXLOCCTCDWTIR-OAHLLOKOSA-N 1 3 340.537 2.137 10 0 EEAEHO CC(C)[NH+]1CCC(N[C@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC000374595251 466686787 /nfs/dbraw/zinc/68/67/87/466686787.db2.gz SLWLHOQTEBSUMB-SFHVURJKSA-N 1 3 345.487 2.129 10 0 EEAEHO CC[NH2+]Cc1ccccc1NC(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000415910839 466715916 /nfs/dbraw/zinc/71/59/16/466715916.db2.gz CGVIXHVSGCYHIQ-HZPDHXFCSA-N 1 3 336.505 2.305 10 0 EEAEHO C[C@H](N[C@H]1CNCCC1(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000423471732 466754115 /nfs/dbraw/zinc/75/41/15/466754115.db2.gz HTMWUCGYJCKAOH-BBRMVZONSA-N 1 3 327.419 2.275 10 0 EEAEHO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418166633 467063740 /nfs/dbraw/zinc/06/37/40/467063740.db2.gz ZOOKYIWKYHXVEY-YQQAZPJKSA-N 1 3 332.492 2.322 10 0 EEAEHO CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418431332 467109320 /nfs/dbraw/zinc/10/93/20/467109320.db2.gz WSKLKAUIMIAUQT-QZTJIDSGSA-N 1 3 332.492 2.276 10 0 EEAEHO CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418431331 467109771 /nfs/dbraw/zinc/10/97/71/467109771.db2.gz WSKLKAUIMIAUQT-MSOLQXFVSA-N 1 3 332.492 2.276 10 0 EEAEHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1 ZINC000418466360 467115428 /nfs/dbraw/zinc/11/54/28/467115428.db2.gz RECABNWVHYEYJM-KXBFYZLASA-N 1 3 330.476 2.334 10 0 EEAEHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000418579300 467131283 /nfs/dbraw/zinc/13/12/83/467131283.db2.gz RGDZTIIXFMPJFM-WMZOPIPTSA-N 1 3 332.492 2.066 10 0 EEAEHO CN(C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000418672318 467144540 /nfs/dbraw/zinc/14/45/40/467144540.db2.gz MLCVDNTWUSBUIH-ROUUACIJSA-N 1 3 330.476 2.345 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000389969585 467404821 /nfs/dbraw/zinc/40/48/21/467404821.db2.gz ZFJZPICEHHDUGF-JXFKEZNVSA-N 1 3 337.467 2.438 10 0 EEAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](O)COCC2CC2)CC1 ZINC000449114479 467618785 /nfs/dbraw/zinc/61/87/85/467618785.db2.gz CWGUQGPTEJTQLY-DYESRHJHSA-N 1 3 346.515 2.459 10 0 EEAEHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458346533 467812895 /nfs/dbraw/zinc/81/28/95/467812895.db2.gz SOVGMEBBEHBFOE-YESZJQIVSA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458346533 467812897 /nfs/dbraw/zinc/81/28/97/467812897.db2.gz SOVGMEBBEHBFOE-YESZJQIVSA-N 1 3 336.524 2.375 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)[C@H]1c1ccccc1 ZINC000489937531 468178734 /nfs/dbraw/zinc/17/87/34/468178734.db2.gz ZJCLGBCAFMVDKB-GGPKGHCWSA-N 1 3 342.487 2.169 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)[C@H]1c1ccccc1 ZINC000489937531 468178740 /nfs/dbraw/zinc/17/87/40/468178740.db2.gz ZJCLGBCAFMVDKB-GGPKGHCWSA-N 1 3 342.487 2.169 10 0 EEAEHO Cc1nc(CC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)n[nH]1 ZINC000582664643 468574805 /nfs/dbraw/zinc/57/48/05/468574805.db2.gz LHPACGOKVFUVRX-KRWDZBQOSA-N 1 3 325.460 2.442 10 0 EEAEHO Cc1nnc(CC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000582664643 468574807 /nfs/dbraw/zinc/57/48/07/468574807.db2.gz LHPACGOKVFUVRX-KRWDZBQOSA-N 1 3 325.460 2.442 10 0 EEAEHO [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000571174762 468751057 /nfs/dbraw/zinc/75/10/57/468751057.db2.gz VKGUAMTULSHWAB-IPCDKGFNSA-N 1 3 342.487 2.024 10 0 EEAEHO CS[C@H]1CCCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596693456 469336379 /nfs/dbraw/zinc/33/63/79/469336379.db2.gz VLSXFEBLMJSZOS-HOTGVXAUSA-N 1 3 344.569 2.186 10 0 EEAEHO CS[C@H]1CCCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596693456 469336381 /nfs/dbraw/zinc/33/63/81/469336381.db2.gz VLSXFEBLMJSZOS-HOTGVXAUSA-N 1 3 344.569 2.186 10 0 EEAEHO CN(C)CCc1ccccc1NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000625881502 469423182 /nfs/dbraw/zinc/42/31/82/469423182.db2.gz UONLGSMGRUCVNK-KDURUIRLSA-N 1 3 330.476 2.254 10 0 EEAEHO O=C(NC[C@@H]1CCN1C1CCCCC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000623633394 469717274 /nfs/dbraw/zinc/71/72/74/469717274.db2.gz NNDAPQXWGNVUQT-AEFFLSMTSA-N 1 3 334.508 2.177 10 0 EEAEHO O=C(NC[C@@H]1CCN1C1CCCCC1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000623633394 469717278 /nfs/dbraw/zinc/71/72/78/469717278.db2.gz NNDAPQXWGNVUQT-AEFFLSMTSA-N 1 3 334.508 2.177 10 0 EEAEHO OCCOC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC(F)(F)CC1 ZINC000623638165 469718481 /nfs/dbraw/zinc/71/84/81/469718481.db2.gz XCUNLMNKFIDWAZ-HUUCEWRRSA-N 1 3 332.435 2.160 10 0 EEAEHO OCCOC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC(F)(F)CC1 ZINC000623638165 469718486 /nfs/dbraw/zinc/71/84/86/469718486.db2.gz XCUNLMNKFIDWAZ-HUUCEWRRSA-N 1 3 332.435 2.160 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000626940193 469763577 /nfs/dbraw/zinc/76/35/77/469763577.db2.gz UTJVZXZIFIWZBP-OKZBNKHCSA-N 1 3 330.476 2.091 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627008870 469788157 /nfs/dbraw/zinc/78/81/57/469788157.db2.gz GJBFHGPCAPHGFG-NVXWUHKLSA-N 1 3 330.476 2.091 10 0 EEAEHO CC[NH+](CC)C[C@@H]1CCN(C[C@@H](O)CN(C)Cc2ccccc2)C1 ZINC000608507930 469830012 /nfs/dbraw/zinc/83/00/12/469830012.db2.gz PGOCCSQGAZHMJF-PMACEKPBSA-N 1 3 333.520 2.143 10 0 EEAEHO C[C@H]1CC[C@H](NC(=O)N(CCN(C)C)Cc2cccc(F)c2)C[NH2+]1 ZINC000627197254 469840274 /nfs/dbraw/zinc/84/02/74/469840274.db2.gz YHRXREGNBDEMEM-YOEHRIQHSA-N 1 3 336.455 2.039 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C[NH2+]1 ZINC000627199906 469841242 /nfs/dbraw/zinc/84/12/42/469841242.db2.gz FZGAFFYZFHQITF-KBAYOESNSA-N 1 3 330.476 2.043 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C[NH2+]1 ZINC000627199020 469841763 /nfs/dbraw/zinc/84/17/63/469841763.db2.gz QCENYJKMMYXBLU-AOIWGVFYSA-N 1 3 344.503 2.433 10 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/nfs/dbraw/zinc/68/60/13/470686013.db2.gz MTCGMNIRDMKYJZ-HSALFYBXSA-N 1 3 329.488 2.056 10 0 EEAEHO C[N@H+]1CCC[C@@H]1CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000649751551 470686015 /nfs/dbraw/zinc/68/60/15/470686015.db2.gz MTCGMNIRDMKYJZ-HSALFYBXSA-N 1 3 329.488 2.056 10 0 EEAEHO C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654503022 471043308 /nfs/dbraw/zinc/04/33/08/471043308.db2.gz ZPFIMWLOOKNPFS-FOIPXRHGSA-N 1 3 336.524 2.423 10 0 EEAEHO COc1cc2c(cc1CN[C@@H](C)CN(C)CCC[NH+](C)C)O[C@@H](C)C2 ZINC000657574208 471173258 /nfs/dbraw/zinc/17/32/58/471173258.db2.gz UAKJWVDVGFXLEV-HOTGVXAUSA-N 1 3 349.519 2.380 10 0 EEAEHO CO[C@H](C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)[C@@H]1CCOC1 ZINC000658075373 471264781 /nfs/dbraw/zinc/26/47/81/471264781.db2.gz XKJSWVXMFPGADZ-SZVBFZGTSA-N 1 3 336.476 2.329 10 0 EEAEHO C[N@H+](CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C1CCCC1 ZINC000659031857 471475048 /nfs/dbraw/zinc/47/50/48/471475048.db2.gz DADNRPLQCQTBRX-SFHVURJKSA-N 1 3 346.475 2.343 10 0 EEAEHO C[N@@H+](CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C1CCCC1 ZINC000659031857 471475051 /nfs/dbraw/zinc/47/50/51/471475051.db2.gz DADNRPLQCQTBRX-SFHVURJKSA-N 1 3 346.475 2.343 10 0 EEAEHO CCC[NH+]1CCC(CNC(=O)NCc2ccc3c(c2)CNC3)CC1 ZINC000669432945 471496084 /nfs/dbraw/zinc/49/60/84/471496084.db2.gz JYOKRDQQCMCJRX-UHFFFAOYSA-N 1 3 330.476 2.211 10 0 EEAEHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)c1 ZINC000659434541 471625997 /nfs/dbraw/zinc/62/59/97/471625997.db2.gz YWTNURHLXLXREZ-IAGOWNOFSA-N 1 3 336.455 2.109 10 0 EEAEHO Cc1ccc(CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000664144139 471652926 /nfs/dbraw/zinc/65/29/26/471652926.db2.gz BEXPNDXCTSMUQP-KRWDZBQOSA-N 1 3 334.508 2.109 10 0 EEAEHO Cc1ccc(CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000664144139 471652932 /nfs/dbraw/zinc/65/29/32/471652932.db2.gz BEXPNDXCTSMUQP-KRWDZBQOSA-N 1 3 334.508 2.109 10 0 EEAEHO CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCN(CC)C1 ZINC000664151308 471656847 /nfs/dbraw/zinc/65/68/47/471656847.db2.gz IIFHJFGFCXMGEO-HZPDHXFCSA-N 1 3 326.529 2.479 10 0 EEAEHO COCc1cc(NCC[N@H+](C)CCCN(C)C)c2cc(F)ccc2n1 ZINC000664245916 471694370 /nfs/dbraw/zinc/69/43/70/471694370.db2.gz SYKYTEMTDXWBTM-UHFFFAOYSA-N 1 3 348.466 2.238 10 0 EEAEHO COCc1cc(NCC[N@@H+](C)CCCN(C)C)c2cc(F)ccc2n1 ZINC000664245916 471694377 /nfs/dbraw/zinc/69/43/77/471694377.db2.gz SYKYTEMTDXWBTM-UHFFFAOYSA-N 1 3 348.466 2.238 10 0 EEAEHO CCCCN(C[C@@H](O)C[N@H+](C)CC)[C@@H]1CCc2ncsc2C1 ZINC000653776966 471736695 /nfs/dbraw/zinc/73/66/95/471736695.db2.gz SSTLBQMZJDEPOI-CABCVRRESA-N 1 3 325.522 2.415 10 0 EEAEHO CCCCN(C[C@@H](O)C[N@@H+](C)CC)[C@@H]1CCc2ncsc2C1 ZINC000653776966 471736699 /nfs/dbraw/zinc/73/66/99/471736699.db2.gz SSTLBQMZJDEPOI-CABCVRRESA-N 1 3 325.522 2.415 10 0 EEAEHO OC1([C@@H]2CCCCN2C/C=C\C[N@@H+]2CCCC[C@H]2C2(O)CC2)CC1 ZINC000656708162 471814798 /nfs/dbraw/zinc/81/47/98/471814798.db2.gz UQAWPUILNDJZNR-SLXDBMQSSA-N 1 3 334.504 2.301 10 0 EEAEHO OC1([C@@H]2CCCCN2C/C=C\C[N@H+]2CCCC[C@H]2C2(O)CC2)CC1 ZINC000656708162 471814802 /nfs/dbraw/zinc/81/48/02/471814802.db2.gz UQAWPUILNDJZNR-SLXDBMQSSA-N 1 3 334.504 2.301 10 0 EEAEHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000667756577 471894316 /nfs/dbraw/zinc/89/43/16/471894316.db2.gz ZOBKEEOHVOVHAY-ICSRJNTNSA-N 1 3 330.472 2.300 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(F)c(F)c1F ZINC000665150967 471956225 /nfs/dbraw/zinc/95/62/25/471956225.db2.gz MIAZGGNBHNVQFJ-NSHDSACASA-N 1 3 346.397 2.497 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(F)c(F)c1F ZINC000665150967 471956232 /nfs/dbraw/zinc/95/62/32/471956232.db2.gz MIAZGGNBHNVQFJ-NSHDSACASA-N 1 3 346.397 2.497 10 0 EEAEHO Clc1ccc(C2([NH2+]C[C@@H]3CCC4(CNC4)O3)CCOCC2)cc1 ZINC000662257096 472046553 /nfs/dbraw/zinc/04/65/53/472046553.db2.gz AHLDICVNTGRAGN-INIZCTEOSA-N 1 3 336.863 2.456 10 0 EEAEHO CC[NH+](CC)CCN(Cc1cccs1)C[C@H]1CCC2(CNC2)O1 ZINC000662258852 472046836 /nfs/dbraw/zinc/04/68/36/472046836.db2.gz MNIVUKXTOMAFFH-MRXNPFEDSA-N 1 3 337.533 2.413 10 0 EEAEHO c1nc2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662280338 472054125 /nfs/dbraw/zinc/05/41/25/472054125.db2.gz OBFXKAUIKMLMSO-HZPDHXFCSA-N 1 3 326.444 2.022 10 0 EEAEHO c1nc2ccccc2n1C[C@H]1CCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662280338 472054128 /nfs/dbraw/zinc/05/41/28/472054128.db2.gz OBFXKAUIKMLMSO-HZPDHXFCSA-N 1 3 326.444 2.022 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000665763777 472177328 /nfs/dbraw/zinc/17/73/28/472177328.db2.gz LKCKSDOTGHOXNV-QGTPRVQTSA-N 1 3 336.524 2.088 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000665763777 472177333 /nfs/dbraw/zinc/17/73/33/472177333.db2.gz LKCKSDOTGHOXNV-QGTPRVQTSA-N 1 3 336.524 2.088 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1(C(F)F)CCCC1 ZINC000665762705 472177497 /nfs/dbraw/zinc/17/74/97/472177497.db2.gz NLUAQVALEYNKKX-ZDUSSCGKSA-N 1 3 334.455 2.136 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1(C(F)F)CCCC1 ZINC000665762705 472177501 /nfs/dbraw/zinc/17/75/01/472177501.db2.gz NLUAQVALEYNKKX-ZDUSSCGKSA-N 1 3 334.455 2.136 10 0 EEAEHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000662660495 472193229 /nfs/dbraw/zinc/19/32/29/472193229.db2.gz FKGZNIRQSQHJSW-VAMGGRTRSA-N 1 3 341.499 2.292 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1c1cccn1C ZINC000665637708 485613257 /nfs/dbraw/zinc/61/32/57/485613257.db2.gz MGLYSMGMFGSHMV-FUHWJXTLSA-N 1 3 349.523 2.144 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1c1cccn1C ZINC000665637708 485613260 /nfs/dbraw/zinc/61/32/60/485613260.db2.gz MGLYSMGMFGSHMV-FUHWJXTLSA-N 1 3 349.523 2.144 10 0 EEAEHO C[N@H+](CCOc1cccc(CNC2CSC2)c1)C1CCOCC1 ZINC000679625668 485753344 /nfs/dbraw/zinc/75/33/44/485753344.db2.gz JXLWQVXIIXPCEE-UHFFFAOYSA-N 1 3 336.501 2.381 10 0 EEAEHO C[N@@H+](CCOc1cccc(CNC2CSC2)c1)C1CCOCC1 ZINC000679625668 485753349 /nfs/dbraw/zinc/75/33/49/485753349.db2.gz JXLWQVXIIXPCEE-UHFFFAOYSA-N 1 3 336.501 2.381 10 0 EEAEHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000675199812 485928120 /nfs/dbraw/zinc/92/81/20/485928120.db2.gz NNIXYYQDVGDZLK-SFHVURJKSA-N 1 3 336.524 2.378 10 0 EEAEHO CN(C)CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000678343456 486620358 /nfs/dbraw/zinc/62/03/58/486620358.db2.gz IUKLLIYAODCSPF-HKUYNNGSSA-N 1 3 345.487 2.118 10 0 EEAEHO CN(C)CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000678343456 486620361 /nfs/dbraw/zinc/62/03/61/486620361.db2.gz IUKLLIYAODCSPF-HKUYNNGSSA-N 1 3 345.487 2.118 10 0 EEAEHO C[NH+](C)CC1CCC(NC(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000125348909 490646730 /nfs/dbraw/zinc/64/67/30/490646730.db2.gz FYOMENFONOKKAU-UHFFFAOYSA-N 1 3 345.491 2.034 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)N(C)C3CCC([NH3+])CC3)cc2)CC1 ZINC000161454627 678745872 /nfs/dbraw/zinc/74/58/72/678745872.db2.gz MLEGQASZRYPXHH-UHFFFAOYSA-N 1 3 344.503 2.170 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc3c(c2)COC3)C1 ZINC001485706338 1191899669 /nfs/dbraw/zinc/89/96/69/1191899669.db2.gz FBRSYFRPRUXNHT-RUCARUNLSA-N 1 3 345.487 2.041 10 0 EEAEHO CCOCCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001266758734 1177365633 /nfs/dbraw/zinc/36/56/33/1177365633.db2.gz ZEBNHUGQZLEABI-QGZVFWFLSA-N 1 3 339.524 2.116 10 0 EEAEHO CCOCCC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001266758734 1177365641 /nfs/dbraw/zinc/36/56/41/1177365641.db2.gz ZEBNHUGQZLEABI-QGZVFWFLSA-N 1 3 339.524 2.116 10 0 EEAEHO CCOCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C(C)C ZINC001266868399 1177635208 /nfs/dbraw/zinc/63/52/08/1177635208.db2.gz WCNWXXAWIUTIDE-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1ccnc(Cl)c1 ZINC001266941156 1177858562 /nfs/dbraw/zinc/85/85/62/1177858562.db2.gz BOXCKSDMDBGCCZ-HIFRSBDPSA-N 1 3 338.883 2.204 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1ccnc(Cl)c1 ZINC001266941156 1177858567 /nfs/dbraw/zinc/85/85/67/1177858567.db2.gz BOXCKSDMDBGCCZ-HIFRSBDPSA-N 1 3 338.883 2.204 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCCCCF)C1 ZINC001481093273 1179723114 /nfs/dbraw/zinc/72/31/14/1179723114.db2.gz WUACYAHLEUMEKX-DLBZAZTESA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC001481093273 1179723117 /nfs/dbraw/zinc/72/31/17/1179723117.db2.gz WUACYAHLEUMEKX-DLBZAZTESA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC(C[N@H+](C)C[C@@H]2CCCCO2)CC1 ZINC001481521375 1181638465 /nfs/dbraw/zinc/63/84/65/1181638465.db2.gz BNUKVMQQXQHFJX-SFHVURJKSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC(C[N@@H+](C)C[C@@H]2CCCCO2)CC1 ZINC001481521375 1181638468 /nfs/dbraw/zinc/63/84/68/1181638468.db2.gz BNUKVMQQXQHFJX-SFHVURJKSA-N 1 3 339.524 2.066 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2CC[NH2+]Cc2ccccn2)C1 ZINC001268164647 1181890242 /nfs/dbraw/zinc/89/02/42/1181890242.db2.gz YEDDABWHWLFZJM-IEBWSBKVSA-N 1 3 344.503 2.284 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@H]1CCCOC1 ZINC001268165997 1181901043 /nfs/dbraw/zinc/90/10/43/1181901043.db2.gz JTNFYYJQMCNUBT-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCC2C[NH+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC001481644289 1182042436 /nfs/dbraw/zinc/04/24/36/1182042436.db2.gz FMCYFAMKZROKSS-GDBMZVCRSA-N 1 3 343.462 2.202 10 0 EEAEHO C[C@@H](CCNCc1cc(F)ccc1F)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268414188 1182568260 /nfs/dbraw/zinc/56/82/60/1182568260.db2.gz JTOPPWZXMKNXRQ-KBPBESRZSA-N 1 3 339.430 2.291 10 0 EEAEHO C[C@@H](CCNCc1cc(F)ccc1F)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268414188 1182568265 /nfs/dbraw/zinc/56/82/65/1182568265.db2.gz JTOPPWZXMKNXRQ-KBPBESRZSA-N 1 3 339.430 2.291 10 0 EEAEHO CCN(CC[NH2+]CCc1ccccc1Cl)C(=O)Cc1c[nH]cn1 ZINC001268483018 1182946865 /nfs/dbraw/zinc/94/68/65/1182946865.db2.gz BLGBSKOGUITYJV-UHFFFAOYSA-N 1 3 334.851 2.286 10 0 EEAEHO COc1cccc(CNC/C=C/CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001268628785 1183552324 /nfs/dbraw/zinc/55/23/24/1183552324.db2.gz PYUBZYBNNDUESH-PSUYNTKASA-N 1 3 345.487 2.330 10 0 EEAEHO COc1cccc(CNC/C=C/CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001268628785 1183552326 /nfs/dbraw/zinc/55/23/26/1183552326.db2.gz PYUBZYBNNDUESH-PSUYNTKASA-N 1 3 345.487 2.330 10 0 EEAEHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]C/C=C/Cl)CCC1 ZINC001268768527 1183686174 /nfs/dbraw/zinc/68/61/74/1183686174.db2.gz YKYBZRZUTXKJFE-GFKCUXFZSA-N 1 3 327.900 2.488 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001268846956 1183763290 /nfs/dbraw/zinc/76/32/90/1183763290.db2.gz BEQHFRNOFNYROX-AWEZNQCLSA-N 1 3 339.430 2.245 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)N[C@](C)(CNCC=C(Cl)Cl)C2CC2)C1 ZINC001269653059 1184481751 /nfs/dbraw/zinc/48/17/51/1184481751.db2.gz UQURJGPTPNXEIS-XHDPSFHLSA-N 1 3 334.291 2.132 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)N[C@](C)(CNCC=C(Cl)Cl)C2CC2)C1 ZINC001269653059 1184481754 /nfs/dbraw/zinc/48/17/54/1184481754.db2.gz UQURJGPTPNXEIS-XHDPSFHLSA-N 1 3 334.291 2.132 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCc2ccccc2F)C1 ZINC001270263179 1184968130 /nfs/dbraw/zinc/96/81/30/1184968130.db2.gz FTBFGWWYLVXYRX-FUHWJXTLSA-N 1 3 347.478 2.291 10 0 EEAEHO CC(C)C[C@H](CNCC=C(Cl)Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482399336 1185616622 /nfs/dbraw/zinc/61/66/22/1185616622.db2.gz YIHTVLXCTNSYDA-CHWSQXEVSA-N 1 3 336.307 2.378 10 0 EEAEHO CC(C)C[C@H](CNCC=C(Cl)Cl)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482399336 1185616628 /nfs/dbraw/zinc/61/66/28/1185616628.db2.gz YIHTVLXCTNSYDA-CHWSQXEVSA-N 1 3 336.307 2.378 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCCF)C2CCCCC2)CC[N@@H+]1C ZINC001271335135 1186146080 /nfs/dbraw/zinc/14/60/80/1186146080.db2.gz QNNGIQJVCSGLOG-GVDBMIGSSA-N 1 3 327.488 2.341 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCCF)C2CCCCC2)CC[N@H+]1C ZINC001271335135 1186146082 /nfs/dbraw/zinc/14/60/82/1186146082.db2.gz QNNGIQJVCSGLOG-GVDBMIGSSA-N 1 3 327.488 2.341 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CCC1CCOCC1 ZINC001482832076 1187752510 /nfs/dbraw/zinc/75/25/10/1187752510.db2.gz UCERKFIJTDSICB-SJLPKXTDSA-N 1 3 339.524 2.160 10 0 EEAEHO CN(C)C1(C(=O)NC/C=C/C[NH2+]C[C@@H]2CCC(F)(F)C2)CCC1 ZINC001483019094 1188006577 /nfs/dbraw/zinc/00/65/77/1188006577.db2.gz VCYXQVLFJVPCEY-RDFMZFSFSA-N 1 3 329.435 2.168 10 0 EEAEHO Cc1ccncc1C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001483448888 1190483626 /nfs/dbraw/zinc/48/36/26/1190483626.db2.gz YIVFJFPHKRSBQW-IEBWSBKVSA-N 1 3 346.519 2.495 10 0 EEAEHO CN(CCC[NH2+]CC[C@@H]1CCCC1(F)F)C(=O)[C@H]1CCCN1C ZINC001483456441 1190485003 /nfs/dbraw/zinc/48/50/03/1190485003.db2.gz WINZBZWBZNANNW-LSDHHAIUSA-N 1 3 331.451 2.344 10 0 EEAEHO Cc1nc(C)c(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C(C)C)C2)s1 ZINC001486133657 1193690626 /nfs/dbraw/zinc/69/06/26/1193690626.db2.gz FNQQMKXQXHWIPL-WFASDCNBSA-N 1 3 338.521 2.179 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001272563481 1190879126 /nfs/dbraw/zinc/87/91/26/1190879126.db2.gz CFKYAHAUKZHJTH-YJBOKZPZSA-N 1 3 335.467 2.494 10 0 EEAEHO CC(C)[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC2CC(F)(F)C2)C1)N(C)C ZINC001272623793 1190936087 /nfs/dbraw/zinc/93/60/87/1190936087.db2.gz DDKWUPYZFHQTTF-HOCLYGCPSA-N 1 3 345.478 2.446 10 0 EEAEHO CC[C@H](F)CN1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001483845054 1191080431 /nfs/dbraw/zinc/08/04/31/1191080431.db2.gz FTFINJYCZZOARI-RDJZCZTQSA-N 1 3 325.472 2.001 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCc1ccc(C)cc1)N(C)C ZINC001483944808 1191126677 /nfs/dbraw/zinc/12/66/77/1191126677.db2.gz GMZLTPDSDXUDOS-OALUTQOASA-N 1 3 331.504 2.458 10 0 EEAEHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCCCC(F)(F)F ZINC001484377911 1191321344 /nfs/dbraw/zinc/32/13/44/1191321344.db2.gz KPQUJSOHDRNNOW-STQMWFEESA-N 1 3 346.397 2.369 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@H](CC[NH2+]CCc3cccs3)C2)C1 ZINC001484538254 1191404272 /nfs/dbraw/zinc/40/42/72/1191404272.db2.gz WBYCNSJGZNNISE-SJORKVTESA-N 1 3 349.544 2.461 10 0 EEAEHO CC[C@@H](C(=O)N1CC2(C1)CC[NH+](CCCOC(C)C)CC2)N(C)C ZINC001484581500 1191426054 /nfs/dbraw/zinc/42/60/54/1191426054.db2.gz KYVUMTUJPRQYTA-KRWDZBQOSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1ncc(CN[C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)cn1 ZINC001485147776 1191665524 /nfs/dbraw/zinc/66/55/24/1191665524.db2.gz QOTVCYKEGPGSLO-HUUCEWRRSA-N 1 3 347.507 2.032 10 0 EEAEHO CCOCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCCN2CC)CC1 ZINC001485243530 1191707092 /nfs/dbraw/zinc/70/70/92/1191707092.db2.gz WIZHJTSTIWOOLJ-DAWZGUTISA-N 1 3 339.524 2.257 10 0 EEAEHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)Cc1ccc(C2CC2)cc1 ZINC001485384793 1191769198 /nfs/dbraw/zinc/76/91/98/1191769198.db2.gz ZCXICIYXVPMBNM-HNAYVOBHSA-N 1 3 329.488 2.452 10 0 EEAEHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(C2CC2)cc1 ZINC001485384793 1191769200 /nfs/dbraw/zinc/76/92/00/1191769200.db2.gz ZCXICIYXVPMBNM-HNAYVOBHSA-N 1 3 329.488 2.452 10 0 EEAEHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)Cc1ccc(C2CC2)cc1 ZINC001485384794 1191769338 /nfs/dbraw/zinc/76/93/38/1191769338.db2.gz ZCXICIYXVPMBNM-KXBFYZLASA-N 1 3 329.488 2.452 10 0 EEAEHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(C2CC2)cc1 ZINC001485384794 1191769340 /nfs/dbraw/zinc/76/93/40/1191769340.db2.gz ZCXICIYXVPMBNM-KXBFYZLASA-N 1 3 329.488 2.452 10 0 EEAEHO C[C@H](NC(=O)CC[NH+](C)C)C1CN(Cc2ccccc2C2CC2)C1 ZINC001409950051 1194125656 /nfs/dbraw/zinc/12/56/56/1194125656.db2.gz SZDGYMXYGXLQQS-HNNXBMFYSA-N 1 3 329.488 2.452 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccnc1 ZINC001273053554 1194357757 /nfs/dbraw/zinc/35/77/57/1194357757.db2.gz ZAXKTICGBIVZRE-FUHWJXTLSA-N 1 3 332.492 2.329 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCc4ccccc43)C[C@H]21 ZINC001410114624 1197554595 /nfs/dbraw/zinc/55/45/95/1197554595.db2.gz HEMSJAJGFFHZTG-YSTOQKLRSA-N 1 3 341.499 2.310 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCc4ccccc43)C[C@H]21 ZINC001410114624 1197554599 /nfs/dbraw/zinc/55/45/99/1197554599.db2.gz HEMSJAJGFFHZTG-YSTOQKLRSA-N 1 3 341.499 2.310 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](CNCc2cc(C3CC3)no2)C1)[NH+](C)C ZINC001410221453 1197614005 /nfs/dbraw/zinc/61/40/05/1197614005.db2.gz SDPHQKTVSSKNMT-DDUZABMNSA-N 1 3 348.491 2.123 10 0 EEAEHO CN(C)Cc1cccc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000871674156 1197824677 /nfs/dbraw/zinc/82/46/77/1197824677.db2.gz SQZQULAFZCTEDE-JSGCOSHPSA-N 1 3 344.381 2.349 10 0 EEAEHO CC(=O)Nc1cccc(NC(=O)[C@H](C)N(C)CCCCCC[NH3+])c1 ZINC000872155129 1198061544 /nfs/dbraw/zinc/06/15/44/1198061544.db2.gz LRVNSMCWQIGZBT-AWEZNQCLSA-N 1 3 334.464 2.423 10 0 EEAEHO Cc1ccccc1CN1CCCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870865879 1200919587 /nfs/dbraw/zinc/91/95/87/1200919587.db2.gz MBAZDYOYYIOSFL-HBFSDRIKSA-N 1 3 327.472 2.157 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC000880663892 1201555114 /nfs/dbraw/zinc/55/51/14/1201555114.db2.gz HYUXBSQIIYPTRM-XKGZKEIXSA-N 1 3 331.504 2.352 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC000880663892 1201555116 /nfs/dbraw/zinc/55/51/16/1201555116.db2.gz HYUXBSQIIYPTRM-XKGZKEIXSA-N 1 3 331.504 2.352 10 0 EEAEHO C[C@H](NC/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1cccc(F)c1 ZINC001274368590 1205011890 /nfs/dbraw/zinc/01/18/90/1205011890.db2.gz MXALEWXFNZCMNI-JNXQLMTMSA-N 1 3 333.451 2.491 10 0 EEAEHO C[C@H](NC/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1cccc(F)c1 ZINC001274368590 1205011894 /nfs/dbraw/zinc/01/18/94/1205011894.db2.gz MXALEWXFNZCMNI-JNXQLMTMSA-N 1 3 333.451 2.491 10 0 EEAEHO C[C@H]([NH2+]C/C=C\CNC(=O)CN1CC[C@@H](C)C1)c1cccc(F)c1 ZINC001274368590 1205011897 /nfs/dbraw/zinc/01/18/97/1205011897.db2.gz MXALEWXFNZCMNI-JNXQLMTMSA-N 1 3 333.451 2.491 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC/C=C/C[NH2+]CC[C@H]1CCCC1(F)F ZINC001274534363 1205069654 /nfs/dbraw/zinc/06/96/54/1205069654.db2.gz LNUAIFJZLHOITP-BAABZTOOSA-N 1 3 340.418 2.348 10 0 EEAEHO C[C@H](C[NH2+]CCOc1ccccc1)NC(=O)C(C)(C)N1CCCCC1 ZINC001274753338 1205153629 /nfs/dbraw/zinc/15/36/29/1205153629.db2.gz PXDDUKOUGYJCNU-QGZVFWFLSA-N 1 3 347.503 2.424 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)N1CCCC[C@H]1C[NH2+]C/C=C/Cl ZINC001275003955 1205232076 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10 0 EEAEHO C[N@H+]1CC[C@@H]2CN(C[C@H](O)c3ccc(Br)cc3)C[C@@H]2C1 ZINC000931433424 1207379293 /nfs/dbraw/zinc/37/92/93/1207379293.db2.gz BLVCIBCGFRZXIV-YCPHGPKFSA-N 1 3 339.277 2.366 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001490842511 1208465497 /nfs/dbraw/zinc/46/54/97/1208465497.db2.gz SULCIYGJHLJVTD-DQLVLJLFSA-N 1 3 331.863 2.142 10 0 EEAEHO c1ccc2c(c1)[C@H](C[C@H]1COCCN1)CN2C[C@@H]1CCCC[NH2+]C1 ZINC000903788277 1241966949 /nfs/dbraw/zinc/96/69/49/1241966949.db2.gz HLVGYOHLVJTSCT-KURKYZTESA-N 1 3 329.488 2.358 10 0 EEAEHO Cc1csc(C[NH2+]C[C@H]2CCCN(C(=O)CN(C)C(C)C)C2)n1 ZINC001491189187 1258754884 /nfs/dbraw/zinc/75/48/84/1258754884.db2.gz ABAQORKIYKGZQD-OAHLLOKOSA-N 1 3 338.521 2.120 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)ncc1Cl ZINC000855346575 1293183663 /nfs/dbraw/zinc/18/36/63/1293183663.db2.gz FZRQVELOXGQRSA-NSHDSACASA-N 1 3 347.290 2.390 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)ncc1Cl ZINC000855346575 1293183667 /nfs/dbraw/zinc/18/36/67/1293183667.db2.gz FZRQVELOXGQRSA-NSHDSACASA-N 1 3 347.290 2.390 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)cc2)CC1 ZINC000859622961 1294554961 /nfs/dbraw/zinc/55/49/61/1294554961.db2.gz QDVDVTHNYMUZCY-DOTOQJQBSA-N 1 3 345.491 2.091 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H]3CCC(F)(F)C3)CC2)CC1 ZINC000797846688 1304859205 /nfs/dbraw/zinc/85/92/05/1304859205.db2.gz KZONUUVAXFNVLY-CQSZACIVSA-N 1 3 343.462 2.487 10 0 EEAEHO CC(C)OCC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C(C)(C)C ZINC001278991039 1318944123 /nfs/dbraw/zinc/94/41/23/1318944123.db2.gz XLHPRYPDBCENMI-INIZCTEOSA-N 1 3 341.540 2.406 10 0 EEAEHO CC(C)[C@@H](C(=O)NCC1=CC[N@H+](CC2CC(F)(F)C2)CC1)N(C)C ZINC001279582485 1323946677 /nfs/dbraw/zinc/94/66/77/1323946677.db2.gz PVUVKHOOSCFAAE-INIZCTEOSA-N 1 3 343.462 2.366 10 0 EEAEHO CC(C)[C@@H](C(=O)NCC1=CC[N@@H+](CC2CC(F)(F)C2)CC1)N(C)C ZINC001279582485 1323946679 /nfs/dbraw/zinc/94/66/79/1323946679.db2.gz PVUVKHOOSCFAAE-INIZCTEOSA-N 1 3 343.462 2.366 10 0 EEAEHO Cc1ccncc1CN[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001491685853 1330205671 /nfs/dbraw/zinc/20/56/71/1330205671.db2.gz ZHIIGSWQAIUMID-MJGOQNOKSA-N 1 3 346.519 2.495 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C(C)C)n2)C1 ZINC001491849968 1330273754 /nfs/dbraw/zinc/27/37/54/1330273754.db2.gz PYNPLPUEXONLKK-KRWDZBQOSA-N 1 3 346.519 2.485 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@H+](C)CC1CCOCC1 ZINC001316853412 1331469189 /nfs/dbraw/zinc/46/91/89/1331469189.db2.gz FFWXYQZLEACPFF-SFHVURJKSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CC1CCOCC1 ZINC001316853412 1331469190 /nfs/dbraw/zinc/46/91/90/1331469190.db2.gz FFWXYQZLEACPFF-SFHVURJKSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1nc(C)c(CNCC[C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)o1 ZINC001320451588 1332887024 /nfs/dbraw/zinc/88/70/24/1332887024.db2.gz YDGXFJLHZNOYHR-CZUORRHYSA-N 1 3 336.480 2.150 10 0 EEAEHO Cc1nc(C)c(CNCC[C@@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)o1 ZINC001320451588 1332887029 /nfs/dbraw/zinc/88/70/29/1332887029.db2.gz YDGXFJLHZNOYHR-CZUORRHYSA-N 1 3 336.480 2.150 10 0 EEAEHO Cc1nc(C[NH2+]CC[C@H](C)NC(=O)CN2CC[C@H](C)C2)sc1C ZINC001320549241 1332907657 /nfs/dbraw/zinc/90/76/57/1332907657.db2.gz PMBKNPIYTIEYMV-STQMWFEESA-N 1 3 338.521 2.086 10 0 EEAEHO CCN(CCNCc1cccnc1C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001320928106 1332980804 /nfs/dbraw/zinc/98/08/04/1332980804.db2.gz GFFPQNSUQCGHDT-HZPDHXFCSA-N 1 3 332.492 2.201 10 0 EEAEHO CCc1ccccc1CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCN1C ZINC001320999259 1332994568 /nfs/dbraw/zinc/99/45/68/1332994568.db2.gz UCGABWMARYYHPR-GHOSXJJBSA-N 1 3 329.488 2.148 10 0 EEAEHO Cc1cnc([C@H](C)NCCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)cn1 ZINC001322640649 1333299617 /nfs/dbraw/zinc/29/96/17/1333299617.db2.gz KMWGVHUXORCBGO-INIZCTEOSA-N 1 3 347.507 2.159 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCF)C1 ZINC001324796908 1333761709 /nfs/dbraw/zinc/76/17/09/1333761709.db2.gz DQTIXZCQWYZKTD-WMZOPIPTSA-N 1 3 327.488 2.437 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCc2ccccc2)C1 ZINC001326335763 1334070953 /nfs/dbraw/zinc/07/09/53/1334070953.db2.gz WZIJJMBHQGJCME-RBUKOAKNSA-N 1 3 329.488 2.152 10 0 EEAEHO CC(C)N(C)CC(=O)NC1(C[NH2+]CCC2CCCC2)CCOCC1 ZINC001327671888 1334331629 /nfs/dbraw/zinc/33/16/29/1334331629.db2.gz YBRUJRWLZVARGC-UHFFFAOYSA-N 1 3 339.524 2.162 10 0 EEAEHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001329173949 1334600906 /nfs/dbraw/zinc/60/09/06/1334600906.db2.gz SZIAQYNKXSKGRO-CHWSQXEVSA-N 1 3 326.872 2.060 10 0 EEAEHO CCCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H](CC)N(C)C)CC2 ZINC001330549579 1334868958 /nfs/dbraw/zinc/86/89/58/1334868958.db2.gz DUIFSFAQDPADLE-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CCc3ccccc3F)C2)C1 ZINC001330657244 1334883622 /nfs/dbraw/zinc/88/36/22/1334883622.db2.gz XCGKQLKWCZBMLZ-JFIYKMOQSA-N 1 3 347.478 2.194 10 0 EEAEHO C[NH+]1CCC(CC(=O)NCCCN(Cc2ccccn2)C2CC2)CC1 ZINC001479876410 1337492786 /nfs/dbraw/zinc/49/27/86/1337492786.db2.gz CEIBFOSHMQQJSU-UHFFFAOYSA-N 1 3 344.503 2.284 10 0 EEAEHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001433587306 1341633544 /nfs/dbraw/zinc/63/35/44/1341633544.db2.gz AVNAMDSTXIKTMS-IPMKNSEASA-N 1 3 329.488 2.498 10 0 EEAEHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CCOC2CCCCCC2)C1 ZINC001571662784 1343265878 /nfs/dbraw/zinc/26/58/78/1343265878.db2.gz RIWSUMFEBXFMKI-UHFFFAOYSA-N 1 3 348.491 2.271 10 0 EEAEHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2CCC)CCO1 ZINC001649457791 1353515888 /nfs/dbraw/zinc/51/58/88/1353515888.db2.gz MMLHSYQTEJZWRE-VGRIIWOTSA-N 1 3 337.508 2.034 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CCOCC1 ZINC001649470317 1353523524 /nfs/dbraw/zinc/52/35/24/1353523524.db2.gz ISOMUCHZDYPLGL-FUHWJXTLSA-N 1 3 339.524 2.162 10 0 EEAEHO C[C@H]1C[C@@H](NCc2nccs2)CCN1C(=O)CCCC[NH+](C)C ZINC001671251030 1353941808 /nfs/dbraw/zinc/94/18/08/1353941808.db2.gz IDHJJGOXWNCHBX-GJZGRUSLSA-N 1 3 338.521 2.344 10 0 EEAEHO COCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001656098443 1354201002 /nfs/dbraw/zinc/20/10/02/1354201002.db2.gz UXKRDCINXIEUIQ-ZWKOTPCHSA-N 1 3 339.524 2.210 10 0 EEAEHO CC(C)OCCCN1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001661031262 1354576422 /nfs/dbraw/zinc/57/64/22/1354576422.db2.gz LEPVBPIGSCBTOW-GOSISDBHSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCC[C@@H]1CCOC1 ZINC001661972757 1354731354 /nfs/dbraw/zinc/73/13/54/1354731354.db2.gz YNCJWNCJINUZBZ-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ncc(C[N@H+]2CCC[C@@H]2CCCNC(=O)CN(C)C2CCC2)o1 ZINC001663071455 1354907390 /nfs/dbraw/zinc/90/73/90/1354907390.db2.gz DAXILBAQVCTKFO-KRWDZBQOSA-N 1 3 348.491 2.328 10 0 EEAEHO Cc1ncc(C[N@@H+]2CCC[C@@H]2CCCNC(=O)CN(C)C2CCC2)o1 ZINC001663071455 1354907393 /nfs/dbraw/zinc/90/73/93/1354907393.db2.gz DAXILBAQVCTKFO-KRWDZBQOSA-N 1 3 348.491 2.328 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[C@H]1CCC[N@@H+]1C[C@@H]1CCCOC1 ZINC001663119996 1354921253 /nfs/dbraw/zinc/92/12/53/1354921253.db2.gz PHTBINKIYRGBQL-IRXDYDNUSA-N 1 3 348.491 2.048 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[C@H]1CCC[N@H+]1C[C@@H]1CCCOC1 ZINC001663119996 1354921257 /nfs/dbraw/zinc/92/12/57/1354921257.db2.gz PHTBINKIYRGBQL-IRXDYDNUSA-N 1 3 348.491 2.048 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccccn2)C1)N(C)C ZINC001666147272 1355467600 /nfs/dbraw/zinc/46/76/00/1355467600.db2.gz XKYOVFYDHVIFFQ-WMZOPIPTSA-N 1 3 332.492 2.140 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001666486738 1355531377 /nfs/dbraw/zinc/53/13/77/1355531377.db2.gz XKTYCNOGFWMBCY-QGZVFWFLSA-N 1 3 335.467 2.289 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001668086774 1355866108 /nfs/dbraw/zinc/86/61/08/1355866108.db2.gz JEFCHLFSFZKWKX-ZDUSSCGKSA-N 1 3 339.430 2.434 10 0 EEAEHO CN(CC(=O)NC/C=C\C[NH2+][C@H]1CCc2ccccc21)C1CCC1 ZINC001668865536 1356028926 /nfs/dbraw/zinc/02/89/26/1356028926.db2.gz ZMUDOHYUQVIZDC-HMECNJMJSA-N 1 3 327.472 2.420 10 0 EEAEHO 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ZINC001438967653 1091660433 /nfs/dbraw/zinc/66/04/33/1091660433.db2.gz SHGVTWHRATZRER-GDBMZVCRSA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1ncc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CN(C)C(C)C)s1 ZINC001438967678 1091660451 /nfs/dbraw/zinc/66/04/51/1091660451.db2.gz SHGVTWHRATZRER-ZBFHGGJFSA-N 1 3 338.521 2.166 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1cncc(C)c1)C1CC1 ZINC001445945945 1091884190 /nfs/dbraw/zinc/88/41/90/1091884190.db2.gz BPPDXRQVNHVKTJ-OALUTQOASA-N 1 3 344.503 2.249 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CNCc1cncs1)C1CC1 ZINC001445958056 1091904894 /nfs/dbraw/zinc/90/48/94/1091904894.db2.gz XQJKIHPEIBYRHD-HOTGVXAUSA-N 1 3 336.505 2.000 10 0 EEAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](CNCc1cncs1)C1CC1 ZINC001445958056 1091904896 /nfs/dbraw/zinc/90/48/96/1091904896.db2.gz XQJKIHPEIBYRHD-HOTGVXAUSA-N 1 3 336.505 2.000 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1cncs1)C1CC1 ZINC001445958056 1091904901 /nfs/dbraw/zinc/90/49/01/1091904901.db2.gz 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CC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCCN([C@@H](C)c2ccccc2)C1 ZINC001440176482 1093233645 /nfs/dbraw/zinc/23/36/45/1093233645.db2.gz ANJQIZUBUQIQCS-PXNSSMCTSA-N 1 3 347.503 2.033 10 0 EEAEHO Cc1cccnc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001448526086 1093558134 /nfs/dbraw/zinc/55/81/34/1093558134.db2.gz WCPKPPACCDTESG-QAQDUYKDSA-N 1 3 346.519 2.352 10 0 EEAEHO Cc1nc(C)c(CN[C@@H]2CC[C@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001440410487 1093604072 /nfs/dbraw/zinc/60/40/72/1093604072.db2.gz LJDBWQQIKMKJLF-GVDBMIGSSA-N 1 3 348.491 2.008 10 0 EEAEHO Cc1nc(C)c(CN[C@@H]2CC[C@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001440410487 1093604075 /nfs/dbraw/zinc/60/40/75/1093604075.db2.gz LJDBWQQIKMKJLF-GVDBMIGSSA-N 1 3 348.491 2.008 10 0 EEAEHO C[C@@H](F)CCN1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)C ZINC001440538801 1093804122 /nfs/dbraw/zinc/80/41/22/1093804122.db2.gz OQXSUIOZDCLFLT-QAPCUYQASA-N 1 3 335.467 2.229 10 0 EEAEHO CC(C)[C@H](C(=O)NC1CC(C[NH2+]CC2CC(F)(F)C2)C1)N(C)C ZINC001440762661 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333.476 2.081 10 0 EEAEHO COc1cccc([C@@H](C)[NH2+][C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001441844048 1095922802 /nfs/dbraw/zinc/92/28/02/1095922802.db2.gz QFYPQELOIDMUMJ-HUUCEWRRSA-N 1 3 333.476 2.335 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCC(F)(F)F)C1 ZINC001442261184 1096564679 /nfs/dbraw/zinc/56/46/79/1096564679.db2.gz RWTZFVAGOPDEKA-RUXDESIVSA-N 1 3 335.414 2.392 10 0 EEAEHO CN(CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccc2c(c1)COC2 ZINC001442576030 1096940330 /nfs/dbraw/zinc/94/03/30/1096940330.db2.gz UQFCPVGWMMYOKQ-UHFFFAOYSA-N 1 3 345.487 2.139 10 0 EEAEHO CCCN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1ccc(F)cc1 ZINC001442955401 1097374069 /nfs/dbraw/zinc/37/40/69/1097374069.db2.gz ZASMSDNRUJQEHV-KRWDZBQOSA-N 1 3 335.467 2.496 10 0 EEAEHO CCCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1ccc(F)cc1 ZINC001442955401 1097374073 /nfs/dbraw/zinc/37/40/73/1097374073.db2.gz ZASMSDNRUJQEHV-KRWDZBQOSA-N 1 3 335.467 2.496 10 0 EEAEHO CN(CC[NH2+][C@@H]1CCc2c1cc(F)cc2F)C(=O)[C@H]1CCCN1C ZINC001443090670 1097505231 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Cc1cccnc1CN(CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001479876073 1099235153 /nfs/dbraw/zinc/23/51/53/1099235153.db2.gz NAQWVTJYIIJRCZ-INIZCTEOSA-N 1 3 344.503 2.203 10 0 EEAEHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1N(C)C)N(C)C ZINC001444616773 1099441647 /nfs/dbraw/zinc/44/16/47/1099441647.db2.gz FSYFDYAVXGHESZ-NVXWUHKLSA-N 1 3 334.508 2.029 10 0 EEAEHO CC(C)c1cccc(CNC[C@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)n1 ZINC001444713762 1099576027 /nfs/dbraw/zinc/57/60/27/1099576027.db2.gz RYSSTTQHCABIQO-INIZCTEOSA-N 1 3 344.503 2.237 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)C1)N(C)C ZINC001480158690 1099730550 /nfs/dbraw/zinc/73/05/50/1099730550.db2.gz XQVAICQIETUFHP-BZSNNMDCSA-N 1 3 335.467 2.335 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001480236548 1099866109 /nfs/dbraw/zinc/86/61/09/1099866109.db2.gz UGNVIALRBHPUAW-CALCHBBNSA-N 1 3 326.444 2.130 10 0 EEAEHO C[C@@H](CNC(=O)CCC[NH+](C)C)N[C@@H]1CCc2c1cc(F)cc2F ZINC001480528118 1100359430 /nfs/dbraw/zinc/35/94/30/1100359430.db2.gz URRZCPWMZOSOBD-YVEFUNNKSA-N 1 3 339.430 2.388 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2)[C@H](C)C1 ZINC001496376207 1100969028 /nfs/dbraw/zinc/96/90/28/1100969028.db2.gz PLYOJVGAVDYMRN-IEBWSBKVSA-N 1 3 331.504 2.396 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCC(F)(F)F ZINC001496486614 1101077817 /nfs/dbraw/zinc/07/78/17/1101077817.db2.gz JICFHVDWRNRBQA-UONOGXRCSA-N 1 3 337.430 2.497 10 0 EEAEHO CO[C@H](C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1)C1CCC1 ZINC001447309247 1102423650 /nfs/dbraw/zinc/42/36/50/1102423650.db2.gz ZZPONWLCZDKITC-QZTJIDSGSA-N 1 3 339.524 2.112 10 0 EEAEHO CO[C@H](C[N@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1)C1CCC1 ZINC001447309247 1102423655 /nfs/dbraw/zinc/42/36/55/1102423655.db2.gz ZZPONWLCZDKITC-QZTJIDSGSA-N 1 3 339.524 2.112 10 0 EEAEHO COC[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001447352866 1102507526 /nfs/dbraw/zinc/50/75/26/1102507526.db2.gz BQAHAZCJXVSEDA-CRAIPNDOSA-N 1 3 345.503 2.014 10 0 EEAEHO COC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001447352866 1102507531 /nfs/dbraw/zinc/50/75/31/1102507531.db2.gz BQAHAZCJXVSEDA-CRAIPNDOSA-N 1 3 345.503 2.014 10 0 EEAEHO C[N@H+](CCCCCF)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001494214313 1103709359 /nfs/dbraw/zinc/70/93/59/1103709359.db2.gz UJPLRSQPSDSFMY-UHFFFAOYSA-N 1 3 327.488 2.392 10 0 EEAEHO C[N@@H+](CCCCCF)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001494214313 1103709360 /nfs/dbraw/zinc/70/93/60/1103709360.db2.gz UJPLRSQPSDSFMY-UHFFFAOYSA-N 1 3 327.488 2.392 10 0 EEAEHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)Cc1ccc(CF)cc1 ZINC001448128678 1104069071 /nfs/dbraw/zinc/06/90/71/1104069071.db2.gz CHXBQGKBABYXQD-MAUKXSAKSA-N 1 3 335.467 2.434 10 0 EEAEHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(CF)cc1 ZINC001448128678 1104069079 /nfs/dbraw/zinc/06/90/79/1104069079.db2.gz CHXBQGKBABYXQD-MAUKXSAKSA-N 1 3 335.467 2.434 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001480637397 1106804450 /nfs/dbraw/zinc/80/44/50/1106804450.db2.gz QKYDVLQZGNDDAR-OELZETHLSA-N 1 3 327.472 2.232 10 0 EEAEHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]CCc3cccs3)C2)CCC1 ZINC001480649792 1106819921 /nfs/dbraw/zinc/81/99/21/1106819921.db2.gz YYBYTRQPDFAPID-HNNXBMFYSA-N 1 3 335.517 2.213 10 0 EEAEHO CCc1nocc1CNCCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001498552641 1107709634 /nfs/dbraw/zinc/70/96/34/1107709634.db2.gz TXKHRRQWGZOAGE-KRWDZBQOSA-N 1 3 336.480 2.048 10 0 EEAEHO CCc1nocc1CNCCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001498552641 1107709645 /nfs/dbraw/zinc/70/96/45/1107709645.db2.gz TXKHRRQWGZOAGE-KRWDZBQOSA-N 1 3 336.480 2.048 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCc2ncccc2C)C2CC2)CC[N@@H+]1C ZINC001498757399 1108036976 /nfs/dbraw/zinc/03/69/76/1108036976.db2.gz ASCHDDWIVLWHEV-YTQUADARSA-N 1 3 344.503 2.105 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCc2ncccc2C)C2CC2)CC[N@H+]1C ZINC001498757399 1108036992 /nfs/dbraw/zinc/03/69/92/1108036992.db2.gz ASCHDDWIVLWHEV-YTQUADARSA-N 1 3 344.503 2.105 10 0 EEAEHO CC(C)Oc1cccc(C[NH2+]CCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001493694050 1108520637 /nfs/dbraw/zinc/52/06/37/1108520637.db2.gz AWSBFNCDNKUXJQ-KRWDZBQOSA-N 1 3 347.503 2.364 10 0 EEAEHO CC[C@@H](F)CN1CC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001499615612 1112413137 /nfs/dbraw/zinc/41/31/37/1112413137.db2.gz FLTNTZGYSPUTIC-AEFFLSMTSA-N 1 3 327.488 2.391 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCOc2ccccc2)C1 ZINC001501152828 1113217169 /nfs/dbraw/zinc/21/71/69/1113217169.db2.gz FHNZIADONCIYHF-ROUUACIJSA-N 1 3 347.503 2.090 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001501544538 1113376893 /nfs/dbraw/zinc/37/68/93/1113376893.db2.gz NBQLIIXHKLFTKD-YJBOKZPZSA-N 1 3 333.451 2.248 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(NCc2cncc(F)c2)CCC1 ZINC001501959986 1113537341 /nfs/dbraw/zinc/53/73/41/1113537341.db2.gz FEJHXTCUPWVUBJ-KRWDZBQOSA-N 1 3 348.466 2.224 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(NCc2cncc(F)c2)CCC1 ZINC001501959986 1113537344 /nfs/dbraw/zinc/53/73/44/1113537344.db2.gz FEJHXTCUPWVUBJ-KRWDZBQOSA-N 1 3 348.466 2.224 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]C[C@H]2CCO[C@H](C)C2)CC1 ZINC001502811423 1113808527 /nfs/dbraw/zinc/80/85/27/1113808527.db2.gz UACZDZZGAQRPGB-SJORKVTESA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001503463641 1113887991 /nfs/dbraw/zinc/88/79/91/1113887991.db2.gz XHHMKNSOHFPQAR-RRFJBIMHSA-N 1 3 333.467 2.492 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CCCC2CCC2)C1 ZINC001506860540 1114926354 /nfs/dbraw/zinc/92/63/54/1114926354.db2.gz XVWKDOVQXAKRGD-SJLPKXTDSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)[C@H]2C1 ZINC001507369639 1115228776 /nfs/dbraw/zinc/22/87/76/1115228776.db2.gz VDEURECXTMPJLP-TWDVFJJTSA-N 1 3 327.900 2.296 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](Cc2cncc(C)c2)CC1)N(C)C ZINC001508082966 1115415202 /nfs/dbraw/zinc/41/52/02/1115415202.db2.gz ZBJCYDLZUKGQMX-LPHOPBHVSA-N 1 3 346.519 2.447 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]Cc2cccc(Cl)n2)C1 ZINC001508154283 1115428811 /nfs/dbraw/zinc/42/88/11/1115428811.db2.gz GMNRRTHJDKZHFF-UHFFFAOYSA-N 1 3 338.883 2.154 10 0 EEAEHO Cc1nocc1CNCC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001568056634 1124261913 /nfs/dbraw/zinc/26/19/13/1124261913.db2.gz HVNNELLKACKOLM-JFIYKMOQSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1nocc1CNCC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001568056634 1124261919 /nfs/dbraw/zinc/26/19/19/1124261919.db2.gz HVNNELLKACKOLM-JFIYKMOQSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1nocc1C[NH2+]CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001568094333 1124297866 /nfs/dbraw/zinc/29/78/66/1124297866.db2.gz YTOOAGVBWHBRHW-HNNXBMFYSA-N 1 3 348.491 2.043 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]CCc1ccc(Cl)cc1 ZINC001568206331 1124354485 /nfs/dbraw/zinc/35/44/85/1124354485.db2.gz UYKLEOJBSOAPCI-CYBMUJFWSA-N 1 3 348.878 2.499 10 0 EEAEHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCCc1ccccc1 ZINC001568366465 1124439725 /nfs/dbraw/zinc/43/97/25/1124439725.db2.gz XVNKODZCQRHJMS-APWZRJJASA-N 1 3 340.471 2.412 10 0 EEAEHO C[C@@H](NCCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)c1cnccn1 ZINC001569246754 1125192390 /nfs/dbraw/zinc/19/23/90/1125192390.db2.gz OITYYCWWNQOVRU-SJORKVTESA-N 1 3 347.507 2.240 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H](C[NH2+]C/C=C/Cl)C2CC2)C1 ZINC001569320183 1125227550 /nfs/dbraw/zinc/22/75/50/1125227550.db2.gz NEBKOOYVIJVYEE-TYBAJPJBSA-N 1 3 345.890 2.436 10 0 EEAEHO C[NH+]1CCC(C)(CNC(=O)CCN2CCc3ccccc3C2)CC1 ZINC000416194795 530048302 /nfs/dbraw/zinc/04/83/02/530048302.db2.gz IKOKAVFZROEQAD-UHFFFAOYSA-N 1 3 329.488 2.283 10 0 EEAEHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000340094455 539823272 /nfs/dbraw/zinc/82/32/72/539823272.db2.gz LEDYLNSZUNMZQG-RYQLBKOJSA-N 1 3 332.492 2.461 10 0 EEAEHO CN1CCCN([C@@H](C[NH3+])c2cc(Br)ccc2F)CC1 ZINC000020217683 212112439 /nfs/dbraw/zinc/11/24/39/212112439.db2.gz FJXOSYZHKPVYHU-AWEZNQCLSA-N 1 3 330.245 2.226 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)NCc2cccc(C[NH+](C)C)c2)CCN1C ZINC000173946630 533585584 /nfs/dbraw/zinc/58/55/84/533585584.db2.gz BUVWIGCAHCUHHW-QAPCUYQASA-N 1 3 332.492 2.372 10 0 EEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)C[C@H](O)c2c(F)cccc2F)CC1 ZINC000171589039 533664748 /nfs/dbraw/zinc/66/47/48/533664748.db2.gz YJWFPSRIPGGQJD-DYVFJYSZSA-N 1 3 342.430 2.023 10 0 EEAEHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000247990838 160336201 /nfs/dbraw/zinc/33/62/01/160336201.db2.gz JBYZLCRQTFMBMA-YTQUADARSA-N 1 3 344.503 2.415 10 0 EEAEHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000247990838 160336202 /nfs/dbraw/zinc/33/62/02/160336202.db2.gz JBYZLCRQTFMBMA-YTQUADARSA-N 1 3 344.503 2.415 10 0 EEAEHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170826998 279136929 /nfs/dbraw/zinc/13/69/29/279136929.db2.gz OZZZUVKINUOXRO-SFHVURJKSA-N 1 3 332.492 2.374 10 0 EEAEHO CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)CC1 ZINC000183094694 279256660 /nfs/dbraw/zinc/25/66/60/279256660.db2.gz WMMFKOUYVGREBH-MSOLQXFVSA-N 1 3 336.524 2.234 10 0 EEAEHO CC1=C[C@H](C)C[C@H](C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414476947 313031569 /nfs/dbraw/zinc/03/15/69/313031569.db2.gz AQFDNSLAQGYALH-HKUYNNGSSA-N 1 3 335.536 2.365 10 0 EEAEHO O[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)[C@@H]1CCCO1 ZINC000527955556 317292309 /nfs/dbraw/zinc/29/23/09/317292309.db2.gz MNTNNFPYGAZWHE-ONUIULTDSA-N 1 3 344.499 2.417 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000557135368 318670754 /nfs/dbraw/zinc/67/07/54/318670754.db2.gz AFRLHKZJQZMXOW-KFWWJZLASA-N 1 3 336.505 2.182 10 0 EEAEHO CO[C@H]1C[C@@H](N(C)Cc2cncc(C[N@H+](C)[C@H]3C[C@@H](OC)C3)c2)C1 ZINC000576701231 320196691 /nfs/dbraw/zinc/19/66/91/320196691.db2.gz VPNZQGFZSWEOFC-FNCFJJJESA-N 1 3 333.476 2.300 10 0 EEAEHO CO[C@H]1C[C@@H](N(C)Cc2cncc(C[N@@H+](C)[C@H]3C[C@@H](OC)C3)c2)C1 ZINC000576701231 320196693 /nfs/dbraw/zinc/19/66/93/320196693.db2.gz VPNZQGFZSWEOFC-FNCFJJJESA-N 1 3 333.476 2.300 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000578246746 320303993 /nfs/dbraw/zinc/30/39/93/320303993.db2.gz ZUQUNFHGXYQTOQ-VQIMIIECSA-N 1 3 329.488 2.355 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000578246746 320303994 /nfs/dbraw/zinc/30/39/94/320303994.db2.gz ZUQUNFHGXYQTOQ-VQIMIIECSA-N 1 3 329.488 2.355 10 0 EEAEHO C[NH+](C)CCc1ccc(CNC[C@@H](O)COc2ccccc2)cc1 ZINC000580640848 324102707 /nfs/dbraw/zinc/10/27/07/324102707.db2.gz DUNICEAWEBSCDL-LJQANCHMSA-N 1 3 328.456 2.320 10 0 EEAEHO C[C@@H]1CCCCN1CCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000046372332 462674880 /nfs/dbraw/zinc/67/48/80/462674880.db2.gz DKCFAKFRZWDQHH-MRXNPFEDSA-N 1 3 332.492 2.422 10 0 EEAEHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCN2CCOC)cc1 ZINC000069505352 463262598 /nfs/dbraw/zinc/26/25/98/463262598.db2.gz QEJQTJOWAAAEAG-LJQANCHMSA-N 1 3 347.503 2.369 10 0 EEAEHO CC[NH+](CC)CCOc1ccccc1CNC(=O)CN1CC[C@H](C)C1 ZINC000553327852 468361128 /nfs/dbraw/zinc/36/11/28/468361128.db2.gz UHMRCSNFAACLFR-KRWDZBQOSA-N 1 3 347.503 2.365 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCSCC3)CC2)CC1 ZINC000553392366 468364966 /nfs/dbraw/zinc/36/49/66/468364966.db2.gz WUPVSLMVXNTTFD-UHFFFAOYSA-N 1 3 339.549 2.148 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)N2CCCC2)cc1 ZINC000170835378 463719155 /nfs/dbraw/zinc/71/91/55/463719155.db2.gz AZUORVSRQMFUAK-OALUTQOASA-N 1 3 344.503 2.477 10 0 EEAEHO C[C@H]1CN(CCN(C)Cc2ccc(F)cc2)CC[N@@H+]1CC(C)(C)O ZINC000189884311 464560177 /nfs/dbraw/zinc/56/01/77/464560177.db2.gz MBUJIJGMCCFZSR-INIZCTEOSA-N 1 3 337.483 2.035 10 0 EEAEHO C[C@H]1CN(CCN(C)Cc2ccc(F)cc2)CC[N@H+]1CC(C)(C)O ZINC000189884311 464560186 /nfs/dbraw/zinc/56/01/86/464560186.db2.gz MBUJIJGMCCFZSR-INIZCTEOSA-N 1 3 337.483 2.035 10 0 EEAEHO CCC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N(C)C ZINC000192231227 464890095 /nfs/dbraw/zinc/89/00/95/464890095.db2.gz RVBSRXJDOGOTKZ-RTBURBONSA-N 1 3 347.503 2.124 10 0 EEAEHO CCC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N(C)C ZINC000192231227 464890101 /nfs/dbraw/zinc/89/01/01/464890101.db2.gz RVBSRXJDOGOTKZ-RTBURBONSA-N 1 3 347.503 2.124 10 0 EEAEHO C[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1ccc(OCCN(C)C)cc1 ZINC000348224936 465498197 /nfs/dbraw/zinc/49/81/97/465498197.db2.gz ZRIZBUOALRVOFC-LPHOPBHVSA-N 1 3 343.471 2.449 10 0 EEAEHO CC(C)C[C@H]([NH2+]CC1Cc2ccccc2C1)C(=O)NCCN(C)C ZINC000579900495 468428835 /nfs/dbraw/zinc/42/88/35/468428835.db2.gz IBYVDWOBZPDUTB-IBGZPJMESA-N 1 3 331.504 2.084 10 0 EEAEHO O=C1[C@@H](NC2CCN(c3cc[nH+]cc3)CC2)CCN1c1ccccc1 ZINC000298488070 465409411 /nfs/dbraw/zinc/40/94/11/465409411.db2.gz PXSXENBADIGJDV-IBGZPJMESA-N 1 3 336.439 2.446 10 0 EEAEHO C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000352347615 465517645 /nfs/dbraw/zinc/51/76/45/465517645.db2.gz QIBOHNDJGHDNMN-WMZOPIPTSA-N 1 3 332.492 2.290 10 0 EEAEHO CN(C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340302736 465971329 /nfs/dbraw/zinc/97/13/29/465971329.db2.gz KCWAKJDYHCPKMJ-GBESFXJTSA-N 1 3 342.487 2.310 10 0 EEAEHO CN(C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000340302736 465971333 /nfs/dbraw/zinc/97/13/33/465971333.db2.gz KCWAKJDYHCPKMJ-GBESFXJTSA-N 1 3 342.487 2.310 10 0 EEAEHO C[C@H](Cc1ccc(Br)cc1F)NC[C@@H](O)C[NH+](C)C ZINC000305163458 466364437 /nfs/dbraw/zinc/36/44/37/466364437.db2.gz XRPKVOJKSBHWRI-ZWNOBZJWSA-N 1 3 333.245 2.031 10 0 EEAEHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCN(c2ccncc2)CC1 ZINC000594132629 468493501 /nfs/dbraw/zinc/49/35/01/468493501.db2.gz BGWDZULXZIWOGC-IAGOWNOFSA-N 1 3 345.491 2.176 10 0 EEAEHO CCOC(=O)C1([C@@H](C)N[C@@H](COC)c2ccccc2)CC[NH2+]CC1 ZINC000422957965 466688241 /nfs/dbraw/zinc/68/82/41/466688241.db2.gz WIAODMXUWVUQNY-WBVHZDCISA-N 1 3 334.460 2.285 10 0 EEAEHO C[C@H](CNC(=O)N(CC[NH3+])CCc1ccccc1)N1CCC[C@H](C)C1 ZINC000417027401 466759145 /nfs/dbraw/zinc/75/91/45/466759145.db2.gz ZSHZMUNLLQDJHF-ZWKOTPCHSA-N 1 3 346.519 2.320 10 0 EEAEHO O=C1C[C@H](c2ccccc2)N(Cc2cccc3c2CC[NH2+]C3)CCN1 ZINC000662252210 472042571 /nfs/dbraw/zinc/04/25/71/472042571.db2.gz MGTQHDPGQWYWSB-HXUWFJFHSA-N 1 3 335.451 2.396 10 0 EEAEHO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCN2CCC1CC2 ZINC000370284382 466824175 /nfs/dbraw/zinc/82/41/75/466824175.db2.gz BZBVMXPCNKTTHO-IBGZPJMESA-N 1 3 342.487 2.313 10 0 EEAEHO C[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N(C)Cc1ccccc1 ZINC000417590439 466889222 /nfs/dbraw/zinc/88/92/22/466889222.db2.gz RFRQZTILDIBXGY-PXNSSMCTSA-N 1 3 344.503 2.292 10 0 EEAEHO C[NH+](C)CCc1ccc(CNC(=O)NC[C@@H](N)c2ccccc2)cc1 ZINC000418055750 467035142 /nfs/dbraw/zinc/03/51/42/467035142.db2.gz JFJVFPODGLUAFB-LJQANCHMSA-N 1 3 340.471 2.290 10 0 EEAEHO CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c1 ZINC000377128023 467036501 /nfs/dbraw/zinc/03/65/01/467036501.db2.gz NXKQOZKHHAGTJD-IPMKNSEASA-N 1 3 331.460 2.486 10 0 EEAEHO CC(=O)Nc1cccc(OCCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000377128023 467036505 /nfs/dbraw/zinc/03/65/05/467036505.db2.gz NXKQOZKHHAGTJD-IPMKNSEASA-N 1 3 331.460 2.486 10 0 EEAEHO CC(=O)Nc1cccc(OCCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000377128023 467036511 /nfs/dbraw/zinc/03/65/11/467036511.db2.gz NXKQOZKHHAGTJD-IPMKNSEASA-N 1 3 331.460 2.486 10 0 EEAEHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407352473 467483691 /nfs/dbraw/zinc/48/36/91/467483691.db2.gz CFDPLJDFCPSAPD-FHWLQOOXSA-N 1 3 327.472 2.298 10 0 EEAEHO Cc1ccc(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)c(OCCN(C)C)c1 ZINC000415197302 467516529 /nfs/dbraw/zinc/51/65/29/467516529.db2.gz AQMBJWPNEIHPRZ-CABCVRRESA-N 1 3 334.464 2.055 10 0 EEAEHO CCc1cc(CCC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)on1 ZINC000450640948 467884747 /nfs/dbraw/zinc/88/47/47/467884747.db2.gz HKJKHXPKPZYUQD-LPHOPBHVSA-N 1 3 334.508 2.127 10 0 EEAEHO CCc1cc(CCC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)on1 ZINC000450640948 467884752 /nfs/dbraw/zinc/88/47/52/467884752.db2.gz HKJKHXPKPZYUQD-LPHOPBHVSA-N 1 3 334.508 2.127 10 0 EEAEHO CCc1cc(CCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)on1 ZINC000450640948 467884758 /nfs/dbraw/zinc/88/47/58/467884758.db2.gz HKJKHXPKPZYUQD-LPHOPBHVSA-N 1 3 334.508 2.127 10 0 EEAEHO CC(C)[NH+]1CCC(O)(CNCc2ccnn2-c2ccccc2)CC1 ZINC000515289121 467982566 /nfs/dbraw/zinc/98/25/66/467982566.db2.gz ZAVDATVESFWGMO-UHFFFAOYSA-N 1 3 328.460 2.197 10 0 EEAEHO COCC(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)c1 ZINC000516200467 468019175 /nfs/dbraw/zinc/01/91/75/468019175.db2.gz KFQKXRJIXCDNME-KURKYZTESA-N 1 3 331.460 2.234 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000570617969 468665747 /nfs/dbraw/zinc/66/57/47/468665747.db2.gz FJMDHXDVXMGGLX-NBMJBFSESA-N 1 3 344.503 2.194 10 0 EEAEHO CC[NH+]1CCC(CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000583884979 468770713 /nfs/dbraw/zinc/77/07/13/468770713.db2.gz VXPSNXBMBNPIEB-IBGZPJMESA-N 1 3 346.519 2.190 10 0 EEAEHO CC(C)C(=O)NC[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000571410915 468785779 /nfs/dbraw/zinc/78/57/79/468785779.db2.gz LRLGITAFEDPRLV-KRWDZBQOSA-N 1 3 329.488 2.317 10 0 EEAEHO C[C@@H]1CCCCN1CCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000573134522 469068362 /nfs/dbraw/zinc/06/83/62/469068362.db2.gz MCZVSVOJNITFLN-MJGOQNOKSA-N 1 3 329.488 2.499 10 0 EEAEHO C[C@@H]1CCCCN1CCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000573134522 469068364 /nfs/dbraw/zinc/06/83/64/469068364.db2.gz MCZVSVOJNITFLN-MJGOQNOKSA-N 1 3 329.488 2.499 10 0 EEAEHO CN1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000615182554 469173216 /nfs/dbraw/zinc/17/32/16/469173216.db2.gz KMVRCICYOHMFHD-ZCNNSNEGSA-N 1 3 341.499 2.104 10 0 EEAEHO CN1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000615182554 469173221 /nfs/dbraw/zinc/17/32/21/469173221.db2.gz KMVRCICYOHMFHD-ZCNNSNEGSA-N 1 3 341.499 2.104 10 0 EEAEHO CCOC(=O)C1([C@@H](C)NCc2c(C3CCC3)cnn2C)CC[NH2+]CC1 ZINC000596651877 469321955 /nfs/dbraw/zinc/32/19/55/469321955.db2.gz OMMNNZQFELCVNH-CQSZACIVSA-N 1 3 348.491 2.099 10 0 EEAEHO CN1CCC[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000618546196 469383999 /nfs/dbraw/zinc/38/39/99/469383999.db2.gz CKZPJKSLMLHMLI-ZWKOTPCHSA-N 1 3 330.476 2.217 10 0 EEAEHO COC[C@H](CCC[NH3+])N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000629515755 469571039 /nfs/dbraw/zinc/57/10/39/469571039.db2.gz WMCNYIMRYHYXSS-GZBFAFLISA-N 1 3 332.366 2.265 10 0 EEAEHO COc1ncc(Br)cc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629524410 469572998 /nfs/dbraw/zinc/57/29/98/469572998.db2.gz QZXKEGHXUCVANE-JTNHKYCSSA-N 1 3 340.265 2.330 10 0 EEAEHO Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCCOCCC[NH3+] ZINC000629677124 469604480 /nfs/dbraw/zinc/60/44/80/469604480.db2.gz CAPCXCOPTZCUQB-UHFFFAOYSA-N 1 3 338.402 2.222 10 0 EEAEHO C[NH2+]C1(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCC1 ZINC000629999418 469697943 /nfs/dbraw/zinc/69/79/43/469697943.db2.gz IIOBKOJDVLMUGC-INIZCTEOSA-N 1 3 333.451 2.296 10 0 EEAEHO COc1cccc2cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)oc21 ZINC000617504324 469701870 /nfs/dbraw/zinc/70/18/70/469701870.db2.gz PXXUQKUZHCAXMB-AWEZNQCLSA-N 1 3 347.459 2.443 10 0 EEAEHO COc1cccc2cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)oc21 ZINC000617504324 469701874 /nfs/dbraw/zinc/70/18/74/469701874.db2.gz PXXUQKUZHCAXMB-AWEZNQCLSA-N 1 3 347.459 2.443 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](C)Cc1ccccc1F ZINC000617505674 469703269 /nfs/dbraw/zinc/70/32/69/469703269.db2.gz MFFZEYUZYYALAK-HOTGVXAUSA-N 1 3 337.483 2.393 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](C)Cc1ccccc1F ZINC000617505674 469703273 /nfs/dbraw/zinc/70/32/73/469703273.db2.gz MFFZEYUZYYALAK-HOTGVXAUSA-N 1 3 337.483 2.393 10 0 EEAEHO CCCN1CC[C@@H](NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000619900052 469706782 /nfs/dbraw/zinc/70/67/82/469706782.db2.gz RLBWALOZHJPAGS-QGZVFWFLSA-N 1 3 330.476 2.207 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C[NH2+]1 ZINC000626916704 469754018 /nfs/dbraw/zinc/75/40/18/469754018.db2.gz OMWRJKYJRTURTG-NXHRZFHOSA-N 1 3 330.476 2.263 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000626994822 469781181 /nfs/dbraw/zinc/78/11/81/469781181.db2.gz KIETVAQPOMWMAM-XGXHKWSGSA-N 1 3 344.503 2.479 10 0 EEAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)N(C)C ZINC000627033418 469796991 /nfs/dbraw/zinc/79/69/91/469796991.db2.gz IZUPUCSEWWCTDV-HPFXQQBRSA-N 1 3 332.492 2.426 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000627167077 469832281 /nfs/dbraw/zinc/83/22/81/469832281.db2.gz VQWFELMTPSTOFZ-NZSAHSFTSA-N 1 3 344.503 2.433 10 0 EEAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627197767 469841603 /nfs/dbraw/zinc/84/16/03/469841603.db2.gz NVGAVQBSNQWKEM-YJBOKZPZSA-N 1 3 332.492 2.420 10 0 EEAEHO NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000624132614 469851137 /nfs/dbraw/zinc/85/11/37/469851137.db2.gz UPZHUAOAROKKPX-IEWDOMPSSA-N 1 3 327.472 2.141 10 0 EEAEHO C[C@]1(C[NH2+]CCCN2CCN(c3ccncc3)CC2)CCCS1 ZINC000628210444 470076628 /nfs/dbraw/zinc/07/66/28/470076628.db2.gz XOROLWCPGJWWKQ-GOSISDBHSA-N 1 3 334.533 2.469 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)CC[N@@H+]1C ZINC000631805594 470184883 /nfs/dbraw/zinc/18/48/83/470184883.db2.gz QTKUDCKZXKDAPR-OWCLPIDISA-N 1 3 331.460 2.073 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)CC[N@H+]1C ZINC000631805594 470184884 /nfs/dbraw/zinc/18/48/84/470184884.db2.gz QTKUDCKZXKDAPR-OWCLPIDISA-N 1 3 331.460 2.073 10 0 EEAEHO COCCC1(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC[NH2+]CC1 ZINC000649332334 470548751 /nfs/dbraw/zinc/54/87/51/470548751.db2.gz UCFZKMDEDDCXQW-KRWDZBQOSA-N 1 3 347.503 2.029 10 0 EEAEHO CN1CC[C@H](NC(=O)NCc2ccc(C[NH3+])cc2)[C@@H]1c1ccccc1 ZINC000646190768 470560634 /nfs/dbraw/zinc/56/06/34/470560634.db2.gz AARATEBDSATAIN-OALUTQOASA-N 1 3 338.455 2.390 10 0 EEAEHO O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000649373404 470564040 /nfs/dbraw/zinc/56/40/40/470564040.db2.gz YFILRHGLVUAIQU-ROUUACIJSA-N 1 3 342.487 2.085 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000633803775 470597454 /nfs/dbraw/zinc/59/74/54/470597454.db2.gz PIGRUKOFAKGIMH-LMMKCTJWSA-N 1 3 329.488 2.213 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000633803775 470597456 /nfs/dbraw/zinc/59/74/56/470597456.db2.gz PIGRUKOFAKGIMH-LMMKCTJWSA-N 1 3 329.488 2.213 10 0 EEAEHO C[C@@H](NCC1CC[NH+](CCN(C)C)CC1)c1cc2n(n1)CCCC2 ZINC000647288147 470877117 /nfs/dbraw/zinc/87/71/17/470877117.db2.gz OIQITGQNHFIXNI-MRXNPFEDSA-N 1 3 333.524 2.144 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CN1Cc1ccccc1 ZINC000654486487 471037562 /nfs/dbraw/zinc/03/75/62/471037562.db2.gz SEGWCYFMELDFSR-YSHGAJCASA-N 1 3 344.503 2.289 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654518873 471052167 /nfs/dbraw/zinc/05/21/67/471052167.db2.gz INUBUJLHXHNHAX-NXHRZFHOSA-N 1 3 332.492 2.146 10 0 EEAEHO CC(C)OCCN1CCC([NH2+]Cc2ccnn2-c2ccncc2)CC1 ZINC000657382334 471120258 /nfs/dbraw/zinc/12/02/58/471120258.db2.gz CJRLKDDXNKLZDC-UHFFFAOYSA-N 1 3 343.475 2.246 10 0 EEAEHO CC(C)OCC[NH+]1CCC(NCc2ccnn2-c2ccncc2)CC1 ZINC000657382334 471120265 /nfs/dbraw/zinc/12/02/65/471120265.db2.gz CJRLKDDXNKLZDC-UHFFFAOYSA-N 1 3 343.475 2.246 10 0 EEAEHO C[C@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)C1 ZINC000654851978 471203041 /nfs/dbraw/zinc/20/30/41/471203041.db2.gz NSOXJSLDWSOWJY-ZWKOTPCHSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)C1 ZINC000654851978 471203045 /nfs/dbraw/zinc/20/30/45/471203045.db2.gz NSOXJSLDWSOWJY-ZWKOTPCHSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@H]1C[C@@H](NC2(CN3CCN(c4ccccc4)CC3)CC2)CC[N@@H+]1C ZINC000658249406 471280208 /nfs/dbraw/zinc/28/02/08/471280208.db2.gz DZIMTIOXFDZNSD-OALUTQOASA-N 1 3 342.531 2.414 10 0 EEAEHO C[C@H]1C[C@@H](NC2(CN3CCN(c4ccccc4)CC3)CC2)CC[N@H+]1C ZINC000658249406 471280209 /nfs/dbraw/zinc/28/02/09/471280209.db2.gz DZIMTIOXFDZNSD-OALUTQOASA-N 1 3 342.531 2.414 10 0 EEAEHO CN1CCC[C@@H](NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000652417913 471288822 /nfs/dbraw/zinc/28/88/22/471288822.db2.gz LCOHMSARGHETKJ-GOSISDBHSA-N 1 3 344.503 2.435 10 0 EEAEHO CN1CCC[C@@H](NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC000652417913 471288825 /nfs/dbraw/zinc/28/88/25/471288825.db2.gz LCOHMSARGHETKJ-GOSISDBHSA-N 1 3 344.503 2.435 10 0 EEAEHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CS1 ZINC000655730897 471458403 /nfs/dbraw/zinc/45/84/03/471458403.db2.gz VSVOCTNAAWDRRF-RHSMWYFYSA-N 1 3 335.517 2.352 10 0 EEAEHO C[NH+]1CCC(C)(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659038584 471481440 /nfs/dbraw/zinc/48/14/40/471481440.db2.gz SWYVCSQBMKNGHG-QGZVFWFLSA-N 1 3 346.475 2.201 10 0 EEAEHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655961894 471558073 /nfs/dbraw/zinc/55/80/73/471558073.db2.gz BUYRSXMKNJTJSL-FHLIZLRMSA-N 1 3 332.492 2.449 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000659437640 471627939 /nfs/dbraw/zinc/62/79/39/471627939.db2.gz GBEFAXNMBZOMPA-ZWKOTPCHSA-N 1 3 332.492 2.324 10 0 EEAEHO CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCN(CC)C1 ZINC000664151306 471656372 /nfs/dbraw/zinc/65/63/72/471656372.db2.gz IIFHJFGFCXMGEO-CVEARBPZSA-N 1 3 326.529 2.479 10 0 EEAEHO CO[C@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCCC1 ZINC000660128046 471873422 /nfs/dbraw/zinc/87/34/22/471873422.db2.gz IJTDQZDUJBKVJC-JIRNRHONSA-N 1 3 335.536 2.434 10 0 EEAEHO CO[C@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CCCC1 ZINC000660128046 471873427 /nfs/dbraw/zinc/87/34/27/471873427.db2.gz IJTDQZDUJBKVJC-JIRNRHONSA-N 1 3 335.536 2.434 10 0 EEAEHO CC[C@H](NC1CCN(C(=O)CCC[NH2+]C)CC1)c1ccc(F)cn1 ZINC000665287856 471990671 /nfs/dbraw/zinc/99/06/71/471990671.db2.gz WRCYBNDZFFBPBI-INIZCTEOSA-N 1 3 336.455 2.252 10 0 EEAEHO c1cc2c(c([C@@H]3CCCN3C[C@@H]3CCC4(C[NH2+]C4)O3)c1)OCCO2 ZINC000662255294 472044306 /nfs/dbraw/zinc/04/43/06/472044306.db2.gz BUHMUGNHYKCYEV-HOCLYGCPSA-N 1 3 330.428 2.116 10 0 EEAEHO Fc1ccc(C[N@H+](C[C@@H]2CCC3(CNC3)O2)C2CCOCC2)cc1 ZINC000662279143 472054905 /nfs/dbraw/zinc/05/49/05/472054905.db2.gz RGPWKKBMUNXOLC-SFHVURJKSA-N 1 3 334.435 2.328 10 0 EEAEHO Fc1ccc(C[N@@H+](C[C@@H]2CCC3(CNC3)O2)C2CCOCC2)cc1 ZINC000662279143 472054909 /nfs/dbraw/zinc/05/49/09/472054909.db2.gz RGPWKKBMUNXOLC-SFHVURJKSA-N 1 3 334.435 2.328 10 0 EEAEHO CN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000668330681 472088176 /nfs/dbraw/zinc/08/81/76/472088176.db2.gz XERJMZVVNIMCQB-RTBURBONSA-N 1 3 329.488 2.152 10 0 EEAEHO CN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000668330681 472088181 /nfs/dbraw/zinc/08/81/81/472088181.db2.gz XERJMZVVNIMCQB-RTBURBONSA-N 1 3 329.488 2.152 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000665640108 472120304 /nfs/dbraw/zinc/12/03/04/472120304.db2.gz NMFSAKXIUPRZPC-HKUYNNGSSA-N 1 3 346.519 2.458 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000665640108 472120309 /nfs/dbraw/zinc/12/03/09/472120309.db2.gz NMFSAKXIUPRZPC-HKUYNNGSSA-N 1 3 346.519 2.458 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)[C@H]2CCCC[C@H]21 ZINC000665760902 472176218 /nfs/dbraw/zinc/17/62/18/472176218.db2.gz RLBPUAJAXRPBPA-XMTFNYHQSA-N 1 3 338.540 2.479 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)[C@H]2CCCC[C@H]21 ZINC000665760902 472176224 /nfs/dbraw/zinc/17/62/24/472176224.db2.gz RLBPUAJAXRPBPA-XMTFNYHQSA-N 1 3 338.540 2.479 10 0 EEAEHO CCC[C@H](C)CCCN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000629542874 485730694 /nfs/dbraw/zinc/73/06/94/485730694.db2.gz OADCJISWPPQGSL-CGTJXYLNSA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@H](O)CN1CCC(C[N@H+](C)CCC(=O)c2ccc(F)cc2)CC1 ZINC000179691413 534077485 /nfs/dbraw/zinc/07/74/85/534077485.db2.gz ZQFXETHYJXTAMD-HNNXBMFYSA-N 1 3 336.451 2.423 10 0 EEAEHO C[C@H](O)CN1CCC(C[N@@H+](C)CCC(=O)c2ccc(F)cc2)CC1 ZINC000179691413 534077490 /nfs/dbraw/zinc/07/74/90/534077490.db2.gz ZQFXETHYJXTAMD-HNNXBMFYSA-N 1 3 336.451 2.423 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000339910930 517906344 /nfs/dbraw/zinc/90/63/44/517906344.db2.gz CDJQZPQFXZHSRP-LJQANCHMSA-N 1 3 346.519 2.143 10 0 EEAEHO O=C(CCN1CCc2ccccc2C1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000416126840 534417421 /nfs/dbraw/zinc/41/74/21/534417421.db2.gz BYRYDZAYKDLXNM-INIZCTEOSA-N 1 3 327.472 2.035 10 0 EEAEHO O=C(CCN1CCc2ccccc2C1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000416126840 534417430 /nfs/dbraw/zinc/41/74/30/534417430.db2.gz BYRYDZAYKDLXNM-INIZCTEOSA-N 1 3 327.472 2.035 10 0 EEAEHO CCN1CCC[C@@H]1CNC(=S)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000730736515 577052823 /nfs/dbraw/zinc/05/28/23/577052823.db2.gz UQHSPFKZDUKFPX-SJORKVTESA-N 1 3 338.565 2.296 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccccn1 ZINC001485750878 1191931666 /nfs/dbraw/zinc/93/16/66/1191931666.db2.gz DDQLVQVUNWFHDG-FUHWJXTLSA-N 1 3 332.492 2.331 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CCc1ccc(C)cc1)C1CC1 ZINC001670545531 1176876441 /nfs/dbraw/zinc/87/64/41/1176876441.db2.gz VPHGFURKCBQKOF-LJQANCHMSA-N 1 3 340.471 2.296 10 0 EEAEHO Cc1ccc(CNCCN(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)c(C)n1 ZINC001481252389 1180473877 /nfs/dbraw/zinc/47/38/77/1180473877.db2.gz SQMFJINXXYOHJZ-IBGZPJMESA-N 1 3 346.519 2.367 10 0 EEAEHO Cc1ccc(CNCCN(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c(C)n1 ZINC001481252389 1180473879 /nfs/dbraw/zinc/47/38/79/1180473879.db2.gz SQMFJINXXYOHJZ-IBGZPJMESA-N 1 3 346.519 2.367 10 0 EEAEHO CN(CC[NH2+]CC[C@@H]1CCc2ccccc21)C(=O)Cc1c[nH]cn1 ZINC001481285035 1180841378 /nfs/dbraw/zinc/84/13/78/1180841378.db2.gz PUNVOSXPZMEFLD-INIZCTEOSA-N 1 3 326.444 2.120 10 0 EEAEHO CC[N@H+](C)CCC(=O)N(C)CCN[C@H]1CCc2c1cc(F)cc2F ZINC001481297429 1180945493 /nfs/dbraw/zinc/94/54/93/1180945493.db2.gz OWGDGYFSRFSEOF-KRWDZBQOSA-N 1 3 339.430 2.342 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@H]1CCc2c1cc(F)cc2F ZINC001481297429 1180945501 /nfs/dbraw/zinc/94/55/01/1180945501.db2.gz OWGDGYFSRFSEOF-KRWDZBQOSA-N 1 3 339.430 2.342 10 0 EEAEHO COc1cccc(CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001268055336 1181612066 /nfs/dbraw/zinc/61/20/66/1181612066.db2.gz OPUPGRCRFPHFTK-APWZRJJASA-N 1 3 347.503 2.159 10 0 EEAEHO Cc1cc(CNCC[C@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)on1 ZINC001268161458 1181875086 /nfs/dbraw/zinc/87/50/86/1181875086.db2.gz BNQHOBAROQTHTH-DLBZAZTESA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1cc(CNCC[C@H]2CCCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)on1 ZINC001268161458 1181875092 /nfs/dbraw/zinc/87/50/92/1181875092.db2.gz BNQHOBAROQTHTH-DLBZAZTESA-N 1 3 348.491 2.186 10 0 EEAEHO CCCN(C)CC(=O)NCC1C[NH+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC001481656731 1182145998 /nfs/dbraw/zinc/14/59/98/1182145998.db2.gz YJZLDXVFUIQUMV-CQSZACIVSA-N 1 3 331.451 2.202 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001268290937 1182180527 /nfs/dbraw/zinc/18/05/27/1182180527.db2.gz LAXDYTHFGAOYAE-NWDGAFQWSA-N 1 3 332.370 2.088 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCF)C1 ZINC001481986337 1183090519 /nfs/dbraw/zinc/09/05/19/1183090519.db2.gz MQYHHRJJRVXYCW-SJORKVTESA-N 1 3 327.488 2.437 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NCCC2CCN(Cc3cccnc3)CC2)C1 ZINC001482049773 1183239485 /nfs/dbraw/zinc/23/94/85/1183239485.db2.gz JTVSCKYSSFHSDZ-GOSISDBHSA-N 1 3 344.503 2.142 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NCCC2CCN(Cc3cccnc3)CC2)C1 ZINC001482049773 1183239488 /nfs/dbraw/zinc/23/94/88/1183239488.db2.gz JTVSCKYSSFHSDZ-GOSISDBHSA-N 1 3 344.503 2.142 10 0 EEAEHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]C/C=C\Cl)CCC1 ZINC001268768528 1183685769 /nfs/dbraw/zinc/68/57/69/1183685769.db2.gz YKYBZRZUTXKJFE-JDBPXVJJSA-N 1 3 327.900 2.488 10 0 EEAEHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCc1cccs1)N(C)C ZINC001270293574 1184994192 /nfs/dbraw/zinc/99/41/92/1184994192.db2.gz WJXPUVOKPVFQKV-NVXWUHKLSA-N 1 3 337.533 2.457 10 0 EEAEHO C[C@H](C[NH2+]CCc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCCN1C ZINC001482320079 1185336501 /nfs/dbraw/zinc/33/65/01/1185336501.db2.gz QWUWZKDPENMNKO-RHSMWYFYSA-N 1 3 337.895 2.413 10 0 EEAEHO C[C@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001482330867 1185415085 /nfs/dbraw/zinc/41/50/85/1185415085.db2.gz MUMRMBJDOUOZAN-ZIAGYGMSSA-N 1 3 338.883 2.013 10 0 EEAEHO COCC[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC001270826726 1185430651 /nfs/dbraw/zinc/43/06/51/1185430651.db2.gz VSJAZKIRPJDBFE-UHFFFAOYSA-N 1 3 333.476 2.027 10 0 EEAEHO C[C@@H](F)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001280364902 1185883162 /nfs/dbraw/zinc/88/31/62/1185883162.db2.gz HYGBSVWZYJOCLM-BZUAXINKSA-N 1 3 327.488 2.483 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cnc(C)s1 ZINC001482691456 1187665686 /nfs/dbraw/zinc/66/56/86/1187665686.db2.gz FMJMMQKZGFLECU-HOCLYGCPSA-N 1 3 338.521 2.168 10 0 EEAEHO C[C@H](CCNCc1cc(F)ccc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001482864734 1187784857 /nfs/dbraw/zinc/78/48/57/1187784857.db2.gz CMIVFULYJFYEFQ-CYBMUJFWSA-N 1 3 339.430 2.291 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCc1c(F)cccc1F ZINC001409474605 1189791809 /nfs/dbraw/zinc/79/18/09/1189791809.db2.gz PSGWMRPNBHOEDX-ZIAGYGMSSA-N 1 3 341.446 2.330 10 0 EEAEHO Cc1ncoc1CNCCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001483497983 1190514588 /nfs/dbraw/zinc/51/45/88/1190514588.db2.gz ICBGWEYHFARUMR-UHFFFAOYSA-N 1 3 344.459 2.297 10 0 EEAEHO Cc1ncoc1CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001483913145 1191114123 /nfs/dbraw/zinc/11/41/23/1191114123.db2.gz FQDRIISPCHWMAO-NVXWUHKLSA-N 1 3 348.491 2.328 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1(C)CC[NH+](Cc2cccnc2)CC1 ZINC001484146325 1191235093 /nfs/dbraw/zinc/23/50/93/1191235093.db2.gz BCBKHXYCTOLVRD-UHFFFAOYSA-N 1 3 332.492 2.140 10 0 EEAEHO COc1ccc(CN2C[C@@H]3CCCN(C(=O)CC[NH+](C)C)[C@@H]3C2)cc1 ZINC001484473317 1191378037 /nfs/dbraw/zinc/37/80/37/1191378037.db2.gz PQQYUTCLPWWXPH-PKOBYXMFSA-N 1 3 345.487 2.070 10 0 EEAEHO C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1NCc1ccccc1F ZINC001484905056 1191569667 /nfs/dbraw/zinc/56/96/67/1191569667.db2.gz MYMKKHUGSIFPHP-YJBOKZPZSA-N 1 3 335.467 2.494 10 0 EEAEHO Cc1nc(C)c(CN2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C)s1 ZINC001484976999 1191596933 /nfs/dbraw/zinc/59/69/33/1191596933.db2.gz OWPUXXAJZSBOAM-WFASDCNBSA-N 1 3 338.521 2.181 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2CN(C)CCOCC)C1 ZINC001485067732 1191635563 /nfs/dbraw/zinc/63/55/63/1191635563.db2.gz TXHNQLVUYDRFCZ-QZTJIDSGSA-N 1 3 339.524 2.068 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2CN(C)CCOCC)C1 ZINC001485067732 1191635565 /nfs/dbraw/zinc/63/55/65/1191635565.db2.gz TXHNQLVUYDRFCZ-QZTJIDSGSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1ncc(CN[C@H](C)[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)s1 ZINC001485167139 1191677093 /nfs/dbraw/zinc/67/70/93/1191677093.db2.gz UNVXETFEMUPNLT-CHWSQXEVSA-N 1 3 336.505 2.063 10 0 EEAEHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC001485196816 1191682102 /nfs/dbraw/zinc/68/21/02/1191682102.db2.gz YGWUTEZFPKDMQW-UONOGXRCSA-N 1 3 338.471 2.181 10 0 EEAEHO COC[C@H](C)[NH+]1CCC([C@H](C)NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001486449148 1193963578 /nfs/dbraw/zinc/96/35/78/1193963578.db2.gz PWLRPFSQPIJBIZ-HOTGVXAUSA-N 1 3 341.540 2.216 10 0 EEAEHO Cc1nc(C)c(CNC2CC(N(C)C(=O)CC[C@H]3CCC[N@@H+]3C)C2)o1 ZINC001486465579 1193980628 /nfs/dbraw/zinc/98/06/28/1193980628.db2.gz AGCYYNQXWKNCRE-AQFXKWCLSA-N 1 3 348.491 2.245 10 0 EEAEHO Cc1nc(C)c(CNC2CC(N(C)C(=O)CC[C@H]3CCC[N@H+]3C)C2)o1 ZINC001486465579 1193980637 /nfs/dbraw/zinc/98/06/37/1193980637.db2.gz AGCYYNQXWKNCRE-AQFXKWCLSA-N 1 3 348.491 2.245 10 0 EEAEHO C[NH+](C)CCCC(=O)NC1(C2CCN(Cc3cccnc3)CC2)CC1 ZINC001486489664 1194001213 /nfs/dbraw/zinc/00/12/13/1194001213.db2.gz SYIIAQYRGUCANE-UHFFFAOYSA-N 1 3 344.503 2.284 10 0 EEAEHO CCCN(C)CC(=O)NCC1=CC[N@H+](CC[C@@H]2CCCCO2)CC1 ZINC001486519970 1194041117 /nfs/dbraw/zinc/04/11/17/1194041117.db2.gz YFKREXOOVKGBFZ-SFHVURJKSA-N 1 3 337.508 2.036 10 0 EEAEHO CCCN(C)CC(=O)NCC1=CC[N@@H+](CC[C@@H]2CCCCO2)CC1 ZINC001486519970 1194041122 /nfs/dbraw/zinc/04/11/22/1194041122.db2.gz YFKREXOOVKGBFZ-SFHVURJKSA-N 1 3 337.508 2.036 10 0 EEAEHO Cc1cnc(CNCC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC001273052293 1194357097 /nfs/dbraw/zinc/35/70/97/1194357097.db2.gz KJMBZOSJBVKJSC-MAUKXSAKSA-N 1 3 347.507 2.032 10 0 EEAEHO Cc1cnc(CNCC[C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)cn1 ZINC001273052293 1194357103 /nfs/dbraw/zinc/35/71/03/1194357103.db2.gz KJMBZOSJBVKJSC-MAUKXSAKSA-N 1 3 347.507 2.032 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)[C@@H](C[NH2+]CC2CC(F)(F)C2)C2CC2)C1 ZINC001410310184 1197672991 /nfs/dbraw/zinc/67/29/91/1197672991.db2.gz KYWJVSDXCBMMSR-CJNGLKHVSA-N 1 3 343.462 2.200 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCc2cnccc2C)CC[N@@H+]1C ZINC001410392016 1197792608 /nfs/dbraw/zinc/79/26/08/1197792608.db2.gz YHJCADYGEYWKFW-RYQLBKOJSA-N 1 3 332.492 2.057 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCc2cnccc2C)CC[N@H+]1C ZINC001410392016 1197792612 /nfs/dbraw/zinc/79/26/12/1197792612.db2.gz YHJCADYGEYWKFW-RYQLBKOJSA-N 1 3 332.492 2.057 10 0 EEAEHO [NH3+][C@@H](C[C@H]1CCCN(CC2CCS(=O)(=O)CC2)C1)C1CCCC1 ZINC000872158507 1198063762 /nfs/dbraw/zinc/06/37/62/1198063762.db2.gz VZGTULVEEXLQFW-AEFFLSMTSA-N 1 3 342.549 2.431 10 0 EEAEHO CC(C)(O)C[C@@H](O)CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000872208066 1198086764 /nfs/dbraw/zinc/08/67/64/1198086764.db2.gz BPQPTZRLBPMESC-RTBURBONSA-N 1 3 334.504 2.400 10 0 EEAEHO CC(C)(O)C[C@@H](O)CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000872208066 1198086772 /nfs/dbraw/zinc/08/67/72/1198086772.db2.gz BPQPTZRLBPMESC-RTBURBONSA-N 1 3 334.504 2.400 10 0 EEAEHO CC(C)(O)C[C@@H](O)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000872208066 1198086779 /nfs/dbraw/zinc/08/67/79/1198086779.db2.gz BPQPTZRLBPMESC-RTBURBONSA-N 1 3 334.504 2.400 10 0 EEAEHO CN1CCC(NC(=S)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000865265104 1198146608 /nfs/dbraw/zinc/14/66/08/1198146608.db2.gz FPGWCEYHBDDIJO-KRWDZBQOSA-N 1 3 338.565 2.342 10 0 EEAEHO CN1CCC(NC(=S)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000865265104 1198146610 /nfs/dbraw/zinc/14/66/10/1198146610.db2.gz FPGWCEYHBDDIJO-KRWDZBQOSA-N 1 3 338.565 2.342 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCc2ccccc2F)C[C@@H]1C ZINC001410837395 1198481093 /nfs/dbraw/zinc/48/10/93/1198481093.db2.gz BFAGRJIYNFHDEY-RDJZCZTQSA-N 1 3 335.467 2.287 10 0 EEAEHO C[C@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)CN(C)C1CCC1 ZINC001274787203 1205165027 /nfs/dbraw/zinc/16/50/27/1205165027.db2.gz FTQSKVBBLRCEEQ-CQSZACIVSA-N 1 3 337.895 2.461 10 0 EEAEHO C[C@@H]1[C@H](C(=O)N(C)CCCNCc2cccc(F)c2F)CC[N@@H+]1C ZINC001276007021 1205632004 /nfs/dbraw/zinc/63/20/04/1205632004.db2.gz JQFGIYYENRTCEY-UKRRQHHQSA-N 1 3 339.430 2.243 10 0 EEAEHO C[C@@H]1[C@H](C(=O)N(C)CCCNCc2cccc(F)c2F)CC[N@H+]1C ZINC001276007021 1205632006 /nfs/dbraw/zinc/63/20/06/1205632006.db2.gz JQFGIYYENRTCEY-UKRRQHHQSA-N 1 3 339.430 2.243 10 0 EEAEHO COc1cc(OC)cc(N2CC[C@H](CN[C@H]3CCC[NH2+][C@@H]3C)C2)c1 ZINC000925552432 1206127069 /nfs/dbraw/zinc/12/70/69/1206127069.db2.gz KXBKFLNYMSHCND-CLCXKQKWSA-N 1 3 333.476 2.260 10 0 EEAEHO COc1ccc(C)cc1[C@@H](C)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853000 1206160901 /nfs/dbraw/zinc/16/09/01/1206160901.db2.gz JDLYNXGGGQDSIX-HUUCEWRRSA-N 1 3 332.444 2.340 10 0 EEAEHO CN(C[C@H](O)CCC1(O)CCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000929755654 1206498170 /nfs/dbraw/zinc/49/81/70/1206498170.db2.gz VVNIABODARVKMQ-VQTJNVASSA-N 1 3 346.515 2.496 10 0 EEAEHO CN(C[C@H](O)CCC1(O)CCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000929755654 1206498171 /nfs/dbraw/zinc/49/81/71/1206498171.db2.gz VVNIABODARVKMQ-VQTJNVASSA-N 1 3 346.515 2.496 10 0 EEAEHO CCn1nccc1CNCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000718010188 1211700845 /nfs/dbraw/zinc/70/08/45/1211700845.db2.gz GNRCFPCLJBIPCM-UHFFFAOYSA-N 1 3 342.487 2.410 10 0 EEAEHO CS[C@H]1CN(C(=O)c2ccc(NC3=NCCC3)cc2)C[C@@H]1[NH+](C)C ZINC000901231708 1235424688 /nfs/dbraw/zinc/42/46/88/1235424688.db2.gz WRDCIYPATBQOQE-HOTGVXAUSA-N 1 3 346.500 2.408 10 0 EEAEHO c1cc2c(cc1[C@@H]1CCCN1C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)OCCO2 ZINC000903717985 1241708560 /nfs/dbraw/zinc/70/85/60/1241708560.db2.gz GTUREIGNFUMNRJ-ZWOKBUDYSA-N 1 3 344.455 2.363 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN2CC[C@H](COc3ccccc3)C2)cnn1C ZINC000903902814 1242409573 /nfs/dbraw/zinc/40/95/73/1242409573.db2.gz NOMHVRFPBUTXBO-ZWKOTPCHSA-N 1 3 342.487 2.247 10 0 EEAEHO CCOc1ccc(CNC[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1OC ZINC000903923409 1242517062 /nfs/dbraw/zinc/51/70/62/1242517062.db2.gz SVYMQNXXXWYRAD-MRXNPFEDSA-N 1 3 346.475 2.043 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001491055119 1258623821 /nfs/dbraw/zinc/62/38/21/1258623821.db2.gz KUKGGVLMJUWYNF-QRQLOZEOSA-N 1 3 329.488 2.198 10 0 EEAEHO COCCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001491219298 1258798730 /nfs/dbraw/zinc/79/87/30/1258798730.db2.gz OWPGENMOMFQOHT-KRWDZBQOSA-N 1 3 339.524 2.258 10 0 EEAEHO COCCCC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001491219298 1258798731 /nfs/dbraw/zinc/79/87/31/1258798731.db2.gz OWPGENMOMFQOHT-KRWDZBQOSA-N 1 3 339.524 2.258 10 0 EEAEHO C[NH+](C)CCCCC(=O)NC[C@H]1CCCCN1C[C@H]1CCCCO1 ZINC001491231091 1258834109 /nfs/dbraw/zinc/83/41/09/1258834109.db2.gz RDFINLINFDKNJL-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO CC[C@H](C(=O)NC1CCC(NCc2nccn2C)CC1)[NH+](CC)CC ZINC001491362082 1259001710 /nfs/dbraw/zinc/00/17/10/1259001710.db2.gz WEYKPWSHBLDYMH-OFLPRAFFSA-N 1 3 349.523 2.058 10 0 EEAEHO CC(C)Oc1cccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCN2C)c1 ZINC001273910346 1289775927 /nfs/dbraw/zinc/77/59/27/1289775927.db2.gz PGIWGBKEZGMVLL-VZSQWMKGSA-N 1 3 345.487 2.330 10 0 EEAEHO COCCC[NH2+][C@H]1CCCCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001489238221 1290487535 /nfs/dbraw/zinc/48/75/35/1290487535.db2.gz ITXNJSZNDZLDTG-KRWDZBQOSA-N 1 3 341.540 2.362 10 0 EEAEHO Cc1oncc1CN[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001490740830 1291654407 /nfs/dbraw/zinc/65/44/07/1291654407.db2.gz GWOWTHOCHWZVIH-ZWKOTPCHSA-N 1 3 348.491 2.088 10 0 EEAEHO CC(C)[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856605018 1293580106 /nfs/dbraw/zinc/58/01/06/1293580106.db2.gz VIXZGFURJLAONL-RTBURBONSA-N 1 3 335.492 2.392 10 0 EEAEHO CC(C)[C@H](O)C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856605018 1293580109 /nfs/dbraw/zinc/58/01/09/1293580109.db2.gz VIXZGFURJLAONL-RTBURBONSA-N 1 3 335.492 2.392 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)nc2)C1)N(C)C ZINC001490903626 1294710318 /nfs/dbraw/zinc/71/03/18/1294710318.db2.gz YPYXMZQZHIATOM-DZKIICNBSA-N 1 3 338.883 2.058 10 0 EEAEHO CC[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1[NH2+]CCOC ZINC001276774277 1297587741 /nfs/dbraw/zinc/58/77/41/1297587741.db2.gz XOADYRHVVVSVLC-MJGOQNOKSA-N 1 3 347.503 2.225 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCc2cccs2)C1)N(C)C ZINC001277075210 1301164400 /nfs/dbraw/zinc/16/44/00/1301164400.db2.gz SOSXMDQKCCJQQQ-ZOBUZTSGSA-N 1 3 337.533 2.361 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCNCc2cnc(C)o2)CC[N@@H+]1C ZINC001277193333 1301748977 /nfs/dbraw/zinc/74/89/77/1301748977.db2.gz DQHHQVFDNAEJHG-XOKHGSTOSA-N 1 3 336.480 2.088 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCNCc2cnc(C)o2)CC[N@H+]1C ZINC001277193333 1301748985 /nfs/dbraw/zinc/74/89/85/1301748985.db2.gz DQHHQVFDNAEJHG-XOKHGSTOSA-N 1 3 336.480 2.088 10 0 EEAEHO CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001326352533 1334074676 /nfs/dbraw/zinc/07/46/76/1334074676.db2.gz NJXYEEHBJUNSJQ-ZIAGYGMSSA-N 1 3 337.430 2.353 10 0 EEAEHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCOC1CCCCCC1 ZINC001277945494 1305230268 /nfs/dbraw/zinc/23/02/68/1305230268.db2.gz BWPSGVDVDNTAGE-HNNXBMFYSA-N 1 3 336.480 2.128 10 0 EEAEHO COc1cc(CNCc2ccc(CC[NH3+])cc2)cc2c1OCCO2 ZINC000841036666 1315459803 /nfs/dbraw/zinc/45/98/03/1315459803.db2.gz RVVSRKMPXGAFJW-UHFFFAOYSA-N 1 3 328.412 2.257 10 0 EEAEHO CC(C)=CCN1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001278526318 1317143327 /nfs/dbraw/zinc/14/33/27/1317143327.db2.gz ICIGXDQLNAFHQW-AEFFLSMTSA-N 1 3 337.508 2.033 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCCOC)CC(C)(C)C1)N(C)C ZINC001264753686 1322808438 /nfs/dbraw/zinc/80/84/38/1322808438.db2.gz MOJTUARYUOCMGC-SJORKVTESA-N 1 3 341.540 2.360 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCCCOC)CC(C)(C)C1)N(C)C ZINC001264753686 1322808448 /nfs/dbraw/zinc/80/84/48/1322808448.db2.gz MOJTUARYUOCMGC-SJORKVTESA-N 1 3 341.540 2.360 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001265061936 1322901154 /nfs/dbraw/zinc/90/11/54/1322901154.db2.gz HCRNOOUBHNNOGP-CYBMUJFWSA-N 1 3 328.407 2.134 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001265061936 1322901157 /nfs/dbraw/zinc/90/11/57/1322901157.db2.gz HCRNOOUBHNNOGP-CYBMUJFWSA-N 1 3 328.407 2.134 10 0 EEAEHO CC[C@H](C(=O)N[C@@H]1CC12CC[NH+](CCCOC(C)C)CC2)N(C)C ZINC001265329683 1323078644 /nfs/dbraw/zinc/07/86/44/1323078644.db2.gz LCOTXPNCMZSMNJ-IAGOWNOFSA-N 1 3 339.524 2.112 10 0 EEAEHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(Cl)nc2)CCC1)N(C)C ZINC001280505248 1324261340 /nfs/dbraw/zinc/26/13/40/1324261340.db2.gz IJVLJFMOWSAVGH-AWEZNQCLSA-N 1 3 338.883 2.204 10 0 EEAEHO Cc1cc(CN[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C)sn1 ZINC001281458323 1325123807 /nfs/dbraw/zinc/12/38/07/1325123807.db2.gz ODNXOFQZQHQOKS-XJKSGUPXSA-N 1 3 338.521 2.120 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@H](C)CN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001283621465 1326166740 /nfs/dbraw/zinc/16/67/40/1326166740.db2.gz LNMOXIQLUFRDMN-QGZVFWFLSA-N 1 3 347.503 2.295 10 0 EEAEHO CCN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H](C)c1cnc(C)cn1 ZINC001316907252 1331973264 /nfs/dbraw/zinc/97/32/64/1331973264.db2.gz LCNKUXRNOOGHJB-IRXDYDNUSA-N 1 3 347.507 2.016 10 0 EEAEHO CCN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H](C)c1cnc(C)cn1 ZINC001316907252 1331973266 /nfs/dbraw/zinc/97/32/66/1331973266.db2.gz LCNKUXRNOOGHJB-IRXDYDNUSA-N 1 3 347.507 2.016 10 0 EEAEHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CCCc3cccc(F)c3)C2)CCC1 ZINC001317059966 1332065026 /nfs/dbraw/zinc/06/50/26/1332065026.db2.gz SUTGSIVGJLOHHX-SFHVURJKSA-N 1 3 347.478 2.433 10 0 EEAEHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCNCc1ccc(Cl)nc1 ZINC001317668431 1332360883 /nfs/dbraw/zinc/36/08/83/1332360883.db2.gz ASTNAENOZYZCHO-ZIAGYGMSSA-N 1 3 338.883 2.156 10 0 EEAEHO CC[N@@H+]1CCC[C@H](CNC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)C1 ZINC001326816217 1334164153 /nfs/dbraw/zinc/16/41/53/1334164153.db2.gz FWBYRIDYGHNGAM-HIFRSBDPSA-N 1 3 338.883 2.281 10 0 EEAEHO CC[N@H+]1CCC[C@H](CNC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)C1 ZINC001326816217 1334164156 /nfs/dbraw/zinc/16/41/56/1334164156.db2.gz FWBYRIDYGHNGAM-HIFRSBDPSA-N 1 3 338.883 2.281 10 0 EEAEHO CC[C@@H](C(=O)NC1(C[NH2+]CC[C@H]2CCCO2)CCCCC1)N(C)C ZINC001329846395 1334725957 /nfs/dbraw/zinc/72/59/57/1334725957.db2.gz RZPSLDXLEHTBTI-SJORKVTESA-N 1 3 339.524 2.304 10 0 EEAEHO CC[NH+](CC)C[C@H]1CCN(c2nnc(C)n2CCN2CC=CCC2)C1 ZINC001615429133 1352324494 /nfs/dbraw/zinc/32/44/94/1352324494.db2.gz WESVTVLPLHTWTH-GOSISDBHSA-N 1 3 346.523 2.017 10 0 EEAEHO C[C@@H](CC[NH2+]CCc1ccccc1F)NC(=O)CN1CC[C@H](C)C1 ZINC001668214683 1355901158 /nfs/dbraw/zinc/90/11/58/1355901158.db2.gz NGRHGNWFLLZXAI-HOTGVXAUSA-N 1 3 335.467 2.194 10 0 EEAEHO Cc1oncc1CNCC[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001569984017 1342987932 /nfs/dbraw/zinc/98/79/32/1342987932.db2.gz NRLNFZJSHPNISV-FUHWJXTLSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1oncc1CNCC[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001569984017 1342987934 /nfs/dbraw/zinc/98/79/34/1342987934.db2.gz NRLNFZJSHPNISV-FUHWJXTLSA-N 1 3 348.491 2.186 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](CC[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001570004476 1342996332 /nfs/dbraw/zinc/99/63/32/1342996332.db2.gz JLESBOVPYBXABH-ZIAGYGMSSA-N 1 3 348.318 2.475 10 0 EEAEHO COCCCC[N@@H+]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001570183136 1343028394 /nfs/dbraw/zinc/02/83/94/1343028394.db2.gz CYRFZILMCOGWDV-QGZVFWFLSA-N 1 3 341.540 2.362 10 0 EEAEHO COCCCC[N@H+]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001570183136 1343028400 /nfs/dbraw/zinc/02/84/00/1343028400.db2.gz CYRFZILMCOGWDV-QGZVFWFLSA-N 1 3 341.540 2.362 10 0 EEAEHO CN(CCCNC(=O)C12CCC[NH+](CCC1)C2)CCC(F)(F)F ZINC001660190606 1354413812 /nfs/dbraw/zinc/41/38/12/1354413812.db2.gz QVZLFVYMDDQGOO-UHFFFAOYSA-N 1 3 335.414 2.253 10 0 EEAEHO CCOCCN1CCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001661885649 1354718164 /nfs/dbraw/zinc/71/81/64/1354718164.db2.gz LPSIJQZENAMGIH-ZWKOTPCHSA-N 1 3 339.524 2.258 10 0 EEAEHO CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCOC1CCC1)N(C)C ZINC001661929280 1354724614 /nfs/dbraw/zinc/72/46/14/1354724614.db2.gz DFFJTMRIBBVDRM-AEFFLSMTSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCOC1CCC1)N(C)C ZINC001661946042 1354726999 /nfs/dbraw/zinc/72/69/99/1354726999.db2.gz DFFJTMRIBBVDRM-SJLPKXTDSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1ncsc1CNCCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001664377232 1355148958 /nfs/dbraw/zinc/14/89/58/1355148958.db2.gz BBEAFEBTMWRUET-UHFFFAOYSA-N 1 3 338.521 2.266 10 0 EEAEHO Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)CN(C)C(C)C)on1 ZINC001667307215 1355706007 /nfs/dbraw/zinc/70/60/07/1355706007.db2.gz SDZQALUHTXIRDS-MRXNPFEDSA-N 1 3 336.480 2.184 10 0 EEAEHO C[C@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)CN(C)C1CCC1 ZINC001668091784 1355866922 /nfs/dbraw/zinc/86/69/22/1355866922.db2.gz CCOFXAZIOWDBDX-CYBMUJFWSA-N 1 3 339.430 2.434 10 0 EEAEHO CCN(CC[NH2+]Cc1ccc(F)c(F)c1)C(=O)CN(C)C1CCC1 ZINC001668453521 1355944172 /nfs/dbraw/zinc/94/41/72/1355944172.db2.gz UIWKRUTVADNOBN-UHFFFAOYSA-N 1 3 339.430 2.387 10 0 EEAEHO Cc1ccc(CNC/C=C\CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(C)n1 ZINC001668820363 1356012402 /nfs/dbraw/zinc/01/24/02/1356012402.db2.gz DWNRHSQFRGTHKZ-VOFKWLDRSA-N 1 3 344.503 2.333 10 0 EEAEHO Cc1ccc(CNC/C=C\CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(C)n1 ZINC001668820363 1356012408 /nfs/dbraw/zinc/01/24/08/1356012408.db2.gz DWNRHSQFRGTHKZ-VOFKWLDRSA-N 1 3 344.503 2.333 10 0 EEAEHO C[C@]1(C[NH2+]C/C=C\c2ccccc2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001671790362 1356415113 /nfs/dbraw/zinc/41/51/13/1356415113.db2.gz QUVJDGXYEIGRHX-DASIIQCKSA-N 1 3 338.455 2.494 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCNCc2ccns2)CC[N@@H+]1C ZINC001675902983 1357066165 /nfs/dbraw/zinc/06/61/65/1357066165.db2.gz JANUICNALLLQAG-VNQPRFMTSA-N 1 3 338.521 2.248 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCNCc2ccns2)CC[N@H+]1C ZINC001675902983 1357066170 /nfs/dbraw/zinc/06/61/70/1357066170.db2.gz JANUICNALLLQAG-VNQPRFMTSA-N 1 3 338.521 2.248 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCNCc1ncc(C)s1 ZINC001699108957 1405264898 /nfs/dbraw/zinc/26/48/98/1405264898.db2.gz XXETZZAYSCGICY-UKRRQHHQSA-N 1 3 338.521 2.310 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCNCc1ncc(C)s1 ZINC001699108957 1405264902 /nfs/dbraw/zinc/26/49/02/1405264902.db2.gz XXETZZAYSCGICY-UKRRQHHQSA-N 1 3 338.521 2.310 10 0 EEAEHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(C(=O)N(C)C)cc1 ZINC000925775534 775050702 /nfs/dbraw/zinc/05/07/02/775050702.db2.gz GXMUYKJOHJXYJE-SWLSCSKDSA-N 1 3 325.403 2.284 10 0 EEAEHO CN(CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)Cc1ccncc1 ZINC000908234835 785253955 /nfs/dbraw/zinc/25/39/55/785253955.db2.gz BPCZFCGXSUFZIF-MOPGFXCFSA-N 1 3 344.503 2.379 10 0 EEAEHO CN(CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)Cc1ccncc1 ZINC000908234835 785253962 /nfs/dbraw/zinc/25/39/62/785253962.db2.gz BPCZFCGXSUFZIF-MOPGFXCFSA-N 1 3 344.503 2.379 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC000585121322 786523929 /nfs/dbraw/zinc/52/39/29/786523929.db2.gz LZHWDVVOHVABGW-QGZVFWFLSA-N 1 3 327.472 2.205 10 0 EEAEHO C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000913097541 788625499 /nfs/dbraw/zinc/62/54/99/788625499.db2.gz NVWYMPYZRXXSFL-BHIYHBOVSA-N 1 3 329.488 2.355 10 0 EEAEHO C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000913097541 788625504 /nfs/dbraw/zinc/62/55/04/788625504.db2.gz NVWYMPYZRXXSFL-BHIYHBOVSA-N 1 3 329.488 2.355 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N[C@H]2CC[NH2+]C23CCCC3)cc(Cl)n1 ZINC000843514008 788670101 /nfs/dbraw/zinc/67/01/01/788670101.db2.gz HOMSRDSKKXPEPD-KGLIPLIRSA-N 1 3 336.867 2.224 10 0 EEAEHO CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000923316147 789356636 /nfs/dbraw/zinc/35/66/36/789356636.db2.gz SRDHKVIHOFASQT-WTUNAVPPSA-N 1 3 333.398 2.002 10 0 EEAEHO COc1cccc(CN(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]2CCCO2)c1 ZINC000923309072 789365242 /nfs/dbraw/zinc/36/52/42/789365242.db2.gz QGJZVXDCRQNLLP-RBUKOAKNSA-N 1 3 346.471 2.055 10 0 EEAEHO CC(C)OCc1cccc(CNC(=O)CN2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923497433 789672727 /nfs/dbraw/zinc/67/27/27/789672727.db2.gz LOYFYJQAQZQXSU-VQIMIIECSA-N 1 3 347.503 2.145 10 0 EEAEHO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501589 789686370 /nfs/dbraw/zinc/68/63/70/789686370.db2.gz VUKJVMMRHXNFDT-NFAWXSAZSA-N 1 3 339.430 2.401 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@H](C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001566225071 1125591402 /nfs/dbraw/zinc/59/14/02/1125591402.db2.gz IBLDYBTTZKJOCJ-KSZLIROESA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)[N@H+]1CCC[C@H](C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001566225071 1125591409 /nfs/dbraw/zinc/59/14/09/1125591409.db2.gz IBLDYBTTZKJOCJ-KSZLIROESA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001436473225 1087938033 /nfs/dbraw/zinc/93/80/33/1087938033.db2.gz UNJLNAVBZNDEEM-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1Cc1cccc(N(C)C)c1 ZINC001436482371 1087968061 /nfs/dbraw/zinc/96/80/61/1087968061.db2.gz XTCZFLOUZMFWOB-APWZRJJASA-N 1 3 346.519 2.173 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](NCc1ccns1)C1CC1 ZINC001436794817 1088362070 /nfs/dbraw/zinc/36/20/70/1088362070.db2.gz YTGCMDRNINGIFW-HZPDHXFCSA-N 1 3 336.505 2.000 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](NCc1ccns1)C1CC1 ZINC001436794817 1088362084 /nfs/dbraw/zinc/36/20/84/1088362084.db2.gz YTGCMDRNINGIFW-HZPDHXFCSA-N 1 3 336.505 2.000 10 0 EEAEHO Cc1oncc1CN[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001436961085 1088650433 /nfs/dbraw/zinc/65/04/33/1088650433.db2.gz SEFTWNRLVWIIOU-CALCHBBNSA-N 1 3 348.491 2.232 10 0 EEAEHO Cc1cccnc1CN[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001437262815 1089407894 /nfs/dbraw/zinc/40/78/94/1089407894.db2.gz GMDWTYLJDKLBHW-FUHWJXTLSA-N 1 3 332.492 2.105 10 0 EEAEHO Cc1ccc(F)c(C[NH2+]C[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001437333627 1089517838 /nfs/dbraw/zinc/51/78/38/1089517838.db2.gz VJEDADUULMZXTO-MRXNPFEDSA-N 1 3 335.467 2.412 10 0 EEAEHO Cc1ncc(CN[C@H](C)CCNC(=O)[C@H](C)[NH+]2CCCCCC2)o1 ZINC001437411599 1089691028 /nfs/dbraw/zinc/69/10/28/1089691028.db2.gz SAWICKXTMLJVDZ-CABCVRRESA-N 1 3 336.480 2.232 10 0 EEAEHO CCc1cccc(CN(C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001437454805 1089764671 /nfs/dbraw/zinc/76/46/71/1089764671.db2.gz COHBDNQULHXTFV-LJQANCHMSA-N 1 3 329.488 2.139 10 0 EEAEHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@@H]2CCCN2CCCF)C1 ZINC001437673636 1090202970 /nfs/dbraw/zinc/20/29/70/1090202970.db2.gz BMISSQZAOBTUPM-YOEHRIQHSA-N 1 3 331.451 2.139 10 0 EEAEHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@@H]2CCCN2CCCF)C1 ZINC001437673636 1090202977 /nfs/dbraw/zinc/20/29/77/1090202977.db2.gz BMISSQZAOBTUPM-YOEHRIQHSA-N 1 3 331.451 2.139 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CCN(C/C=C\Cl)C1 ZINC001437919879 1090507611 /nfs/dbraw/zinc/50/76/11/1090507611.db2.gz QPCBESVXMUTNAC-COXDATCZSA-N 1 3 327.900 2.440 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CCN(C/C=C\Cl)C1 ZINC001437919879 1090507616 /nfs/dbraw/zinc/50/76/16/1090507616.db2.gz QPCBESVXMUTNAC-COXDATCZSA-N 1 3 327.900 2.440 10 0 EEAEHO CN(C/C=C\Cl)C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001437973766 1090565300 /nfs/dbraw/zinc/56/53/00/1090565300.db2.gz GYSRSCZWDVAVDW-FAOGRTBUSA-N 1 3 339.911 2.395 10 0 EEAEHO C[C@H](C[NH2+]Cc1cc2ccccc2o1)NC(=O)CN1CC[C@H](C)C1 ZINC001445434592 1091193302 /nfs/dbraw/zinc/19/33/02/1091193302.db2.gz LZAAEVFTAXXCQB-LSDHHAIUSA-N 1 3 329.444 2.369 10 0 EEAEHO C[C@@H](C[NH2+]C[C@@H]1CCCC(F)(F)C1)NC(=O)C1(N(C)C)CCC1 ZINC001445555949 1091328079 /nfs/dbraw/zinc/32/80/79/1091328079.db2.gz AIVKVFIEQZRNEE-UONOGXRCSA-N 1 3 331.451 2.391 10 0 EEAEHO Cc1ncccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001438760783 1091328324 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EEAEHO Cc1cncc(C[NH2+][C@H]2C[C@H](CNC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC001440362891 1093526953 /nfs/dbraw/zinc/52/69/53/1093526953.db2.gz PGVBLSNPTKNBNS-DWRORGKVSA-N 1 3 344.503 2.247 10 0 EEAEHO CN(CCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)Cc1cccnc1 ZINC001440469867 1093695993 /nfs/dbraw/zinc/69/59/93/1093695993.db2.gz SDRBOQCSOODCGM-MOPGFXCFSA-N 1 3 346.519 2.482 10 0 EEAEHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001440843677 1094100824 /nfs/dbraw/zinc/10/08/24/1094100824.db2.gz UZTPUKJTHDYSPT-QWHCGFSZSA-N 1 3 333.467 2.492 10 0 EEAEHO C[C@H](CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)NCc1ccnn1C ZINC001441556416 1095298910 /nfs/dbraw/zinc/29/89/10/1095298910.db2.gz LQWRXEPOHFOHTB-OAHLLOKOSA-N 1 3 349.523 2.010 10 0 EEAEHO C[C@H](CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1)NCc1ccnn1C ZINC001441556416 1095298922 /nfs/dbraw/zinc/29/89/22/1095298922.db2.gz LQWRXEPOHFOHTB-OAHLLOKOSA-N 1 3 349.523 2.010 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cccc2cccnc21 ZINC001441953391 1096153456 /nfs/dbraw/zinc/15/34/56/1096153456.db2.gz RHYLUJNXGVZYRA-JKSUJKDBSA-N 1 3 340.471 2.171 10 0 EEAEHO Cc1cnc(CN[C@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001442290118 1096604337 /nfs/dbraw/zinc/60/43/37/1096604337.db2.gz SOHIMVQIHAUWKG-CYBMUJFWSA-N 1 3 338.521 2.310 10 0 EEAEHO COc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001443080920 1097494160 /nfs/dbraw/zinc/49/41/60/1097494160.db2.gz QSVXBFDOKDNCOH-HZPDHXFCSA-N 1 3 333.476 2.146 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)C/C=C/Cl)C2)CC[N@@H+]1C ZINC001443319517 1097807912 /nfs/dbraw/zinc/80/79/12/1097807912.db2.gz FFELIAZCSDGLKV-ZPCLDPMFSA-N 1 3 327.900 2.250 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)C/C=C/Cl)C2)CC[N@H+]1C ZINC001443319517 1097807923 /nfs/dbraw/zinc/80/79/23/1097807923.db2.gz FFELIAZCSDGLKV-ZPCLDPMFSA-N 1 3 327.900 2.250 10 0 EEAEHO CC[C@@H](F)CN1CCC(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001444218626 1098778580 /nfs/dbraw/zinc/77/85/80/1098778580.db2.gz IMGNYWFTEKBWSF-MRXNPFEDSA-N 1 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ZINC001480492467 1100304531 /nfs/dbraw/zinc/30/45/31/1100304531.db2.gz KTKNSCDTTMMCCD-GDBMZVCRSA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1cc(CN[C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)sn1 ZINC001480492467 1100304538 /nfs/dbraw/zinc/30/45/38/1100304538.db2.gz KTKNSCDTTMMCCD-GDBMZVCRSA-N 1 3 338.521 2.166 10 0 EEAEHO CN(CC[N@H+](C)Cc1ccc2c(c1)CCC2)C(=O)CN1CCCC1 ZINC001445087077 1100304723 /nfs/dbraw/zinc/30/47/23/1100304723.db2.gz SGENIDQQKZZOSP-UHFFFAOYSA-N 1 3 329.488 2.161 10 0 EEAEHO CN(CC[N@@H+](C)Cc1ccc2c(c1)CCC2)C(=O)CN1CCCC1 ZINC001445087077 1100304730 /nfs/dbraw/zinc/30/47/30/1100304730.db2.gz SGENIDQQKZZOSP-UHFFFAOYSA-N 1 3 329.488 2.161 10 0 EEAEHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2cncc(F)c2)CCC1 ZINC001445111973 1100351434 /nfs/dbraw/zinc/35/14/34/1100351434.db2.gz IMKOEIXRTFOJRN-NVXWUHKLSA-N 1 3 348.466 2.080 10 0 EEAEHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2cncc(F)c2)CCC1 ZINC001445111946 1100351571 /nfs/dbraw/zinc/35/15/71/1100351571.db2.gz IMKOEIXRTFOJRN-DOTOQJQBSA-N 1 3 348.466 2.080 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2cncc(F)c2)CCC1 ZINC001445111992 1100352310 /nfs/dbraw/zinc/35/23/10/1100352310.db2.gz IMKOEIXRTFOJRN-WBVHZDCISA-N 1 3 348.466 2.080 10 0 EEAEHO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)NC/C=C\Cl ZINC001480541274 1100370379 /nfs/dbraw/zinc/37/03/79/1100370379.db2.gz VLVJEILWVIKMHR-HSPYSMEGSA-N 1 3 335.879 2.179 10 0 EEAEHO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)NC/C=C\Cl ZINC001480541274 1100370389 /nfs/dbraw/zinc/37/03/89/1100370389.db2.gz VLVJEILWVIKMHR-HSPYSMEGSA-N 1 3 335.879 2.179 10 0 EEAEHO Cc1cccnc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001446415622 1100825652 /nfs/dbraw/zinc/82/56/52/1100825652.db2.gz FJUBILQPDTXRGZ-DLBZAZTESA-N 1 3 332.492 2.199 10 0 EEAEHO Cc1ccncc1C[NH2+]C[C@H](CC(C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001496290616 1100875451 /nfs/dbraw/zinc/87/54/51/1100875451.db2.gz YNQYMEGLPZLCAL-LPHOPBHVSA-N 1 3 346.519 2.352 10 0 EEAEHO 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1102291083 /nfs/dbraw/zinc/29/10/83/1102291083.db2.gz RHSLQNPNVXIBEM-ZBFHGGJFSA-N 1 3 348.516 2.289 10 0 EEAEHO CCC1([NH2+]Cc2conc2C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001447427417 1102634236 /nfs/dbraw/zinc/63/42/36/1102634236.db2.gz KRCCFKGSTUZZRN-HNNXBMFYSA-N 1 3 348.491 2.186 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CCC1 ZINC001447752836 1103235920 /nfs/dbraw/zinc/23/59/20/1103235920.db2.gz VTNPZCYWNAXXOG-UYAOXDASSA-N 1 3 329.488 2.499 10 0 EEAEHO CC(C)[C@@H](CCN(C)C(=O)CN1CCCC1)[NH2+][C@@H](C)c1cnccn1 ZINC001448220217 1104203541 /nfs/dbraw/zinc/20/35/41/1104203541.db2.gz LMYQMCJVJULBCE-DLBZAZTESA-N 1 3 347.507 2.096 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1C[NH+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001494632268 1104215985 /nfs/dbraw/zinc/21/59/85/1104215985.db2.gz GURGZBGPHNVGER-QGZVFWFLSA-N 1 3 343.515 2.180 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCc2cccc(C)c2)C1)N(C)C ZINC001480623111 1106784968 /nfs/dbraw/zinc/78/49/68/1106784968.db2.gz PJZRWKUGXZYTQT-RBUKOAKNSA-N 1 3 331.504 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/nfs/dbraw/zinc/82/60/25/1107826025.db2.gz MJMIZKSZCFDOQD-UHFFFAOYSA-N 1 3 338.521 2.122 10 0 EEAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@H](NCc2ccc(F)cn2)C1 ZINC001479375660 1110688345 /nfs/dbraw/zinc/68/83/45/1110688345.db2.gz RYOVAWASTARQSP-WBAXXEDZSA-N 1 3 348.466 2.080 10 0 EEAEHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@H](NCc2ccc(F)cn2)C1 ZINC001479375660 1110688347 /nfs/dbraw/zinc/68/83/47/1110688347.db2.gz RYOVAWASTARQSP-WBAXXEDZSA-N 1 3 348.466 2.080 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([C@H]2CC[N@H+](CCCF)C2)CC1 ZINC001499477769 1112308507 /nfs/dbraw/zinc/30/85/07/1112308507.db2.gz HMQFAHRERQZXHJ-KRWDZBQOSA-N 1 3 327.488 2.247 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([C@H]2CC[N@@H+](CCCF)C2)CC1 ZINC001499477769 1112308512 /nfs/dbraw/zinc/30/85/12/1112308512.db2.gz HMQFAHRERQZXHJ-KRWDZBQOSA-N 1 3 327.488 2.247 10 0 EEAEHO C[C@H](C(=O)N[C@H](CNCCF)C1CCCC1)[NH+]1CCCCCC1 ZINC001500114657 1112623797 /nfs/dbraw/zinc/62/37/97/1112623797.db2.gz KVXWGVSTMSSJSG-NVXWUHKLSA-N 1 3 327.488 2.485 10 0 EEAEHO C[C@H](C(=O)N[C@H](C[NH2+]CCF)C1CCCC1)N1CCCCCC1 ZINC001500114657 1112623800 /nfs/dbraw/zinc/62/38/00/1112623800.db2.gz KVXWGVSTMSSJSG-NVXWUHKLSA-N 1 3 327.488 2.485 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CCCOC)C1 ZINC001500499126 1112890524 /nfs/dbraw/zinc/89/05/24/1112890524.db2.gz SEKIHCOHKQTXBH-HKUYNNGSSA-N 1 3 339.524 2.116 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CCCOC)C1 ZINC001500499126 1112890528 /nfs/dbraw/zinc/89/05/28/1112890528.db2.gz SEKIHCOHKQTXBH-HKUYNNGSSA-N 1 3 339.524 2.116 10 0 EEAEHO CC(C)CCC[NH2+]C(C)C1CCN(C(=O)c2nc3ncccn3n2)C1 ZINC001501075941 1113190174 /nfs/dbraw/zinc/19/01/74/1113190174.db2.gz KBKKXFGVKHWJDK-GJZGRUSLSA-N 1 3 344.463 2.001 10 0 EEAEHO O=C(NCC1(NC/C=C/Cl)CCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001502008761 1113557016 /nfs/dbraw/zinc/55/70/16/1113557016.db2.gz PZGXJPLCHHZQNG-GAWCXUJUSA-N 1 3 325.884 2.384 10 0 EEAEHO O=C(NCC1(NC/C=C/Cl)CCC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001502008761 1113557019 /nfs/dbraw/zinc/55/70/19/1113557019.db2.gz PZGXJPLCHHZQNG-GAWCXUJUSA-N 1 3 325.884 2.384 10 0 EEAEHO COc1ccc(CN2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C)cc1C ZINC001502986350 1113867604 /nfs/dbraw/zinc/86/76/04/1113867604.db2.gz KKDCOVPUMJIAFO-SJLPKXTDSA-N 1 3 347.503 2.424 10 0 EEAEHO CCCCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001503723503 1113903424 /nfs/dbraw/zinc/90/34/24/1113903424.db2.gz LFOQBIKNZNOMDF-QGZVFWFLSA-N 1 3 339.524 2.210 10 0 EEAEHO CCCCC[N@H+]1CCOC2(CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001503723503 1113903425 /nfs/dbraw/zinc/90/34/25/1113903425.db2.gz LFOQBIKNZNOMDF-QGZVFWFLSA-N 1 3 339.524 2.210 10 0 EEAEHO Cc1ccc(F)c(C[NH2+]CC2CC(NC(=O)CN(C)C(C)C)C2)c1 ZINC001505537767 1114039421 /nfs/dbraw/zinc/03/94/21/1114039421.db2.gz LKQHRCVYZPEEDW-UHFFFAOYSA-N 1 3 335.467 2.459 10 0 EEAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1[C@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC001506793858 1114884319 /nfs/dbraw/zinc/88/43/19/1114884319.db2.gz OIRVGBOBZPWNLE-ZQDZILKHSA-N 1 3 347.425 2.107 10 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/nfs/dbraw/zinc/00/09/85/1125000985.db2.gz WMVWHPVORXLKKX-UPHRSURJSA-N 1 3 338.455 2.093 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C\C[NH2+][C@@H]1CCCc2ccccc21 ZINC001568964811 1125002149 /nfs/dbraw/zinc/00/21/49/1125002149.db2.gz XOEKTOCCZUDRQQ-ZRHASKPBSA-N 1 3 327.472 2.422 10 0 EEAEHO Cc1ccc(C)c(OCC[NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001568997030 1125029599 /nfs/dbraw/zinc/02/95/99/1125029599.db2.gz DIDLDUFZCFWITK-QGZVFWFLSA-N 1 3 347.503 2.261 10 0 EEAEHO C[C@@H]1[C@H](C(=O)N(C)CCCNCc2cccc(Cl)n2)CC[N@@H+]1C ZINC001569203050 1125161913 /nfs/dbraw/zinc/16/19/13/1125161913.db2.gz NVXHNDFWMUNTFP-UKRRQHHQSA-N 1 3 338.883 2.013 10 0 EEAEHO C[C@@H]1[C@H](C(=O)N(C)CCCNCc2cccc(Cl)n2)CC[N@H+]1C ZINC001569203050 1125161917 /nfs/dbraw/zinc/16/19/17/1125161917.db2.gz NVXHNDFWMUNTFP-UKRRQHHQSA-N 1 3 338.883 2.013 10 0 EEAEHO Cc1cnc(CNCCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)s1 ZINC001569268999 1125208558 /nfs/dbraw/zinc/20/85/58/1125208558.db2.gz OQSKVOPXDQLIEC-ZIAGYGMSSA-N 1 3 338.521 2.262 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@H]1c1ccccc1 ZINC000416031164 283127457 /nfs/dbraw/zinc/12/74/57/283127457.db2.gz OBGUMWXLPNPPGN-BFHYXJOUSA-N 1 3 344.381 2.011 10 0 EEAEHO CC(C)N1CCN([C@@H](C[NH3+])c2cccc(Br)c2)CC1 ZINC000036170804 213074665 /nfs/dbraw/zinc/07/46/65/213074665.db2.gz NJBFNOPPTLPHKE-HNNXBMFYSA-N 1 3 326.282 2.475 10 0 EEAEHO CC(C)N1CCN([C@H](C[NH3+])c2cccc(Br)c2)CC1 ZINC000036170805 213073889 /nfs/dbraw/zinc/07/38/89/213073889.db2.gz NJBFNOPPTLPHKE-OAHLLOKOSA-N 1 3 326.282 2.475 10 0 EEAEHO COc1c(C)cnc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000072267443 216086675 /nfs/dbraw/zinc/08/66/75/216086675.db2.gz SLBFYSGSYQSJAE-OAHLLOKOSA-N 1 3 335.492 2.232 10 0 EEAEHO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3CN)C2)c1 ZINC000422879598 240270580 /nfs/dbraw/zinc/27/05/80/240270580.db2.gz VPKAERQLBBWDLD-ZRGWGRIASA-N 1 3 333.476 2.247 10 0 EEAEHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000079733854 217251561 /nfs/dbraw/zinc/25/15/61/217251561.db2.gz WOHARVNLEFVULH-IEBWSBKVSA-N 1 3 346.519 2.333 10 0 EEAEHO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415065747 532973423 /nfs/dbraw/zinc/97/34/23/532973423.db2.gz HNGGZTHTOUJVSL-ZIAGYGMSSA-N 1 3 336.505 2.135 10 0 EEAEHO COc1cc(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCCN(C)C ZINC000416331788 533013397 /nfs/dbraw/zinc/01/33/97/533013397.db2.gz DNTNSSFFSWTGQV-GJZGRUSLSA-N 1 3 349.475 2.304 10 0 EEAEHO COc1cc(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCCN(C)C ZINC000416331788 533013400 /nfs/dbraw/zinc/01/34/00/533013400.db2.gz DNTNSSFFSWTGQV-GJZGRUSLSA-N 1 3 349.475 2.304 10 0 EEAEHO CCNC(=O)N1CC[C@H](N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000272854695 256244038 /nfs/dbraw/zinc/24/40/38/256244038.db2.gz TVAWWTTVEFONCP-WDSOQIARSA-N 1 3 344.503 2.290 10 0 EEAEHO CCNC(=O)N1CC[C@H](N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000272854695 256244040 /nfs/dbraw/zinc/24/40/40/256244040.db2.gz TVAWWTTVEFONCP-WDSOQIARSA-N 1 3 344.503 2.290 10 0 EEAEHO CN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CCN(C2CC2)C1 ZINC000342509685 161070609 /nfs/dbraw/zinc/07/06/09/161070609.db2.gz MVOPCUNTLIAGIH-IBGZPJMESA-N 1 3 344.503 2.169 10 0 EEAEHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CN(C)C[C@H]3C)CC2)c1 ZINC000343190487 161111797 /nfs/dbraw/zinc/11/17/97/161111797.db2.gz FPIGKQIMHHSTST-TZIWHRDSSA-N 1 3 344.547 2.437 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000354979324 163039604 /nfs/dbraw/zinc/03/96/04/163039604.db2.gz LEPPGVRKGLAKSO-NEWSRXKRSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000354979324 163039606 /nfs/dbraw/zinc/03/96/06/163039606.db2.gz LEPPGVRKGLAKSO-NEWSRXKRSA-N 1 3 344.503 2.385 10 0 EEAEHO CC[C@H]1C[C@H](C[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CCO1 ZINC000355681407 163268185 /nfs/dbraw/zinc/26/81/85/163268185.db2.gz ZDLIRFHNZQGQRK-MJGOQNOKSA-N 1 3 347.503 2.273 10 0 EEAEHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN3CCC2CC3)C1 ZINC000375175503 167083792 /nfs/dbraw/zinc/08/37/92/167083792.db2.gz SCSUEZMBIJLKBN-MRXNPFEDSA-N 1 3 336.524 2.377 10 0 EEAEHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN3CCC2CC3)C1 ZINC000375175503 167083794 /nfs/dbraw/zinc/08/37/94/167083794.db2.gz SCSUEZMBIJLKBN-MRXNPFEDSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@H](NC(=O)NC[C@@H]1CCCN1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272392640 274170148 /nfs/dbraw/zinc/17/01/48/274170148.db2.gz JMIZSEYEGGZFLK-UHOSZYNNSA-N 1 3 344.503 2.290 10 0 EEAEHO C[C@H](NC(=O)NC[C@@H]1CCCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272392640 274170149 /nfs/dbraw/zinc/17/01/49/274170149.db2.gz JMIZSEYEGGZFLK-UHOSZYNNSA-N 1 3 344.503 2.290 10 0 EEAEHO CN(CCCN(C)Cc1ccnn1-c1ccccc1)CC[NH+](C)C ZINC000290288504 275195301 /nfs/dbraw/zinc/19/53/01/275195301.db2.gz ZYQFXZRXIWFDAF-UHFFFAOYSA-N 1 3 329.492 2.188 10 0 EEAEHO CC(C)[C@@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)[NH+]1CCC(C)CC1 ZINC000173824034 277740158 /nfs/dbraw/zinc/74/01/58/277740158.db2.gz PFGKZYUHTSMXAM-RTBURBONSA-N 1 3 348.535 2.399 10 0 EEAEHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]C[C@H]2C)c(OC)c1 ZINC000414939057 313113360 /nfs/dbraw/zinc/11/33/60/313113360.db2.gz JCGUVJDOHOQTKA-IPYPFGDCSA-N 1 3 335.448 2.009 10 0 EEAEHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCNC[C@H]2C)c(OC)c1 ZINC000414939057 313113362 /nfs/dbraw/zinc/11/33/62/313113362.db2.gz JCGUVJDOHOQTKA-IPYPFGDCSA-N 1 3 335.448 2.009 10 0 EEAEHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417042045 313405292 /nfs/dbraw/zinc/40/52/92/313405292.db2.gz WGXHBAIZGPWQNT-GUDVDZBRSA-N 1 3 342.487 2.217 10 0 EEAEHO CN(C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H]1CCN(C2CC2)C1 ZINC000563610047 319029805 /nfs/dbraw/zinc/02/98/05/319029805.db2.gz XNGIBUBPLWSCPR-INIMBPLVSA-N 1 3 346.519 2.018 10 0 EEAEHO CN(C)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)Cc1ccccc1 ZINC000570233756 319647959 /nfs/dbraw/zinc/64/79/59/319647959.db2.gz MKNQPFNQOREEHA-HCXYKTFWSA-N 1 3 329.488 2.196 10 0 EEAEHO COc1ccccc1COC[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000576979510 320221809 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10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N(C)CCCN(C)Cc2ccncc2)CC[N@H+]1C ZINC000552112447 468308584 /nfs/dbraw/zinc/30/85/84/468308584.db2.gz BWNOKZXLEJUZRW-WMZOPIPTSA-N 1 3 332.492 2.092 10 0 EEAEHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CCCN(C)C3)C2)CC1 ZINC000590859851 468359024 /nfs/dbraw/zinc/35/90/24/468359024.db2.gz TWRYVTSOSSGPQB-ROUUACIJSA-N 1 3 336.524 2.234 10 0 EEAEHO C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000057825518 463521003 /nfs/dbraw/zinc/52/10/03/463521003.db2.gz LJWNXLVYCJMWSX-QZTJIDSGSA-N 1 3 330.476 2.044 10 0 EEAEHO C[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000057825518 463521007 /nfs/dbraw/zinc/52/10/07/463521007.db2.gz LJWNXLVYCJMWSX-QZTJIDSGSA-N 1 3 330.476 2.044 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)[C@H]([NH3+])C2CCOCC2)N2CCCC2)cc1 ZINC000261626907 463806899 /nfs/dbraw/zinc/80/68/99/463806899.db2.gz CPCUZQCXWHOORA-RBUKOAKNSA-N 1 3 345.487 2.002 10 0 EEAEHO CN(CCC[NH+](C)C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000185490218 463832558 /nfs/dbraw/zinc/83/25/58/463832558.db2.gz UIIQLUCCXBIFTO-SFHVURJKSA-N 1 3 332.492 2.244 10 0 EEAEHO c1nn(-c2ccccc2)cc1CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261961644 463910865 /nfs/dbraw/zinc/91/08/65/463910865.db2.gz PRMGFPACXHQTHI-IPMKNSEASA-N 1 3 326.444 2.119 10 0 EEAEHO CCc1cccc(F)c1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261991272 463920256 /nfs/dbraw/zinc/92/02/56/463920256.db2.gz SJPATFJMMKZEBT-DNVCBOLYSA-N 1 3 347.478 2.468 10 0 EEAEHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000338003314 465742148 /nfs/dbraw/zinc/74/21/48/465742148.db2.gz VOIJXULLUDBQIX-AABGKKOBSA-N 1 3 343.515 2.444 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc2c[nH]nc2c1 ZINC000349060048 465945779 /nfs/dbraw/zinc/94/57/79/465945779.db2.gz DVDQIEWFTGWZRO-GOSISDBHSA-N 1 3 329.492 2.411 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc2c[nH]nc2c1 ZINC000349060048 465945787 /nfs/dbraw/zinc/94/57/87/465945787.db2.gz DVDQIEWFTGWZRO-GOSISDBHSA-N 1 3 329.492 2.411 10 0 EEAEHO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000361890734 466384069 /nfs/dbraw/zinc/38/40/69/466384069.db2.gz UWTGPOFWSGINIO-CYBMUJFWSA-N 1 3 349.866 2.028 10 0 EEAEHO C[C@H]1C[C@H]1N1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000358187663 466524349 /nfs/dbraw/zinc/52/43/49/466524349.db2.gz ZPACHXDTTUCEEO-GRLGQGAKSA-N 1 3 341.499 2.496 10 0 EEAEHO C[C@H]1C[C@H]1N1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000358187663 466524357 /nfs/dbraw/zinc/52/43/57/466524357.db2.gz ZPACHXDTTUCEEO-GRLGQGAKSA-N 1 3 341.499 2.496 10 0 EEAEHO CC[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(OC)cc1 ZINC000341046243 466538743 /nfs/dbraw/zinc/53/87/43/466538743.db2.gz ANUIMFIKVRDVBL-IBGZPJMESA-N 1 3 345.487 2.479 10 0 EEAEHO C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000368428984 466633715 /nfs/dbraw/zinc/63/37/15/466633715.db2.gz KFXUJLVUYSTMKI-BVYOLEPJSA-N 1 3 345.487 2.287 10 0 EEAEHO O=C(Nc1ccc2c(c1F)CCNC2)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000415954959 466716993 /nfs/dbraw/zinc/71/69/93/466716993.db2.gz LJUZBUCWUKTRDB-KGLIPLIRSA-N 1 3 332.423 2.220 10 0 EEAEHO O=C(Nc1ccc2c(c1F)CCNC2)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000415954959 466716998 /nfs/dbraw/zinc/71/69/98/466716998.db2.gz LJUZBUCWUKTRDB-KGLIPLIRSA-N 1 3 332.423 2.220 10 0 EEAEHO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1=CCN(C)CC1 ZINC000374734140 466728485 /nfs/dbraw/zinc/72/84/85/466728485.db2.gz NUPGMEDWOLVYFE-MRXNPFEDSA-N 1 3 334.508 2.154 10 0 EEAEHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417666112 466903709 /nfs/dbraw/zinc/90/37/09/466903709.db2.gz FCMWEKFWNMMGTH-GBESFXJTSA-N 1 3 342.487 2.044 10 0 EEAEHO CN(C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417945250 466997646 /nfs/dbraw/zinc/99/76/46/466997646.db2.gz QPOIKNIHRYXQPI-JKHFOPOESA-N 1 3 342.487 2.356 10 0 EEAEHO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418038785 467030818 /nfs/dbraw/zinc/03/08/18/467030818.db2.gz FWLGEUIVPDANEY-PKOBYXMFSA-N 1 3 332.492 2.324 10 0 EEAEHO CCN(C(=O)NC[C@H](C)C[NH3+])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418462763 467114892 /nfs/dbraw/zinc/11/48/92/467114892.db2.gz BUDKBLIUUIXYSY-NUJGCVRESA-N 1 3 332.492 2.448 10 0 EEAEHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000418550565 467127166 /nfs/dbraw/zinc/12/71/66/467127166.db2.gz HUCCJJUKSBSORS-KBXCAEBGSA-N 1 3 330.476 2.162 10 0 EEAEHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000418550565 467127170 /nfs/dbraw/zinc/12/71/70/467127170.db2.gz HUCCJJUKSBSORS-KBXCAEBGSA-N 1 3 330.476 2.162 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000418550567 467127600 /nfs/dbraw/zinc/12/76/00/467127600.db2.gz HUCCJJUKSBSORS-KSSFIOAISA-N 1 3 330.476 2.162 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000418550567 467127601 /nfs/dbraw/zinc/12/76/01/467127601.db2.gz HUCCJJUKSBSORS-KSSFIOAISA-N 1 3 330.476 2.162 10 0 EEAEHO 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/nfs/dbraw/zinc/20/06/07/467200607.db2.gz NMCGOUIXUFEXKN-KRWDZBQOSA-N 1 3 332.492 2.475 10 0 EEAEHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@H]1CCNC[C@@H]1C ZINC000414946592 467456802 /nfs/dbraw/zinc/45/68/02/467456802.db2.gz UEHGHPXHVOIXQF-FZMZJTMJSA-N 1 3 332.400 2.316 10 0 EEAEHO NCc1cn([C@H]2CCC[N@H+](CCCCOc3ccccc3)C2)nn1 ZINC000415100878 467489798 /nfs/dbraw/zinc/48/97/98/467489798.db2.gz ARUSDEGRUTVKSG-KRWDZBQOSA-N 1 3 329.448 2.233 10 0 EEAEHO NCc1cn([C@H]2CCC[N@@H+](CCCCOc3ccccc3)C2)nn1 ZINC000415100878 467489802 /nfs/dbraw/zinc/48/98/02/467489802.db2.gz ARUSDEGRUTVKSG-KRWDZBQOSA-N 1 3 329.448 2.233 10 0 EEAEHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(N)CCOCC2)c2ccccc21 ZINC000600706478 468627116 /nfs/dbraw/zinc/62/71/16/468627116.db2.gz FCCQVOKMIITOMB-IAGOWNOFSA-N 1 3 332.444 2.266 10 0 EEAEHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000583554671 468714464 /nfs/dbraw/zinc/71/44/64/468714464.db2.gz GAARQXCJCQGUEC-FUHWJXTLSA-N 1 3 344.503 2.338 10 0 EEAEHO c1c[nH]c([C@@H](NC2CCC([NH+]3CCNCC3)CC2)c2ccccc2)n1 ZINC000572112118 468886122 /nfs/dbraw/zinc/88/61/22/468886122.db2.gz FVJCVQOAXAUPPX-ACBHZAAOSA-N 1 3 339.487 2.305 10 0 EEAEHO c1c[nH]c([C@@H](NC2CCC(N3CC[NH2+]CC3)CC2)c2ccccc2)n1 ZINC000572112118 468886124 /nfs/dbraw/zinc/88/61/24/468886124.db2.gz FVJCVQOAXAUPPX-ACBHZAAOSA-N 1 3 339.487 2.305 10 0 EEAEHO CCOC(=O)c1nn(-c2ccccc2)cc1CNCCC1(C[NH3+])CC1 ZINC000593316272 468936581 /nfs/dbraw/zinc/93/65/81/468936581.db2.gz ODZSZYFONWFVNF-UHFFFAOYSA-N 1 3 342.443 2.268 10 0 EEAEHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)c2)CC1 ZINC000625879033 469422686 /nfs/dbraw/zinc/42/26/86/469422686.db2.gz DNRUDFMNOKSVPX-WBVHZDCISA-N 1 3 345.491 2.091 10 0 EEAEHO CN1CCC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000604789371 469513532 /nfs/dbraw/zinc/51/35/32/469513532.db2.gz YPEGJEJLBGOHAU-WMZOPIPTSA-N 1 3 333.451 2.248 10 0 EEAEHO CN1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000604789371 469513537 /nfs/dbraw/zinc/51/35/37/469513537.db2.gz YPEGJEJLBGOHAU-WMZOPIPTSA-N 1 3 333.451 2.248 10 0 EEAEHO CSc1cc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)o1 ZINC000617503235 469701895 /nfs/dbraw/zinc/70/18/95/469701895.db2.gz AIWDBJCELTXKNX-ZDUSSCGKSA-N 1 3 327.494 2.312 10 0 EEAEHO CSc1cc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)o1 ZINC000617503235 469701898 /nfs/dbraw/zinc/70/18/98/469701898.db2.gz AIWDBJCELTXKNX-ZDUSSCGKSA-N 1 3 327.494 2.312 10 0 EEAEHO Cc1nc2ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc2o1 ZINC000617507372 469705600 /nfs/dbraw/zinc/70/56/00/469705600.db2.gz UEGBNWJYMPJRSI-ZDUSSCGKSA-N 1 3 332.448 2.138 10 0 EEAEHO Cc1nc2ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc2o1 ZINC000617507372 469705607 /nfs/dbraw/zinc/70/56/07/469705607.db2.gz UEGBNWJYMPJRSI-ZDUSSCGKSA-N 1 3 332.448 2.138 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)[C@@H]1c1ccccc1 ZINC000627006658 469787561 /nfs/dbraw/zinc/78/75/61/469787561.db2.gz ZBLDVHDWHWMGGD-BWPNAZKDSA-N 1 3 342.487 2.073 10 0 EEAEHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627133785 469820840 /nfs/dbraw/zinc/82/08/40/469820840.db2.gz SGNFUYMOXOGPJB-KRWDZBQOSA-N 1 3 348.466 2.184 10 0 EEAEHO Cc1ccccc1-n1cc(CNCCN2CCC([NH+](C)C)CC2)cn1 ZINC000647189704 470852947 /nfs/dbraw/zinc/85/29/47/470852947.db2.gz KBVRPEVHFSHWCH-UHFFFAOYSA-N 1 3 341.503 2.296 10 0 EEAEHO O=C(NC1CC([NH+]2CCCCC2)C1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654551654 471067878 /nfs/dbraw/zinc/06/78/78/471067878.db2.gz UWVIZSKDQAHHOY-OPQOLIRYSA-N 1 3 334.508 2.319 10 0 EEAEHO CCN(CC)[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)c1ccccc1 ZINC000652119441 471239064 /nfs/dbraw/zinc/23/90/64/471239064.db2.gz DUNKNPVQQUFSBR-KRWDZBQOSA-N 1 3 332.492 2.498 10 0 EEAEHO CO[C@@H](CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@H]1CCOC1 ZINC000660447416 471345679 /nfs/dbraw/zinc/34/56/79/471345679.db2.gz JZIRLBVBBFBEOW-HAGHYFMRSA-N 1 3 330.472 2.102 10 0 EEAEHO CO[C@@H](CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)[C@H]1CCOC1 ZINC000660447416 471345683 /nfs/dbraw/zinc/34/56/83/471345683.db2.gz JZIRLBVBBFBEOW-HAGHYFMRSA-N 1 3 330.472 2.102 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)N(C)CC2CN(C)C2)[NH+](C)C)cc1 ZINC000663447095 471382534 /nfs/dbraw/zinc/38/25/34/471382534.db2.gz CDXPKHRLPUQZIG-SFHVURJKSA-N 1 3 332.492 2.055 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000669420566 471489671 /nfs/dbraw/zinc/48/96/71/471489671.db2.gz QNHXRKQGXPTBTA-BHIYHBOVSA-N 1 3 344.503 2.196 10 0 EEAEHO CN(CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)Cc1ccccc1 ZINC000653106656 471490396 /nfs/dbraw/zinc/49/03/96/471490396.db2.gz HOGQNDYOPSQGRV-HUUCEWRRSA-N 1 3 343.393 2.023 10 0 EEAEHO [NH3+][C@@H](CC(=O)Nc1ccc([C@H]2CNCCO2)cc1)c1ccccc1 ZINC000659371078 471596690 /nfs/dbraw/zinc/59/66/90/471596690.db2.gz YNQDXFUVIXIFAR-ZWKOTPCHSA-N 1 3 325.412 2.376 10 0 EEAEHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000659457079 471636579 /nfs/dbraw/zinc/63/65/79/471636579.db2.gz XXDDNDCGKOVMIT-BMGDILEWSA-N 1 3 348.466 2.293 10 0 EEAEHO C[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656269388 471660898 /nfs/dbraw/zinc/66/08/98/471660898.db2.gz PSTXDUDOQZHEPX-ZACQAIPSSA-N 1 3 332.492 2.138 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(F)c(F)c1 ZINC000664315105 471715034 /nfs/dbraw/zinc/71/50/34/471715034.db2.gz RIOYEKXMGVZNGE-LBPRGKRZSA-N 1 3 328.407 2.358 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(F)c(F)c1 ZINC000664315105 471715041 /nfs/dbraw/zinc/71/50/41/471715041.db2.gz RIOYEKXMGVZNGE-LBPRGKRZSA-N 1 3 328.407 2.358 10 0 EEAEHO c1c(C[C@H]2CCC[NH2+]C2)nnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000656455427 471722627 /nfs/dbraw/zinc/72/26/27/471722627.db2.gz GVADZSUBEFOZHC-MJGOQNOKSA-N 1 3 325.460 2.267 10 0 EEAEHO CCN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CCN(CC)C1 ZINC000664727868 471845922 /nfs/dbraw/zinc/84/59/22/471845922.db2.gz RSPRFBMCUXGETE-IBGZPJMESA-N 1 3 346.519 2.416 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1CCC(F)CC1 ZINC000665212575 471970390 /nfs/dbraw/zinc/97/03/90/471970390.db2.gz AWDROCHMXACOKQ-FHERZECASA-N 1 3 330.492 2.086 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1CCC(F)CC1 ZINC000665212575 471970393 /nfs/dbraw/zinc/97/03/93/471970393.db2.gz AWDROCHMXACOKQ-FHERZECASA-N 1 3 330.492 2.086 10 0 EEAEHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000665367491 472022244 /nfs/dbraw/zinc/02/22/44/472022244.db2.gz YQVQZIJPIKGJMX-QGZVFWFLSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)c1ccncc1 ZINC000665640118 472120634 /nfs/dbraw/zinc/12/06/34/472120634.db2.gz NVGAPSYYQWGLMU-HOTGVXAUSA-N 1 3 335.496 2.056 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)c1ccncc1 ZINC000665640118 472120637 /nfs/dbraw/zinc/12/06/37/472120637.db2.gz NVGAPSYYQWGLMU-HOTGVXAUSA-N 1 3 335.496 2.056 10 0 EEAEHO CC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665759075 472174123 /nfs/dbraw/zinc/17/41/23/472174123.db2.gz YOTNQECNBXRQKT-DLBZAZTESA-N 1 3 326.529 2.480 10 0 EEAEHO CC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665759075 472174128 /nfs/dbraw/zinc/17/41/28/472174128.db2.gz YOTNQECNBXRQKT-DLBZAZTESA-N 1 3 326.529 2.480 10 0 EEAEHO C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530027077 485532566 /nfs/dbraw/zinc/53/25/66/485532566.db2.gz WPTCCHGVIASNNY-QGZVFWFLSA-N 1 3 345.487 2.374 10 0 EEAEHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000676647895 486272410 /nfs/dbraw/zinc/27/24/10/486272410.db2.gz LEYGKPFOOWAMBL-CRAIPNDOSA-N 1 3 345.491 2.000 10 0 EEAEHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000676647895 486272415 /nfs/dbraw/zinc/27/24/15/486272415.db2.gz LEYGKPFOOWAMBL-CRAIPNDOSA-N 1 3 345.491 2.000 10 0 EEAEHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000676647895 486272420 /nfs/dbraw/zinc/27/24/20/486272420.db2.gz LEYGKPFOOWAMBL-CRAIPNDOSA-N 1 3 345.491 2.000 10 0 EEAEHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000451374068 535158156 /nfs/dbraw/zinc/15/81/56/535158156.db2.gz SMMGOMHMCVXRTR-JMVFIXPQSA-N 1 3 331.504 2.119 10 0 EEAEHO CC[NH+](CC)Cc1cccc(CN[C@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000422691903 535608969 /nfs/dbraw/zinc/60/89/69/535608969.db2.gz JCNBGVMZJNMSKR-WOJBJXKFSA-N 1 3 331.504 2.385 10 0 EEAEHO C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CN(Cc2ccccc2)C1 ZINC001485508995 1191819656 /nfs/dbraw/zinc/81/96/56/1191819656.db2.gz GFSCBISQFBWZEF-VQIMIIECSA-N 1 3 329.488 2.498 10 0 EEAEHO C[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CN(Cc2ccccc2)C1 ZINC001485508995 1191819658 /nfs/dbraw/zinc/81/96/58/1191819658.db2.gz GFSCBISQFBWZEF-VQIMIIECSA-N 1 3 329.488 2.498 10 0 EEAEHO Cc1noc(C)c1CNCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485722649 1191909856 /nfs/dbraw/zinc/90/98/56/1191909856.db2.gz OMCSDBOGBKAJJY-XNRPHZJLSA-N 1 3 336.480 2.006 10 0 EEAEHO Cc1noc(C)c1CNCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485722649 1191909858 /nfs/dbraw/zinc/90/98/58/1191909858.db2.gz OMCSDBOGBKAJJY-XNRPHZJLSA-N 1 3 336.480 2.006 10 0 EEAEHO C[C@@H](CCC[NH2+]Cc1cncc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001485724227 1191910915 /nfs/dbraw/zinc/91/09/15/1191910915.db2.gz MUANEJYDGGAHLY-AWEZNQCLSA-N 1 3 336.455 2.080 10 0 EEAEHO COCCCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001266336261 1176324183 /nfs/dbraw/zinc/32/41/83/1176324183.db2.gz MFSFWJIGHWGSBM-WMZOPIPTSA-N 1 3 337.508 2.011 10 0 EEAEHO COCCCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001266336261 1176324199 /nfs/dbraw/zinc/32/41/99/1176324199.db2.gz MFSFWJIGHWGSBM-WMZOPIPTSA-N 1 3 337.508 2.011 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCCc2ccc(C)cc2)C1 ZINC001266562032 1176850337 /nfs/dbraw/zinc/85/03/37/1176850337.db2.gz MPGXHHDLKHIOSY-IBGZPJMESA-N 1 3 331.504 2.460 10 0 EEAEHO Cc1cccnc1CNCCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001267437831 1179010972 /nfs/dbraw/zinc/01/09/72/1179010972.db2.gz YTPFZYCEAHNCFS-GOSISDBHSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1cccnc1CNCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001267437831 1179010979 /nfs/dbraw/zinc/01/09/79/1179010979.db2.gz YTPFZYCEAHNCFS-GOSISDBHSA-N 1 3 332.492 2.201 10 0 EEAEHO CC[N@H+](C)[C@@H](C(=O)N(C)CCNCc1cnc(C)o1)c1ccccc1 ZINC001267454158 1179033438 /nfs/dbraw/zinc/03/34/38/1179033438.db2.gz VSVNUTMJSCQWMC-GOSISDBHSA-N 1 3 344.459 2.224 10 0 EEAEHO CC[N@@H+](C)[C@@H](C(=O)N(C)CCNCc1cnc(C)o1)c1ccccc1 ZINC001267454158 1179033447 /nfs/dbraw/zinc/03/34/47/1179033447.db2.gz VSVNUTMJSCQWMC-GOSISDBHSA-N 1 3 344.459 2.224 10 0 EEAEHO Cc1ccc(OCC[NH2+]C[C@H]2CCCN2C(=O)CN(C)C(C)C)cc1 ZINC001267971059 1180877116 /nfs/dbraw/zinc/87/71/16/1180877116.db2.gz YMSVSTRRPLWIDG-GOSISDBHSA-N 1 3 347.503 2.295 10 0 EEAEHO CC(C)OCCCN1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481696739 1182230680 /nfs/dbraw/zinc/23/06/80/1182230680.db2.gz STTRGXWDGXLVGA-ROUUACIJSA-N 1 3 339.524 2.112 10 0 EEAEHO CCN(CCNCc1cccnc1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268458718 1182739838 /nfs/dbraw/zinc/73/98/38/1182739838.db2.gz QPXJOFWECMEKPK-QZTJIDSGSA-N 1 3 330.476 2.037 10 0 EEAEHO CCN(CCNCc1cccnc1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001268458718 1182739842 /nfs/dbraw/zinc/73/98/42/1182739842.db2.gz QPXJOFWECMEKPK-QZTJIDSGSA-N 1 3 330.476 2.037 10 0 EEAEHO CCc1ccc(CC[NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001268691460 1183615217 /nfs/dbraw/zinc/61/52/17/1183615217.db2.gz ZUOHYTRUKIAZNS-INIZCTEOSA-N 1 3 331.504 2.370 10 0 EEAEHO CN(CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]C/C=C/Cl)C1CCC1 ZINC001268763971 1183679240 /nfs/dbraw/zinc/67/92/40/1183679240.db2.gz GCWGJSQQKKPHDU-IDSFCPPLSA-N 1 3 327.900 2.488 10 0 EEAEHO CC[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCOC(C)C ZINC001269472173 1184292380 /nfs/dbraw/zinc/29/23/80/1184292380.db2.gz WMEYPWVIVIDFPA-CRAIPNDOSA-N 1 3 345.503 2.108 10 0 EEAEHO Cc1ncc(CNCC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC001269738597 1184576685 /nfs/dbraw/zinc/57/66/85/1184576685.db2.gz UAPZDHVDEXCBBN-UWWQBHOKSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1ncc(CNCC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC001269738597 1184576692 /nfs/dbraw/zinc/57/66/92/1184576692.db2.gz UAPZDHVDEXCBBN-UWWQBHOKSA-N 1 3 348.491 2.042 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCC(F)(F)F ZINC001482445995 1185760071 /nfs/dbraw/zinc/76/00/71/1185760071.db2.gz NCFUWWWPIQUVGV-KBPBESRZSA-N 1 3 335.414 2.394 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C\C[NH2+]Cc1cccc(C(F)F)c1 ZINC001483093148 1188461142 /nfs/dbraw/zinc/46/11/42/1188461142.db2.gz NTBXIGGCHTUMGR-UPHRSURJSA-N 1 3 337.414 2.482 10 0 EEAEHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc3c(c2)COC3)C1)N(C)C ZINC001409300035 1188621343 /nfs/dbraw/zinc/62/13/43/1188621343.db2.gz WUISKPMMTGEGPU-PPSBMQLTSA-N 1 3 345.487 2.041 10 0 EEAEHO C[C@@H](CCNCc1nccn1C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001272872504 1193587297 /nfs/dbraw/zinc/58/72/97/1193587297.db2.gz AOFCFHWZSHFROC-HNNXBMFYSA-N 1 3 349.523 2.058 10 0 EEAEHO C[C@@H](CCNCc1nccn1C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001272872504 1193587298 /nfs/dbraw/zinc/58/72/98/1193587298.db2.gz AOFCFHWZSHFROC-HNNXBMFYSA-N 1 3 349.523 2.058 10 0 EEAEHO COc1cc(Cl)ccc1CN[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001485919170 1193639789 /nfs/dbraw/zinc/63/97/89/1193639789.db2.gz LJYSCBDPPBEHRY-ZDUSSCGKSA-N 1 3 341.883 2.237 10 0 EEAEHO C[C@@H](CNCc1ccns1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001483235493 1189982342 /nfs/dbraw/zinc/98/23/42/1189982342.db2.gz SOROVDYPDKXJHL-BBRMVZONSA-N 1 3 336.505 2.144 10 0 EEAEHO C[C@@H](CNCc1ccns1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001483235493 1189982344 /nfs/dbraw/zinc/98/23/44/1189982344.db2.gz SOROVDYPDKXJHL-BBRMVZONSA-N 1 3 336.505 2.144 10 0 EEAEHO Cc1ccncc1C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001483448892 1190483595 /nfs/dbraw/zinc/48/35/95/1190483595.db2.gz YIVFJFPHKRSBQW-PKOBYXMFSA-N 1 3 346.519 2.495 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1cnc(Cl)s1)N(C)C ZINC001483471049 1190493645 /nfs/dbraw/zinc/49/36/45/1190493645.db2.gz LKANTCVCUJGZBM-ZDUSSCGKSA-N 1 3 346.928 2.321 10 0 EEAEHO Cc1nc(CNCCCN(C)C(=O)C2CC[NH+](C)CC2)c(C)s1 ZINC001483489534 1190508694 /nfs/dbraw/zinc/50/86/94/1190508694.db2.gz CPDIVTOIYXVPFD-UHFFFAOYSA-N 1 3 338.521 2.040 10 0 EEAEHO C[C@H]1CCN(CC(=O)N[C@H](C[NH2+]Cc2cccc(F)c2)C2CC2)C1 ZINC001483587250 1190573607 /nfs/dbraw/zinc/57/36/07/1190573607.db2.gz BOSANRBBBIOMCU-KBXCAEBGSA-N 1 3 333.451 2.152 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001272653240 1190964284 /nfs/dbraw/zinc/96/42/84/1190964284.db2.gz PGHSJFCZOXEXGA-QGZVFWFLSA-N 1 3 335.467 2.494 10 0 EEAEHO CC(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001484197996 1191269807 /nfs/dbraw/zinc/26/98/07/1191269807.db2.gz OCFOGDCOADRZGX-OAHLLOKOSA-N 1 3 333.467 2.446 10 0 EEAEHO CC(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001484197996 1191269809 /nfs/dbraw/zinc/26/98/09/1191269809.db2.gz OCFOGDCOADRZGX-OAHLLOKOSA-N 1 3 333.467 2.446 10 0 EEAEHO Cc1nc(C)c(CNCC2CC(NC(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001485110554 1191657575 /nfs/dbraw/zinc/65/75/75/1191657575.db2.gz MYOAMRYQTBMECB-UHFFFAOYSA-N 1 3 348.491 2.152 10 0 EEAEHO CCOCCCN1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H]1C ZINC001486177176 1193715583 /nfs/dbraw/zinc/71/55/83/1193715583.db2.gz PMVQNNBTRRJEPJ-IRXDYDNUSA-N 1 3 337.508 2.011 10 0 EEAEHO Cc1ncoc1CNC[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001486220726 1193758289 /nfs/dbraw/zinc/75/82/89/1193758289.db2.gz OPEMRIBKECHCOB-IAGOWNOFSA-N 1 3 348.491 2.234 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCc2ccccc2)C(C)(C)C1 ZINC001411105973 1198796321 /nfs/dbraw/zinc/79/63/21/1198796321.db2.gz LWLUZRIAPZHIOR-GOSISDBHSA-N 1 3 331.504 2.398 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]C[C@@H](O)c1ccccc1)C(C)(C)C ZINC001411222285 1198932686 /nfs/dbraw/zinc/93/26/86/1198932686.db2.gz KGLHDQLQLDTTQB-QZTJIDSGSA-N 1 3 349.519 2.181 10 0 EEAEHO Cc1cccnc1C[NH+]1CCC([C@@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001411241627 1198959778 /nfs/dbraw/zinc/95/97/78/1198959778.db2.gz YYDKEWNLAPKSLI-QGZVFWFLSA-N 1 3 346.519 2.447 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]CCc1ccc(Cl)cc1 ZINC001275422752 1205353474 /nfs/dbraw/zinc/35/34/74/1205353474.db2.gz YSNBWUIDSWEDFU-LBPRGKRZSA-N 1 3 334.851 2.251 10 0 EEAEHO c1ccc(N2CCN(CCCN[C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925538185 1206124982 /nfs/dbraw/zinc/12/49/82/1206124982.db2.gz PHFYGEMYNMHZMA-IBGZPJMESA-N 1 3 328.504 2.073 10 0 EEAEHO CC1(C)C[C@@H](N[C@H]2CCN(C(=O)COc3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925665866 1206141360 /nfs/dbraw/zinc/14/13/60/1206141360.db2.gz NAVDBUPTFSKDMS-IKGGRYGDSA-N 1 3 345.487 2.162 10 0 EEAEHO O=C1O[C@@H](CN[C@H]2CCSc3ccccc32)CC12CC[NH2+]CC2 ZINC000925850453 1206160388 /nfs/dbraw/zinc/16/03/88/1206160388.db2.gz ASCAHJLFSFXTRA-HIFRSBDPSA-N 1 3 332.469 2.498 10 0 EEAEHO COc1ccc2c(c1F)CC[C@@H]2NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853048 1206160931 /nfs/dbraw/zinc/16/09/31/1206160931.db2.gz XRENPNCUZHDKSY-WFASDCNBSA-N 1 3 348.418 2.097 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000928442597 1206384930 /nfs/dbraw/zinc/38/49/30/1206384930.db2.gz WNNZTRSEDMOGSO-SJLPKXTDSA-N 1 3 329.488 2.498 10 0 EEAEHO CCC1([NH2+]CCCOC(C)C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001327438873 1208512239 /nfs/dbraw/zinc/51/22/39/1208512239.db2.gz ZDBILVSSZDXYQW-KRWDZBQOSA-N 1 3 339.524 2.257 10 0 EEAEHO CC[NH+](CC)C[C@@H](C)NC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000827777412 1248708757 /nfs/dbraw/zinc/70/87/57/1248708757.db2.gz SLNHKXWLEKUVNA-TZMCWYRMSA-N 1 3 326.872 2.280 10 0 EEAEHO c1cc2c(cc1-c1nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no1)OCCNC2 ZINC000900015510 1233975994 /nfs/dbraw/zinc/97/59/94/1233975994.db2.gz CWAIHBRYTHQXNB-GOOCMWNKSA-N 1 3 326.400 2.217 10 0 EEAEHO C[NH+](C)[C@]1(CNC(=O)c2ccc(NC3=NCCC3)cc2)CCSC1 ZINC000900947131 1235032342 /nfs/dbraw/zinc/03/23/42/1235032342.db2.gz WZLMJSPKNCAMRJ-SFHVURJKSA-N 1 3 346.500 2.458 10 0 EEAEHO COc1ccc([C@@H](CN2CCCC2)NC(=O)C23CC[NH+](CC2)C3)cc1 ZINC000901280678 1235471804 /nfs/dbraw/zinc/47/18/04/1235471804.db2.gz SGVYWPZTAUZVQP-GOSISDBHSA-N 1 3 343.471 2.044 10 0 EEAEHO C[C@@H]1CN(CC(=O)Nc2ccc(N3CCCC3)cc2)C[C@H]1CC[NH3+] ZINC000903496738 1240675137 /nfs/dbraw/zinc/67/51/37/1240675137.db2.gz BAXOZVYYUMUDKV-HZPDHXFCSA-N 1 3 330.476 2.142 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001491079996 1258646370 /nfs/dbraw/zinc/64/63/70/1258646370.db2.gz HFHDLBVEEHLFCA-QWQRMKEZSA-N 1 3 333.451 2.390 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2cc(C)ccc2OC)CC[N@@H+]1C ZINC001491464160 1259105454 /nfs/dbraw/zinc/10/54/54/1259105454.db2.gz XAAXVFZRVPQHFZ-BPQIPLTHSA-N 1 3 347.503 2.328 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2cc(C)ccc2OC)CC[N@H+]1C ZINC001491464160 1259105456 /nfs/dbraw/zinc/10/54/56/1259105456.db2.gz XAAXVFZRVPQHFZ-BPQIPLTHSA-N 1 3 347.503 2.328 10 0 EEAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1c(Cl)nc2ccccn21 ZINC000850354193 1277193110 /nfs/dbraw/zinc/19/31/10/1277193110.db2.gz XPLSEACOSXGAII-AWEZNQCLSA-N 1 3 337.899 2.349 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCN1CCOC1CCC1 ZINC001489311620 1290540684 /nfs/dbraw/zinc/54/06/84/1290540684.db2.gz GFEKYMQDIJKNIS-AEFFLSMTSA-N 1 3 337.508 2.011 10 0 EEAEHO CSc1nnc(CCCN[C@H]2C[C@@H]([NH3+])C23CCC3)n1CC(C)C ZINC000925487697 1292204469 /nfs/dbraw/zinc/20/44/69/1292204469.db2.gz NXOYEFOTKDYFIM-KGLIPLIRSA-N 1 3 337.537 2.448 10 0 EEAEHO Cn1cc(CNCC2CC[NH+](C3CCOCC3)CC2)c(Cl)n1 ZINC000856794769 1293634846 /nfs/dbraw/zinc/63/48/46/1293634846.db2.gz UQGVCRLHGDNRMM-UHFFFAOYSA-N 1 3 326.872 2.054 10 0 EEAEHO Cc1ccncc1CN1CCC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001491126491 1299615799 /nfs/dbraw/zinc/61/57/99/1299615799.db2.gz ZIOZFBXHLAUSKO-SFHVURJKSA-N 1 3 346.519 2.450 10 0 EEAEHO C[C@H](CCCNCc1cnc(Cl)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277355849 1302613760 /nfs/dbraw/zinc/61/37/60/1302613760.db2.gz NFWAJHCMVLDCAY-VXGBXAGGSA-N 1 3 344.912 2.123 10 0 EEAEHO C[C@H](CCCNCc1cnc(Cl)s1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001277355849 1302613772 /nfs/dbraw/zinc/61/37/72/1302613772.db2.gz NFWAJHCMVLDCAY-VXGBXAGGSA-N 1 3 344.912 2.123 10 0 EEAEHO CN1C(=O)CCc2cc(CNCCC[NH2+]Cc3cccnc3)ccc21 ZINC000841042124 1315461121 /nfs/dbraw/zinc/46/11/21/1315461121.db2.gz LFNXNEUTOLNCFV-UHFFFAOYSA-N 1 3 338.455 2.260 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CCCOC)C1 ZINC001264685592 1322783770 /nfs/dbraw/zinc/78/37/70/1322783770.db2.gz LYBWBABCHMLPEK-ZWKOTPCHSA-N 1 3 339.524 2.258 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCCCN(Cc2ccccn2)C2CC2)CC[N@@H+]1C ZINC001265162657 1322959256 /nfs/dbraw/zinc/95/92/56/1322959256.db2.gz IKYBYQVAJNKFBL-RBUKOAKNSA-N 1 3 344.503 2.283 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCCCN(Cc2ccccn2)C2CC2)CC[N@H+]1C ZINC001265162657 1322959258 /nfs/dbraw/zinc/95/92/58/1322959258.db2.gz IKYBYQVAJNKFBL-RBUKOAKNSA-N 1 3 344.503 2.283 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCc2ccccc2)C1)N(C)C ZINC001265482907 1323177564 /nfs/dbraw/zinc/17/75/64/1323177564.db2.gz BWGGTONCSBYPKI-FHWLQOOXSA-N 1 3 331.504 2.442 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001265626183 1323277491 /nfs/dbraw/zinc/27/74/91/1323277491.db2.gz PQZCAQICXHLDOZ-MSEQUDFZSA-N 1 3 338.455 2.494 10 0 EEAEHO CC(C)CCOCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001266186565 1323752497 /nfs/dbraw/zinc/75/24/97/1323752497.db2.gz FVYDLFCOBVYJGR-GOSISDBHSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]CCc2ccc(C)cc2)C1 ZINC001282076694 1325612666 /nfs/dbraw/zinc/61/26/66/1325612666.db2.gz YSNLAQZIPOBUPH-UHFFFAOYSA-N 1 3 340.471 2.296 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCOC2CCCCCC2)C1 ZINC001317091775 1332075737 /nfs/dbraw/zinc/07/57/37/1332075737.db2.gz IHAZBCQCUHJAMJ-WKILWMFISA-N 1 3 348.491 2.237 10 0 EEAEHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccnc(Cl)c1 ZINC001317405290 1332216416 /nfs/dbraw/zinc/21/64/16/1332216416.db2.gz GUGMFFATYMFQMQ-KGLIPLIRSA-N 1 3 338.883 2.061 10 0 EEAEHO Cc1ncoc1CNCC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001319775169 1332764843 /nfs/dbraw/zinc/76/48/43/1332764843.db2.gz QYPPEBLSVJDAMI-DOTOQJQBSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncoc1CNCC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001319775169 1332764846 /nfs/dbraw/zinc/76/48/46/1332764846.db2.gz QYPPEBLSVJDAMI-DOTOQJQBSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncoc1C[NH2+]CC[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001319775169 1332764850 /nfs/dbraw/zinc/76/48/50/1332764850.db2.gz QYPPEBLSVJDAMI-DOTOQJQBSA-N 1 3 348.491 2.186 10 0 EEAEHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)cc1F)N(C)C ZINC001320553148 1332908665 /nfs/dbraw/zinc/90/86/65/1332908665.db2.gz QDCQDAMTTKWZOS-WBMJQRKESA-N 1 3 327.419 2.289 10 0 EEAEHO Cc1cc(CNC/C=C/CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cs1 ZINC001321066077 1333010165 /nfs/dbraw/zinc/01/01/65/1333010165.db2.gz ZAWPRHADLRHWGO-RCAFFNEUSA-N 1 3 333.501 2.160 10 0 EEAEHO Cc1cccc(C)c1OCC[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001321652960 1333138707 /nfs/dbraw/zinc/13/87/07/1333138707.db2.gz SHTBAOKEZWGHBZ-CRAIPNDOSA-N 1 3 347.503 2.118 10 0 EEAEHO Cc1ccc(C[NH2+]CCCN(C)C(=O)CN(C)C2CCC2)c(C)n1 ZINC001322543968 1333279950 /nfs/dbraw/zinc/27/99/50/1333279950.db2.gz QIOCPKPHCVPODX-UHFFFAOYSA-N 1 3 332.492 2.121 10 0 EEAEHO COc1cccc([C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001322647858 1333300839 /nfs/dbraw/zinc/30/08/39/1333300839.db2.gz HUVQOOQVVLXEGH-CRAIPNDOSA-N 1 3 333.476 2.289 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(F)cn1 ZINC001322852477 1333342105 /nfs/dbraw/zinc/34/21/05/1333342105.db2.gz PFKFABVALNHSTQ-KRWDZBQOSA-N 1 3 336.455 2.033 10 0 EEAEHO CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001327047301 1334210518 /nfs/dbraw/zinc/21/05/18/1334210518.db2.gz DEMRIDVQUQUOGI-QZTJIDSGSA-N 1 3 337.508 2.034 10 0 EEAEHO C[C@@H](CCC[NH2+]CC1CC(F)(F)C1)NC(=O)C1(N(C)C)CCC1 ZINC001330834956 1334911791 /nfs/dbraw/zinc/91/17/91/1334911791.db2.gz GVFJCYFGEXLRJQ-ZDUSSCGKSA-N 1 3 331.451 2.391 10 0 EEAEHO CCCCOCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001332387923 1335815996 /nfs/dbraw/zinc/81/59/96/1335815996.db2.gz NEKXCBLVLDNIGS-MRXNPFEDSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)(C)[C@@H](CNCCF)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001332881755 1335924289 /nfs/dbraw/zinc/92/42/89/1335924289.db2.gz MIBLKSITCJWHGZ-MRXNPFEDSA-N 1 3 327.488 2.198 10 0 EEAEHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CCCCC(F)(F)F)C1 ZINC001333102764 1335963201 /nfs/dbraw/zinc/96/32/01/1335963201.db2.gz MBJNEMBHGRPAFO-JXQTWKCFSA-N 1 3 335.414 2.392 10 0 EEAEHO C[C@H]1C[C@H](C[N@H+]2CC=C(CNC(=O)C3(N(C)C)CCC3)CC2)CCO1 ZINC001333352261 1336017528 /nfs/dbraw/zinc/01/75/28/1336017528.db2.gz YYDKGLVWSWXNTJ-FUHWJXTLSA-N 1 3 349.519 2.034 10 0 EEAEHO C[C@H]1C[C@H](C[N@@H+]2CC=C(CNC(=O)C3(N(C)C)CCC3)CC2)CCO1 ZINC001333352261 1336017532 /nfs/dbraw/zinc/01/75/32/1336017532.db2.gz YYDKGLVWSWXNTJ-FUHWJXTLSA-N 1 3 349.519 2.034 10 0 EEAEHO COc1ccc([C@H](NC(C)C)C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC001413869210 1338572401 /nfs/dbraw/zinc/57/24/01/1338572401.db2.gz MDJADOKSFPCZQD-KANFNMMFSA-N 1 3 345.487 2.191 10 0 EEAEHO COc1ccc([C@H](NC(C)C)C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC001413869210 1338572404 /nfs/dbraw/zinc/57/24/04/1338572404.db2.gz MDJADOKSFPCZQD-KANFNMMFSA-N 1 3 345.487 2.191 10 0 EEAEHO Cc1nn(C(C)C)cc1C[NH2+]CC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001668214723 1355900827 /nfs/dbraw/zinc/90/08/27/1355900827.db2.gz NXIXMJRLYRFVBV-HOTGVXAUSA-N 1 3 349.523 2.099 10 0 EEAEHO CCN(CC[NH2+]C[C@@H]1CCCCO1)C(=O)c1cccc(CN(C)C)c1 ZINC001668652367 1355980405 /nfs/dbraw/zinc/98/04/05/1355980405.db2.gz NJQOLLXRDJLNRA-IBGZPJMESA-N 1 3 347.503 2.369 10 0 EEAEHO CCc1noc(C)c1CNCCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001676007206 1357087117 /nfs/dbraw/zinc/08/71/17/1357087117.db2.gz WONYLORXQKFBFI-CQSZACIVSA-N 1 3 348.491 2.016 10 0 EEAEHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C[NH2+]CCCF ZINC001569836979 1342955772 /nfs/dbraw/zinc/95/57/72/1342955772.db2.gz JDAJLKSEMFJBCM-HOTGVXAUSA-N 1 3 327.488 2.295 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNCc2ocnc2C)C1 ZINC001569985230 1342989259 /nfs/dbraw/zinc/98/92/59/1342989259.db2.gz NUYYRCWDWITPET-IRXDYDNUSA-N 1 3 348.491 2.186 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNCc2ocnc2C)C1 ZINC001569985230 1342989261 /nfs/dbraw/zinc/98/92/61/1342989261.db2.gz NUYYRCWDWITPET-IRXDYDNUSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1csc(CNCC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)n1 ZINC001569998029 1342994065 /nfs/dbraw/zinc/99/40/65/1342994065.db2.gz GLEUYTSUXWKZPX-OAHLLOKOSA-N 1 3 338.521 2.122 10 0 EEAEHO CC/C=C\CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001570976454 1343145097 /nfs/dbraw/zinc/14/50/97/1343145097.db2.gz CBOZVLAGDGZKSJ-SEDCNLEPSA-N 1 3 337.508 2.033 10 0 EEAEHO COCCCC[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001676423338 1357148710 /nfs/dbraw/zinc/14/87/10/1357148710.db2.gz DIDQQBPWFKNEGV-QAPCUYQASA-N 1 3 345.503 2.062 10 0 EEAEHO CCCCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001676768010 1357196636 /nfs/dbraw/zinc/19/66/36/1357196636.db2.gz RRTIEOJACHDUFR-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]CCCc2cccc(F)c2)C1 ZINC001649441161 1353506807 /nfs/dbraw/zinc/50/68/07/1353506807.db2.gz UINYWGVMWVPBPB-MRXNPFEDSA-N 1 3 335.467 2.148 10 0 EEAEHO CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001649456150 1353515263 /nfs/dbraw/zinc/51/52/63/1353515263.db2.gz HAQVFNFAKBKTGG-JTGQJZMRSA-N 1 3 337.508 2.034 10 0 EEAEHO COCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001656098442 1354200770 /nfs/dbraw/zinc/20/07/70/1354200770.db2.gz UXKRDCINXIEUIQ-ROUUACIJSA-N 1 3 339.524 2.210 10 0 EEAEHO Cc1ncccc1CN(C)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001660369195 1354451293 /nfs/dbraw/zinc/45/12/93/1354451293.db2.gz RKCFRJCUZOYDJZ-MJGOQNOKSA-N 1 3 346.519 2.449 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C[NH2+]CCCC1CCOCC1 ZINC001661950812 1354727881 /nfs/dbraw/zinc/72/78/81/1354727881.db2.gz ZNKVESQWSKYQIO-SFHVURJKSA-N 1 3 348.491 2.130 10 0 EEAEHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CC=C(Cl)Cl)C2)CC1 ZINC001662700277 1354828180 /nfs/dbraw/zinc/82/81/80/1354828180.db2.gz BTBGISGMQMOTBO-CQSZACIVSA-N 1 3 348.318 2.475 10 0 EEAEHO COCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001662796687 1354848373 /nfs/dbraw/zinc/84/83/73/1354848373.db2.gz DMYWOPSVWISMIY-QZTJIDSGSA-N 1 3 333.476 2.025 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCCN(CCCOCC)C2)C1 ZINC001665068969 1355270808 /nfs/dbraw/zinc/27/08/08/1355270808.db2.gz IVHAJPCOJNRRTL-MSOLQXFVSA-N 1 3 339.524 2.116 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCCN(CCCOCC)C2)C1 ZINC001665068969 1355270815 /nfs/dbraw/zinc/27/08/15/1355270815.db2.gz IVHAJPCOJNRRTL-MSOLQXFVSA-N 1 3 339.524 2.116 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001669074968 1356085465 /nfs/dbraw/zinc/08/54/65/1356085465.db2.gz HPJAYUQBBQIDER-OOFWQKGWSA-N 1 3 344.503 2.417 10 0 EEAEHO Cc1oncc1CNCCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001670158471 1356287613 /nfs/dbraw/zinc/28/76/13/1356287613.db2.gz UXPGLMVFLWEUOS-KRWDZBQOSA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1oncc1CNCCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001670158471 1356287616 /nfs/dbraw/zinc/28/76/16/1356287616.db2.gz UXPGLMVFLWEUOS-KRWDZBQOSA-N 1 3 336.480 2.042 10 0 EEAEHO O=C(N[C@H](CNCCF)C1CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699575310 1405401222 /nfs/dbraw/zinc/40/12/22/1405401222.db2.gz CVAPVFAGVUMSHA-NVXWUHKLSA-N 1 3 325.472 2.095 10 0 EEAEHO O=C(N[C@H](CNCCF)C1CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001699575310 1405401225 /nfs/dbraw/zinc/40/12/25/1405401225.db2.gz CVAPVFAGVUMSHA-NVXWUHKLSA-N 1 3 325.472 2.095 10 0 EEAEHO COC[C@H](CCC[NH3+])N[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000817924384 785076352 /nfs/dbraw/zinc/07/63/52/785076352.db2.gz WCWBCSSRIMVFPT-IRXDYDNUSA-N 1 3 333.476 2.061 10 0 EEAEHO CCN1CCN([C@@H](C)C[NH2+]Cc2cn(C)nc2C2CCCC2)CC1 ZINC000921530184 789046615 /nfs/dbraw/zinc/04/66/15/789046615.db2.gz RAXBNTJOGJYVHA-INIZCTEOSA-N 1 3 333.524 2.193 10 0 EEAEHO C[C@@H]1CN(C[C@H](O)c2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC000923490552 789659691 /nfs/dbraw/zinc/65/96/91/789659691.db2.gz DMJFAFCZCMWEPH-ZLDLUXBVSA-N 1 3 327.266 2.399 10 0 EEAEHO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496776 789669743 /nfs/dbraw/zinc/66/97/43/789669743.db2.gz DIZPXSPYJONYJG-PMPSAXMXSA-N 1 3 342.487 2.132 10 0 EEAEHO CC(C)OCc1ccccc1CNC(=O)CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923501480 789686016 /nfs/dbraw/zinc/68/60/16/789686016.db2.gz UTOZNTPMJZGRLX-IRXDYDNUSA-N 1 3 347.503 2.145 10 0 EEAEHO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503635 789700624 /nfs/dbraw/zinc/70/06/24/789700624.db2.gz JVFXKONSNHPOGT-VYCVNGLKSA-N 1 3 333.520 2.377 10 0 EEAEHO CC(C)C(=O)NCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716676801 796406083 /nfs/dbraw/zinc/40/60/83/796406083.db2.gz CWNJCVCQWNTNLA-OTWHNJEPSA-N 1 3 329.488 2.401 10 0 EEAEHO CC(C)C(=O)NCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716676801 796406085 /nfs/dbraw/zinc/40/60/85/796406085.db2.gz CWNJCVCQWNTNLA-OTWHNJEPSA-N 1 3 329.488 2.401 10 0 EEAEHO CC(C)C(=O)NCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716676801 796406087 /nfs/dbraw/zinc/40/60/87/796406087.db2.gz CWNJCVCQWNTNLA-OTWHNJEPSA-N 1 3 329.488 2.401 10 0 EEAEHO Cc1ccncc1CN(C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001566464931 1125624839 /nfs/dbraw/zinc/62/48/39/1125624839.db2.gz BPTQEVLMDSWCTD-MOPGFXCFSA-N 1 3 344.503 2.345 10 0 EEAEHO Cc1ccncc1CN(C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001566464931 1125624843 /nfs/dbraw/zinc/62/48/43/1125624843.db2.gz BPTQEVLMDSWCTD-MOPGFXCFSA-N 1 3 344.503 2.345 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCCN(C)Cc1cccnc1 ZINC001566470354 1125631707 /nfs/dbraw/zinc/63/17/07/1125631707.db2.gz RIHKMJKCNRVLJZ-GOSISDBHSA-N 1 3 332.492 2.140 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCCN(C)Cc1cccnc1 ZINC001566470354 1125631711 /nfs/dbraw/zinc/63/17/11/1125631711.db2.gz RIHKMJKCNRVLJZ-GOSISDBHSA-N 1 3 332.492 2.140 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1ccc(F)c(F)c1 ZINC001437156568 1089158633 /nfs/dbraw/zinc/15/86/33/1089158633.db2.gz OCQZTYZMDVWTNL-SUMWQHHRSA-N 1 3 339.430 2.434 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1ccc(F)c(F)c1 ZINC001437156568 1089158638 /nfs/dbraw/zinc/15/86/38/1089158638.db2.gz OCQZTYZMDVWTNL-SUMWQHHRSA-N 1 3 339.430 2.434 10 0 EEAEHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccc(N(C)C)c1 ZINC001437202294 1089266307 /nfs/dbraw/zinc/26/63/07/1089266307.db2.gz GOGRFWKSKSHMLO-INIZCTEOSA-N 1 3 348.535 2.325 10 0 EEAEHO Cc1ncc(CN[C@H]2CCC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001437321031 1089482087 /nfs/dbraw/zinc/48/20/87/1089482087.db2.gz IKFGEAXCQRARIX-IRXDYDNUSA-N 1 3 348.491 2.376 10 0 EEAEHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CCOc1ccccc1 ZINC001437622480 1090134605 /nfs/dbraw/zinc/13/46/05/1090134605.db2.gz ZNADHMAKUJSNPK-ROUUACIJSA-N 1 3 347.503 2.234 10 0 EEAEHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CCOc1ccccc1 ZINC001437622480 1090134611 /nfs/dbraw/zinc/13/46/11/1090134611.db2.gz ZNADHMAKUJSNPK-ROUUACIJSA-N 1 3 347.503 2.234 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1cc2ccccc2o1 ZINC001438367537 1090843753 /nfs/dbraw/zinc/84/37/53/1090843753.db2.gz NAAIASQPXSGWNA-CVEARBPZSA-N 1 3 329.444 2.369 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1cc2ccccc2o1 ZINC001438367537 1090843758 /nfs/dbraw/zinc/84/37/58/1090843758.db2.gz NAAIASQPXSGWNA-CVEARBPZSA-N 1 3 329.444 2.369 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)CC1 ZINC001438443824 1090946616 /nfs/dbraw/zinc/94/66/16/1090946616.db2.gz XUAVWYZWQKBYDW-QAQDUYKDSA-N 1 3 336.455 2.080 10 0 EEAEHO COCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001438648949 1091133663 /nfs/dbraw/zinc/13/36/63/1091133663.db2.gz GVOBYFDYNTVQNN-MRXNPFEDSA-N 1 3 347.503 2.254 10 0 EEAEHO COc1ccc(C)cc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCCN1C ZINC001438659908 1091149148 /nfs/dbraw/zinc/14/91/48/1091149148.db2.gz GUVFWALIQVMUJV-SJLPKXTDSA-N 1 3 347.503 2.424 10 0 EEAEHO CC(C)[C@H](CNC(=O)CC[NH+](C)C)NCc1ccc(F)cc1F ZINC001438831912 1091453662 /nfs/dbraw/zinc/45/36/62/1091453662.db2.gz STAMUTDQGFMPQT-INIZCTEOSA-N 1 3 327.419 2.147 10 0 EEAEHO CCc1cccc(CN(C)CCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001438931364 1091612236 /nfs/dbraw/zinc/61/22/36/1091612236.db2.gz GKIYDZQCWMKCMO-LJQANCHMSA-N 1 3 331.504 2.481 10 0 EEAEHO CCc1cccc(CN(C)CCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001438931364 1091612239 /nfs/dbraw/zinc/61/22/39/1091612239.db2.gz GKIYDZQCWMKCMO-LJQANCHMSA-N 1 3 331.504 2.481 10 0 EEAEHO C[C@H](CNCc1cc(F)cc(F)c1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001439124932 1091768282 /nfs/dbraw/zinc/76/82/82/1091768282.db2.gz XSKUEVVHHDKULU-DYVFJYSZSA-N 1 3 339.430 2.434 10 0 EEAEHO C[C@H](CNCc1cc(F)cc(F)c1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001439124932 1091768285 /nfs/dbraw/zinc/76/82/85/1091768285.db2.gz XSKUEVVHHDKULU-DYVFJYSZSA-N 1 3 339.430 2.434 10 0 EEAEHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001439530574 1092384414 /nfs/dbraw/zinc/38/44/14/1092384414.db2.gz BARXAKGVDBECEV-DLBZAZTESA-N 1 3 327.488 2.437 10 0 EEAEHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001439530574 1092384427 /nfs/dbraw/zinc/38/44/27/1092384427.db2.gz BARXAKGVDBECEV-DLBZAZTESA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)[C@H](C(=O)NCC1([NH2+]CC[C@@H](C)F)CC1)N1CCCCC1 ZINC001439674530 1092616163 /nfs/dbraw/zinc/61/61/63/1092616163.db2.gz GKPXYZYOVGTKGH-HZPDHXFCSA-N 1 3 327.488 2.483 10 0 EEAEHO CC[C@@H](F)C[NH+]1CCC(C)(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001439919532 1092996535 /nfs/dbraw/zinc/99/65/35/1092996535.db2.gz DECWFNYKYRAXQH-HZPDHXFCSA-N 1 3 327.488 2.295 10 0 EEAEHO O=C(NCC1(NCc2cccnc2)CCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001440344131 1093493400 /nfs/dbraw/zinc/49/34/00/1093493400.db2.gz RSYUNNJJIMSHLU-QZTJIDSGSA-N 1 3 342.487 2.227 10 0 EEAEHO O=C(NCC1(NCc2cccnc2)CCC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001440344131 1093493403 /nfs/dbraw/zinc/49/34/03/1093493403.db2.gz RSYUNNJJIMSHLU-QZTJIDSGSA-N 1 3 342.487 2.227 10 0 EEAEHO CC[N@H+](C)CCC(=O)NCC1(NCc2c(C)nsc2C)CCC1 ZINC001440347788 1093499833 /nfs/dbraw/zinc/49/98/33/1093499833.db2.gz OJISKIXFSTUNJW-UHFFFAOYSA-N 1 3 338.521 2.230 10 0 EEAEHO CC[N@@H+](C)CCC(=O)NCC1(NCc2c(C)nsc2C)CCC1 ZINC001440347788 1093499837 /nfs/dbraw/zinc/49/98/37/1093499837.db2.gz OJISKIXFSTUNJW-UHFFFAOYSA-N 1 3 338.521 2.230 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCc2cccs2)[C@@H]1C)N(C)C ZINC001440491087 1093728281 /nfs/dbraw/zinc/72/82/81/1093728281.db2.gz UOOFLYMGKTXFQE-PVAVHDDUSA-N 1 3 337.533 2.456 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCc2cccs2)[C@@H]1C)N(C)C ZINC001440491087 1093728282 /nfs/dbraw/zinc/72/82/82/1093728282.db2.gz UOOFLYMGKTXFQE-PVAVHDDUSA-N 1 3 337.533 2.456 10 0 EEAEHO CCC1([NH2+]Cc2cnccc2C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001440516891 1093766472 /nfs/dbraw/zinc/76/64/72/1093766472.db2.gz AYXDUNSDHDAKSW-SFHVURJKSA-N 1 3 344.503 2.345 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)NCc2ncccc2C)C1 ZINC001448712245 1093783382 /nfs/dbraw/zinc/78/33/82/1093783382.db2.gz UUZBHTYMJHBOIZ-QZTJIDSGSA-N 1 3 346.519 2.449 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)NCc2ncccc2C)C1 ZINC001448712245 1093783391 /nfs/dbraw/zinc/78/33/91/1093783391.db2.gz UUZBHTYMJHBOIZ-QZTJIDSGSA-N 1 3 346.519 2.449 10 0 EEAEHO C[C@@H](CCNC(=O)[C@@H]1CCCN1C)[NH2+]Cc1ccc(F)cc1F ZINC001440654915 1093927523 /nfs/dbraw/zinc/92/75/23/1093927523.db2.gz AKGAGWKGOOTCKM-LRDDRELGSA-N 1 3 325.403 2.043 10 0 EEAEHO Cc1ccccc1OCCN(C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001440729999 1093976842 /nfs/dbraw/zinc/97/68/42/1093976842.db2.gz DUDDLOJCDAITAG-SFHVURJKSA-N 1 3 347.503 2.248 10 0 EEAEHO COc1cc(CN(C)[C@@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)ccc1C ZINC001440993367 1094260334 /nfs/dbraw/zinc/26/03/34/1094260334.db2.gz CHFKZVZXKUVLPD-WMZOPIPTSA-N 1 3 347.503 2.282 10 0 EEAEHO COc1cc(CN(C)[C@@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)ccc1C ZINC001440993367 1094260340 /nfs/dbraw/zinc/26/03/40/1094260340.db2.gz CHFKZVZXKUVLPD-WMZOPIPTSA-N 1 3 347.503 2.282 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H](C)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001449375682 1094346211 /nfs/dbraw/zinc/34/62/11/1094346211.db2.gz TZVNJAQUQLMGIP-WMZOPIPTSA-N 1 3 339.524 2.114 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1cccnc1C)C1CC1 ZINC001441208723 1094571894 /nfs/dbraw/zinc/57/18/94/1094571894.db2.gz VFZSOUAISZWCFW-RTBURBONSA-N 1 3 344.503 2.249 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001441372874 1094904236 /nfs/dbraw/zinc/90/42/36/1094904236.db2.gz FFPAKMGKXBVJDI-CZIWCDLHSA-N 1 3 339.430 2.291 10 0 EEAEHO Cc1ccc(CN(CCNC(=O)C23CC[NH+](CC2)C3)C2CC2)cc1 ZINC001443044060 1097452947 /nfs/dbraw/zinc/45/29/47/1097452947.db2.gz LLIQLSRKDIICMB-UHFFFAOYSA-N 1 3 327.472 2.171 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCCc2ccccc2)C1 ZINC001443316590 1097801015 /nfs/dbraw/zinc/80/10/15/1097801015.db2.gz ZTBSYOXWWQSERE-UXHICEINSA-N 1 3 343.515 2.494 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCCc2ccccc2)C1 ZINC001443316590 1097801019 /nfs/dbraw/zinc/80/10/19/1097801019.db2.gz ZTBSYOXWWQSERE-UXHICEINSA-N 1 3 343.515 2.494 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC001443417255 1097918854 /nfs/dbraw/zinc/91/88/54/1097918854.db2.gz MAZXNRSILWUUQI-GOSISDBHSA-N 1 3 340.471 2.267 10 0 EEAEHO CN(C)C1(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)CCCC1 ZINC001443903100 1098427867 /nfs/dbraw/zinc/42/78/67/1098427867.db2.gz FOZNAONCSNFRPM-UHFFFAOYSA-N 1 3 333.476 2.464 10 0 EEAEHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCc1ccns1 ZINC001443964629 1098482987 /nfs/dbraw/zinc/48/29/87/1098482987.db2.gz MMKOLUGGAGMIGV-AWEZNQCLSA-N 1 3 338.521 2.044 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC(F)(F)F ZINC001479586568 1098620167 /nfs/dbraw/zinc/62/01/67/1098620167.db2.gz RHJBMRSSXTWLIM-KGLIPLIRSA-N 1 3 337.430 2.496 10 0 EEAEHO CC[C@@H](C)CNCc1nc2c(s1)CCN(C(=O)CC[NH+](C)C)C2 ZINC001479741890 1098863196 /nfs/dbraw/zinc/86/31/96/1098863196.db2.gz MJVUZYKZECQVDS-CYBMUJFWSA-N 1 3 338.521 2.115 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]C[C@@H]1CCCOC1)C1CCCC1 ZINC001446509786 1100960543 /nfs/dbraw/zinc/96/05/43/1100960543.db2.gz NQANHSVDWWKNHF-FUHWJXTLSA-N 1 3 339.524 2.018 10 0 EEAEHO CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1cncs1)N(C)C ZINC001496406208 1101000010 /nfs/dbraw/zinc/00/00/10/1101000010.db2.gz HEONBOFIRWCJDK-GOEBONIOSA-N 1 3 338.521 2.344 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](N[C@@H](C)c2cnc(C)cn2)CC1 ZINC001495473365 1101184656 /nfs/dbraw/zinc/18/46/56/1101184656.db2.gz HRXAELBNSDBNQV-ULQDDVLXSA-N 1 3 347.507 2.205 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](N[C@@H](C)c2cnc(C)cn2)CC1 ZINC001495473365 1101184658 /nfs/dbraw/zinc/18/46/58/1101184658.db2.gz HRXAELBNSDBNQV-ULQDDVLXSA-N 1 3 347.507 2.205 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCc2ccccc2)C1 ZINC001496870157 1101645881 /nfs/dbraw/zinc/64/58/81/1101645881.db2.gz RDRCQCQNIKLWKB-PMACEKPBSA-N 1 3 343.515 2.492 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCc2ccccc2)C1 ZINC001496870157 1101645885 /nfs/dbraw/zinc/64/58/85/1101645885.db2.gz RDRCQCQNIKLWKB-PMACEKPBSA-N 1 3 343.515 2.492 10 0 EEAEHO C[NH+](C)CCC(=O)NCC1(NCc2cccc(Cl)n2)CCCC1 ZINC001495939512 1101794384 /nfs/dbraw/zinc/79/43/84/1101794384.db2.gz JTOXOHFNPJJBEX-UHFFFAOYSA-N 1 3 338.883 2.205 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NCC2(NCc3cncc(F)c3)CCCC2)C1 ZINC001495954128 1101824019 /nfs/dbraw/zinc/82/40/19/1101824019.db2.gz YDVLRLYBZMKPRL-HNNXBMFYSA-N 1 3 348.466 2.081 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NCC2(NCc3cncc(F)c3)CCCC2)C1 ZINC001495954128 1101824040 /nfs/dbraw/zinc/82/40/40/1101824040.db2.gz YDVLRLYBZMKPRL-HNNXBMFYSA-N 1 3 348.466 2.081 10 0 EEAEHO C[C@@H](C[NH2+]CCCC1CCOCC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001496078805 1102020892 /nfs/dbraw/zinc/02/08/92/1102020892.db2.gz IHSXOWVRBSANAZ-INIZCTEOSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001496098154 1102057314 /nfs/dbraw/zinc/05/73/14/1102057314.db2.gz UBSOUTJPMGVBAN-TZMCWYRMSA-N 1 3 326.872 2.012 10 0 EEAEHO Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C2(N(C)C)CCC2)c(C)n1 ZINC001497206640 1102127049 /nfs/dbraw/zinc/12/70/49/1102127049.db2.gz VOEOGVDPTCGYCY-OAHLLOKOSA-N 1 3 332.492 2.167 10 0 EEAEHO C[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001496155080 1102147313 /nfs/dbraw/zinc/14/73/13/1102147313.db2.gz SGKMKNXKKJXARX-HOTGVXAUSA-N 1 3 342.487 2.446 10 0 EEAEHO CCN(CCNCc1cccnc1)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001497500305 1102588925 /nfs/dbraw/zinc/58/89/25/1102588925.db2.gz FIBXNGKECCCHQB-GOSISDBHSA-N 1 3 332.492 2.140 10 0 EEAEHO Cc1ccc(C)c(OCC[NH2+]C/C=C/CNC(=O)[C@@H]2CCCN2C)c1 ZINC001497549293 1102651861 /nfs/dbraw/zinc/65/18/61/1102651861.db2.gz OOPASBBKVOFDDW-WRFKIARRSA-N 1 3 345.487 2.038 10 0 EEAEHO CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cccc2cccnc21)N(C)C ZINC001497682016 1102892931 /nfs/dbraw/zinc/89/29/31/1102892931.db2.gz XWLNYOAWNSWHRB-QWNKOJSDSA-N 1 3 340.471 2.337 10 0 EEAEHO COc1cccc(CNC/C=C/CNC(=O)C[C@H]2CC[N@H+](C)C2)c1C ZINC001497731053 1102980924 /nfs/dbraw/zinc/98/09/24/1102980924.db2.gz MBKHITWMRHGFDR-LAQIPUCWSA-N 1 3 345.487 2.107 10 0 EEAEHO COc1cccc(CNC/C=C/CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1C ZINC001497731053 1102980932 /nfs/dbraw/zinc/98/09/32/1102980932.db2.gz MBKHITWMRHGFDR-LAQIPUCWSA-N 1 3 345.487 2.107 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC(O)(C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001447618397 1102981975 /nfs/dbraw/zinc/98/19/75/1102981975.db2.gz BHUFYJHCQJXPBY-KRWDZBQOSA-N 1 3 347.503 2.031 10 0 EEAEHO Cc1nocc1CN1CCC2(CC1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001447697586 1103129476 /nfs/dbraw/zinc/12/94/76/1103129476.db2.gz BBTXDKXHAGEGCN-UHFFFAOYSA-N 1 3 348.491 2.139 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C)C[NH2+]C[C@H]1CCc2ccccc2C1)N(C)C ZINC001497835498 1103168256 /nfs/dbraw/zinc/16/82/56/1103168256.db2.gz BMKJUMVODDFDAI-JTDSTZFVSA-N 1 3 331.504 2.226 10 0 EEAEHO Cc1ncsc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001497927181 1103349067 /nfs/dbraw/zinc/34/90/67/1103349067.db2.gz RNLOXUUASXQCRC-UKRRQHHQSA-N 1 3 338.521 2.309 10 0 EEAEHO Cc1cc(CN2CC[C@H](CCNC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)on1 ZINC001494017522 1103351008 /nfs/dbraw/zinc/35/10/08/1103351008.db2.gz BQCROUOYUARUNP-FUHWJXTLSA-N 1 3 348.491 2.184 10 0 EEAEHO Cc1cc(CN2CC[C@H](CCNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)on1 ZINC001494017522 1103351024 /nfs/dbraw/zinc/35/10/24/1103351024.db2.gz BQCROUOYUARUNP-FUHWJXTLSA-N 1 3 348.491 2.184 10 0 EEAEHO Cc1oncc1CNCC1CC(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001447817632 1103380573 /nfs/dbraw/zinc/38/05/73/1103380573.db2.gz OGJWVHDGDYZBTI-UHFFFAOYSA-N 1 3 348.491 2.234 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@@H]1CCc2c1c(F)ccc2F ZINC001497954371 1103407180 /nfs/dbraw/zinc/40/71/80/1103407180.db2.gz BBMOGCZMTJGSEI-MLGOLLRUSA-N 1 3 339.430 2.388 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@@H]1CCc2c1c(F)ccc2F ZINC001497954371 1103407183 /nfs/dbraw/zinc/40/71/83/1103407183.db2.gz BBMOGCZMTJGSEI-MLGOLLRUSA-N 1 3 339.430 2.388 10 0 EEAEHO Cc1ncsc1CN[C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001447885070 1103516188 /nfs/dbraw/zinc/51/61/88/1103516188.db2.gz YCLSCNSURYHGKZ-CHWSQXEVSA-N 1 3 336.505 2.063 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001447920619 1103601582 /nfs/dbraw/zinc/60/15/82/1103601582.db2.gz OIGGVZUUVNSTAZ-OLZOCXBDSA-N 1 3 327.419 2.289 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)CC[C@@H]2CCCCO2)C1 ZINC001494178048 1103649948 /nfs/dbraw/zinc/64/99/48/1103649948.db2.gz FPORBHWUVQAEPQ-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)CC[C@@H]2CCCCO2)C1 ZINC001494178048 1103649951 /nfs/dbraw/zinc/64/99/51/1103649951.db2.gz FPORBHWUVQAEPQ-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CCc1ccccc1CCN1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001494615491 1104199778 /nfs/dbraw/zinc/19/97/78/1104199778.db2.gz SMKJTZLPWQQVFD-QGZVFWFLSA-N 1 3 343.515 2.181 10 0 EEAEHO CCc1ccccc1CCN1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001494615491 1104199782 /nfs/dbraw/zinc/19/97/82/1104199782.db2.gz SMKJTZLPWQQVFD-QGZVFWFLSA-N 1 3 343.515 2.181 10 0 EEAEHO CCc1cccc(OCCN(C)C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001498449170 1107552273 /nfs/dbraw/zinc/55/22/73/1107552273.db2.gz CELPRKRFORCGTD-FUHWJXTLSA-N 1 3 347.503 2.016 10 0 EEAEHO CCc1cccc(OCCN(C)C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001498449170 1107552278 /nfs/dbraw/zinc/55/22/78/1107552278.db2.gz CELPRKRFORCGTD-FUHWJXTLSA-N 1 3 347.503 2.016 10 0 EEAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CCN(CCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001493270044 1107822598 /nfs/dbraw/zinc/82/25/98/1107822598.db2.gz ZZONNCIYMSJLEB-GJZGRUSLSA-N 1 3 349.441 2.497 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCSC(C)(C)C ZINC001478274458 1110652610 /nfs/dbraw/zinc/65/26/10/1110652610.db2.gz RRJMYZJLWTWDFF-AWEZNQCLSA-N 1 3 332.558 2.089 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCSC(C)(C)C ZINC001478274458 1110652612 /nfs/dbraw/zinc/65/26/12/1110652612.db2.gz RRJMYZJLWTWDFF-AWEZNQCLSA-N 1 3 332.558 2.089 10 0 EEAEHO C[C@@H](C(=O)N[C@H](CNCCF)C1CCCC1)[NH+]1CCCCCC1 ZINC001500114656 1112623601 /nfs/dbraw/zinc/62/36/01/1112623601.db2.gz KVXWGVSTMSSJSG-DOTOQJQBSA-N 1 3 327.488 2.485 10 0 EEAEHO C[C@@H](C(=O)N[C@H](C[NH2+]CCF)C1CCCC1)N1CCCCCC1 ZINC001500114656 1112623604 /nfs/dbraw/zinc/62/36/04/1112623604.db2.gz KVXWGVSTMSSJSG-DOTOQJQBSA-N 1 3 327.488 2.485 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](F)CC ZINC001501171637 1113227286 /nfs/dbraw/zinc/22/72/86/1113227286.db2.gz FRRGFSPFWYNDJH-WCXIOVBPSA-N 1 3 327.488 2.436 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](F)CC ZINC001501171637 1113227288 /nfs/dbraw/zinc/22/72/88/1113227288.db2.gz FRRGFSPFWYNDJH-WCXIOVBPSA-N 1 3 327.488 2.436 10 0 EEAEHO Cc1cc(CN[C@@H](C)[C@H](C)NC(=O)CC2CC[NH+](C)CC2)sn1 ZINC001505707661 1114142910 /nfs/dbraw/zinc/14/29/10/1114142910.db2.gz WTTCKMRNAWHTRO-KBPBESRZSA-N 1 3 338.521 2.166 10 0 EEAEHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)Cc1ccc2cc[nH]c2c1 ZINC001506038384 1114365228 /nfs/dbraw/zinc/36/52/28/1114365228.db2.gz IXTZASDSKIHIIG-NVXWUHKLSA-N 1 3 342.487 2.446 10 0 EEAEHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)Cc1ccc2cc[nH]c2c1 ZINC001506038384 1114365232 /nfs/dbraw/zinc/36/52/32/1114365232.db2.gz IXTZASDSKIHIIG-NVXWUHKLSA-N 1 3 342.487 2.446 10 0 EEAEHO CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CCO1 ZINC001506841914 1114906918 /nfs/dbraw/zinc/90/69/18/1114906918.db2.gz QKRLCMIORIUHRS-IAGOWNOFSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCOCC1 ZINC001507128454 1115123152 /nfs/dbraw/zinc/12/31/52/1115123152.db2.gz BTOZFHPGAPDNQB-WMZOPIPTSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCCC(C)(C)C)N1CCCCCC1 ZINC001507244960 1115160358 /nfs/dbraw/zinc/16/03/58/1115160358.db2.gz YPXXMRKSJPNISZ-IRXDYDNUSA-N 1 3 341.540 2.144 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1CC[NH2+]CCC(F)(F)F ZINC001568393622 1124463712 /nfs/dbraw/zinc/46/37/12/1124463712.db2.gz OVEUILBFSPOGQK-ZDUSSCGKSA-N 1 3 332.370 2.265 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccc(Cl)n1)N(C)C ZINC001568673888 1124686266 /nfs/dbraw/zinc/68/62/66/1124686266.db2.gz BTRULSLAYSBSLS-CZUORRHYSA-N 1 3 340.899 2.306 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001568678531 1124690497 /nfs/dbraw/zinc/69/04/97/1124690497.db2.gz UABFEHOKPAOZPJ-KGLIPLIRSA-N 1 3 338.883 2.061 10 0 EEAEHO CN(Cc1ccccc1)C[C@H](O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000163900748 539536814 /nfs/dbraw/zinc/53/68/14/539536814.db2.gz LYYNVGBUZIYUJW-NRFANRHFSA-N 1 3 345.531 2.430 10 0 EEAEHO C[C@H](O)C[NH+]1CCC(CNCc2ccnc(-c3ccccc3)n2)CC1 ZINC000069347500 215380336 /nfs/dbraw/zinc/38/03/36/215380336.db2.gz BNWIZAUERQGBFV-INIZCTEOSA-N 1 3 340.471 2.326 10 0 EEAEHO COc1ccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1OC(F)F ZINC000422813458 240241358 /nfs/dbraw/zinc/24/13/58/240241358.db2.gz RZCVQUPSORHQEQ-KGYLQXTDSA-N 1 3 330.375 2.139 10 0 EEAEHO c1ccc(CCN2CCC([NH2+][C@@H](C3CC3)[C@H]3CNCCO3)CC2)cc1 ZINC000422840270 240255091 /nfs/dbraw/zinc/25/50/91/240255091.db2.gz BFTIFLBPTJWXNX-RTWAWAEBSA-N 1 3 343.515 2.050 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000262796196 152319235 /nfs/dbraw/zinc/31/92/35/152319235.db2.gz NMPGBHNVHAXKPN-HFTRVMKXSA-N 1 3 333.451 2.152 10 0 EEAEHO C[C@H]1CCCN(CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000193496409 160182560 /nfs/dbraw/zinc/18/25/60/160182560.db2.gz ZYFIHMWBBQQIEF-KRWDZBQOSA-N 1 3 336.524 2.236 10 0 EEAEHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000247095530 160309703 /nfs/dbraw/zinc/30/97/03/160309703.db2.gz JJLFYLCKADAQIY-ROUUACIJSA-N 1 3 347.478 2.496 10 0 EEAEHO CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000247095530 160309704 /nfs/dbraw/zinc/30/97/04/160309704.db2.gz JJLFYLCKADAQIY-ROUUACIJSA-N 1 3 347.478 2.496 10 0 EEAEHO CCC[NH+](CCC)CCCC(=O)N1CCO[C@@H]2CCN(CC)C[C@@H]21 ZINC000355307363 163139412 /nfs/dbraw/zinc/13/94/12/163139412.db2.gz AFOKQZMHFZJDGQ-ZWKOTPCHSA-N 1 3 339.524 2.210 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278295980 274346210 /nfs/dbraw/zinc/34/62/10/274346210.db2.gz JRGZDUGZXZENEZ-UHFFFAOYSA-N 1 3 345.487 2.231 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000291721758 275333623 /nfs/dbraw/zinc/33/36/23/275333623.db2.gz RBAHLIQYFBFVFA-QFBILLFUSA-N 1 3 329.488 2.355 10 0 EEAEHO Cc1cc2ncn(C[C@H](O)CN3CC[C@@]4(CC[N@@H+](C)C4)C3)c2cc1C ZINC000292063888 275370467 /nfs/dbraw/zinc/37/04/67/275370467.db2.gz CSZFVHONUBNSIT-YLJYHZDGSA-N 1 3 342.487 2.042 10 0 EEAEHO Cc1cc2ncn(C[C@H](O)CN3CC[C@@]4(CC[N@H+](C)C4)C3)c2cc1C ZINC000292063888 275370468 /nfs/dbraw/zinc/37/04/68/275370468.db2.gz CSZFVHONUBNSIT-YLJYHZDGSA-N 1 3 342.487 2.042 10 0 EEAEHO FC(F)(F)C1CCC(NCc2nnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC000333633212 312175657 /nfs/dbraw/zinc/17/56/57/312175657.db2.gz WBMLCODODNURSV-UHFFFAOYSA-N 1 3 331.386 2.482 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000416838830 313330898 /nfs/dbraw/zinc/33/08/98/313330898.db2.gz JGSYEJFPUWKDNT-CGTJXYLNSA-N 1 3 332.492 2.367 10 0 EEAEHO O=C(NCc1ccccc1CN1CCCCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000416905234 313356167 /nfs/dbraw/zinc/35/61/67/313356167.db2.gz QGBWAYXVETYMNC-MJGOQNOKSA-N 1 3 342.487 2.176 10 0 EEAEHO CCn1nncc1CNCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417955247 313666406 /nfs/dbraw/zinc/66/64/06/313666406.db2.gz CXOLYQVNGUEIQI-UHFFFAOYSA-N 1 3 343.475 2.105 10 0 EEAEHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000564907898 319125983 /nfs/dbraw/zinc/12/59/83/319125983.db2.gz SSLXIBPAMLWZGU-GOSISDBHSA-N 1 3 335.467 2.447 10 0 EEAEHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000564907898 319125986 /nfs/dbraw/zinc/12/59/86/319125986.db2.gz SSLXIBPAMLWZGU-GOSISDBHSA-N 1 3 335.467 2.447 10 0 EEAEHO C[C@@H](CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])N1CCC(C)CC1 ZINC000567821328 319423323 /nfs/dbraw/zinc/42/33/23/319423323.db2.gz ZBOQKAHRCPDZPF-LPHOPBHVSA-N 1 3 344.503 2.375 10 0 EEAEHO CCC[NH+]1CCC(NC(=O)c2ccccc2OCCN(C)C)CC1 ZINC000339181798 465129174 /nfs/dbraw/zinc/12/91/74/465129174.db2.gz FKSWTQUWJNVZIE-UHFFFAOYSA-N 1 3 333.476 2.231 10 0 EEAEHO C[N@@H+]1CC[C@H](NCCN2CCN(c3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000552238969 468319771 /nfs/dbraw/zinc/31/97/71/468319771.db2.gz XIMAYQWWGXSBIJ-PCCBWWKXSA-N 1 3 342.531 2.271 10 0 EEAEHO C[N@H+]1CC[C@H](NCCN2CCN(c3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000552238969 468319775 /nfs/dbraw/zinc/31/97/75/468319775.db2.gz XIMAYQWWGXSBIJ-PCCBWWKXSA-N 1 3 342.531 2.271 10 0 EEAEHO CC[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1cnn(C)c1 ZINC000124618784 463443813 /nfs/dbraw/zinc/44/38/13/463443813.db2.gz KEDACHBXFSYJCZ-GOSISDBHSA-N 1 3 333.524 2.411 10 0 EEAEHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](N(C)C)C1)Cc1ccccc1 ZINC000170829565 463716199 /nfs/dbraw/zinc/71/61/99/463716199.db2.gz UZOLTFGKZSSSQQ-MOPGFXCFSA-N 1 3 346.519 2.285 10 0 EEAEHO C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)NCCF ZINC000282964099 463716797 /nfs/dbraw/zinc/71/67/97/463716797.db2.gz ZVOLFGNLFPHZOJ-OWLYRPNTSA-N 1 3 333.451 2.246 10 0 EEAEHO Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])C2CCOCC2)N2CCCC2)cc1 ZINC000261626897 463807571 /nfs/dbraw/zinc/80/75/71/463807571.db2.gz CPCUZQCXWHOORA-MOPGFXCFSA-N 1 3 345.487 2.002 10 0 EEAEHO COCCCN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268928336 463813136 /nfs/dbraw/zinc/81/31/36/463813136.db2.gz WRHFUYUIZFAJKJ-UYAOXDASSA-N 1 3 333.520 2.455 10 0 EEAEHO Cn1cc(-c2nc([C@H]3CCCCCN3CC3CC[NH2+]CC3)no2)cn1 ZINC000261648309 463814888 /nfs/dbraw/zinc/81/48/88/463814888.db2.gz AVDNUYWZDVLWGQ-MRXNPFEDSA-N 1 3 344.463 2.387 10 0 EEAEHO CC(C)(C)[C@@H](O)C[C@@H](CO)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000284353847 464161000 /nfs/dbraw/zinc/16/10/00/464161000.db2.gz MNMJAPWFAMYMKB-PMACEKPBSA-N 1 3 348.531 2.441 10 0 EEAEHO C[C@H](CC(=O)N[C@H](Cc1ccccc1)CN(C)C)[C@@H]1CCC[NH2+]C1 ZINC000237373156 464310918 /nfs/dbraw/zinc/31/09/18/464310918.db2.gz LCDLPYGHSWALSX-BHIYHBOVSA-N 1 3 331.504 2.301 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000175633812 464591020 /nfs/dbraw/zinc/59/10/20/464591020.db2.gz SUHRMFWKAKOMIF-QRQLOZEOSA-N 1 3 344.503 2.385 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC(C)CC2)[C@H](C)C1 ZINC000246527530 464596846 /nfs/dbraw/zinc/59/68/46/464596846.db2.gz VOMXXISUIWPPER-SQNIBIBYSA-N 1 3 338.540 2.479 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC(C)CC2)[C@H](C)C1 ZINC000246527530 464596852 /nfs/dbraw/zinc/59/68/52/464596852.db2.gz VOMXXISUIWPPER-SQNIBIBYSA-N 1 3 338.540 2.479 10 0 EEAEHO CCOC(=O)c1csc(CCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000248683699 464786566 /nfs/dbraw/zinc/78/65/66/464786566.db2.gz FLHILKUUVGRRAK-JHJVBQTASA-N 1 3 325.478 2.181 10 0 EEAEHO CCOC(=O)c1csc(CCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000248683699 464786572 /nfs/dbraw/zinc/78/65/72/464786572.db2.gz FLHILKUUVGRRAK-JHJVBQTASA-N 1 3 325.478 2.181 10 0 EEAEHO CCN1CCC[C@H](Nc2cc(N[C@H]3CCC[N@H+](CC)C3)ncn2)C1 ZINC000249346742 464864655 /nfs/dbraw/zinc/86/46/55/464864655.db2.gz OLZQIMZJABXOKH-HOTGVXAUSA-N 1 3 332.496 2.269 10 0 EEAEHO CCN1CCC[C@H](Nc2cc(N[C@H]3CCC[N@@H+](CC)C3)ncn2)C1 ZINC000249346742 464864659 /nfs/dbraw/zinc/86/46/59/464864659.db2.gz OLZQIMZJABXOKH-HOTGVXAUSA-N 1 3 332.496 2.269 10 0 EEAEHO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000176891956 464876883 /nfs/dbraw/zinc/87/68/83/464876883.db2.gz SMPXZXWIOUJGES-IBGZPJMESA-N 1 3 347.503 2.369 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000305232683 466386636 /nfs/dbraw/zinc/38/66/36/466386636.db2.gz ZDVBBQSANUMODP-SFHVURJKSA-N 1 3 331.504 2.423 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](CO)C2)CC1 ZINC000305232683 466386642 /nfs/dbraw/zinc/38/66/42/466386642.db2.gz ZDVBBQSANUMODP-SFHVURJKSA-N 1 3 331.504 2.423 10 0 EEAEHO C[C@H]1C[C@@H](N(C)C(=O)CCN2CCc3ccccc3C2)CC[N@@H+]1C ZINC000354361378 466506445 /nfs/dbraw/zinc/50/64/45/466506445.db2.gz HFHDKVWNEPXIDZ-LPHOPBHVSA-N 1 3 329.488 2.376 10 0 EEAEHO C[C@H]1C[C@@H](N(C)C(=O)CCN2CCc3ccccc3C2)CC[N@H+]1C ZINC000354361378 466506451 /nfs/dbraw/zinc/50/64/51/466506451.db2.gz HFHDKVWNEPXIDZ-LPHOPBHVSA-N 1 3 329.488 2.376 10 0 EEAEHO Fc1cc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc(F)c1F ZINC000423051087 466690537 /nfs/dbraw/zinc/69/05/37/466690537.db2.gz ZVDJPTCWAZYWNR-UHOFOFEASA-N 1 3 328.378 2.393 10 0 EEAEHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cnccc1N ZINC000423528089 466766878 /nfs/dbraw/zinc/76/68/78/466766878.db2.gz NSSBUMSUBWIVIZ-MRXNPFEDSA-N 1 3 339.487 2.138 10 0 EEAEHO CC(C)N1CCN(C2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)CC1 ZINC000373695986 466891283 /nfs/dbraw/zinc/89/12/83/466891283.db2.gz KGUPLZCDCICELU-HXUWFJFHSA-N 1 3 337.552 2.418 10 0 EEAEHO CC[NH2+]CC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000417949095 466999709 /nfs/dbraw/zinc/99/97/09/466999709.db2.gz UVRNHBIXBMBHLW-RTBURBONSA-N 1 3 344.503 2.463 10 0 EEAEHO CC[NH2+]CC1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000417949092 466999976 /nfs/dbraw/zinc/99/99/76/466999976.db2.gz UVRNHBIXBMBHLW-MOPGFXCFSA-N 1 3 344.503 2.463 10 0 EEAEHO C[C@@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1ccc(OCCN(C)C)cc1 ZINC000424329985 467030990 /nfs/dbraw/zinc/03/09/90/467030990.db2.gz RGKYGNINAHIGJD-CVEARBPZSA-N 1 3 333.476 2.146 10 0 EEAEHO C[C@@H](CCC[NH3+])NC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418047665 467033124 /nfs/dbraw/zinc/03/31/24/467033124.db2.gz UEUIINHJWITDFJ-QFBILLFUSA-N 1 3 332.492 2.468 10 0 EEAEHO C[C@@]1(CNC(=O)NCC2([NH3+])CCC2)CCCN1Cc1ccccc1 ZINC000418045189 467033326 /nfs/dbraw/zinc/03/33/26/467033326.db2.gz OAWCXEACFNHXOQ-SFHVURJKSA-N 1 3 330.476 2.222 10 0 EEAEHO C[C@H]([NH3+])c1ccc(CNC(=O)NCCCNCc2cccnc2)cc1 ZINC000418321563 467092560 /nfs/dbraw/zinc/09/25/60/467092560.db2.gz AWXDJMHVMMDLTM-HNNXBMFYSA-N 1 3 341.459 2.080 10 0 EEAEHO [NH3+]C[C@@H](NC(=O)N[C@@H]1CNCCC1(F)F)c1ccc2ccccc2c1 ZINC000418501859 467121059 /nfs/dbraw/zinc/12/10/59/467121059.db2.gz SVMSMXATYKNGEE-HZPDHXFCSA-N 1 3 348.397 2.136 10 0 EEAEHO O=C(NC1CC([NH+]2CCCCC2)C1)C1C[C@H](c2ccccc2)OC1=O ZINC000377852890 467153459 /nfs/dbraw/zinc/15/34/59/467153459.db2.gz UXVKDKRKOSYLJE-ZGUYJTEBSA-N 1 3 342.439 2.424 10 0 EEAEHO CCC[C@@H](O)CN1CCCC2(CCC[N@H+](C[C@H](O)CCC)C2)C1 ZINC000451041891 467232892 /nfs/dbraw/zinc/23/28/92/467232892.db2.gz BVHPEKCWFBVWDD-PWCSWUJKSA-N 1 3 326.525 2.486 10 0 EEAEHO CCC[C@@H](O)CN1CCCC2(CCC[N@@H+](C[C@H](O)CCC)C2)C1 ZINC000451041891 467232897 /nfs/dbraw/zinc/23/28/97/467232897.db2.gz BVHPEKCWFBVWDD-PWCSWUJKSA-N 1 3 326.525 2.486 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2cc3cccnc3o2)CC[C@@H]1N1CCN(C)CC1 ZINC000449033696 467614405 /nfs/dbraw/zinc/61/44/05/467614405.db2.gz AFJFHVMFPBMHTL-QAPCUYQASA-N 1 3 328.460 2.286 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2cc3cccnc3o2)CC[C@@H]1N1CCN(C)CC1 ZINC000449033696 467614406 /nfs/dbraw/zinc/61/44/06/467614406.db2.gz AFJFHVMFPBMHTL-QAPCUYQASA-N 1 3 328.460 2.286 10 0 EEAEHO COCCN1CC[C@H]([NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449156947 467621244 /nfs/dbraw/zinc/62/12/44/467621244.db2.gz UEMADJGTKHLATE-RXVVDRJESA-N 1 3 345.531 2.392 10 0 EEAEHO COCCN1CC[C@H](NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449156947 467621245 /nfs/dbraw/zinc/62/12/45/467621245.db2.gz UEMADJGTKHLATE-RXVVDRJESA-N 1 3 345.531 2.392 10 0 EEAEHO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C(=O)NC ZINC000449767879 467712188 /nfs/dbraw/zinc/71/21/88/467712188.db2.gz BGBRPSDBNUYHCA-YDZRNGNQSA-N 1 3 329.488 2.401 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2C[C@H](O)C2(C)C)CC1 ZINC000494422147 468055001 /nfs/dbraw/zinc/05/50/01/468055001.db2.gz BEBKDECLNKUANP-MOPGFXCFSA-N 1 3 331.504 2.468 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3C[C@H]3C3CC3)CC2)CC1 ZINC000516980375 468062585 /nfs/dbraw/zinc/06/25/85/468062585.db2.gz WKWNAXLCHXKSFJ-HKUYNNGSSA-N 1 3 333.520 2.345 10 0 EEAEHO CC(C)N(Cc1cncc(C[N@H+](C[C@@H](C)O)C(C)C)c1)C[C@@H](C)O ZINC000517010752 468064148 /nfs/dbraw/zinc/06/41/48/468064148.db2.gz CNYJVLZTKIDFAA-IAGOWNOFSA-N 1 3 337.508 2.264 10 0 EEAEHO CC(C)N(Cc1cncc(C[N@@H+](C[C@@H](C)O)C(C)C)c1)C[C@@H](C)O ZINC000517010752 468064150 /nfs/dbraw/zinc/06/41/50/468064150.db2.gz CNYJVLZTKIDFAA-IAGOWNOFSA-N 1 3 337.508 2.264 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)CCCc1ccc(F)c(F)c1 ZINC000532287392 468108159 /nfs/dbraw/zinc/10/81/59/468108159.db2.gz LSGYTWAQYFYQLO-UHFFFAOYSA-N 1 3 341.446 2.239 10 0 EEAEHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@H]1n1cccn1 ZINC000562685702 469036150 /nfs/dbraw/zinc/03/61/50/469036150.db2.gz MABFZPBYWNQLSI-IPMKNSEASA-N 1 3 341.459 2.255 10 0 EEAEHO Cc1cnc(CCN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C)c1 ZINC000563061412 469156207 /nfs/dbraw/zinc/15/62/07/469156207.db2.gz IBHRZPMEERKRPB-ICSRJNTNSA-N 1 3 330.520 2.199 10 0 EEAEHO NC[C@@H]1c2ccccc2CCN1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000563093484 469167895 /nfs/dbraw/zinc/16/78/95/469167895.db2.gz SEIVDBYJWCKCOB-QZTJIDSGSA-N 1 3 330.476 2.162 10 0 EEAEHO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCCN(C)C1)Cc1ccccc1 ZINC000618555497 469387735 /nfs/dbraw/zinc/38/77/35/469387735.db2.gz ZRHZWZVYDCGFMK-RTBURBONSA-N 1 3 346.519 2.333 10 0 EEAEHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000604106357 469457579 /nfs/dbraw/zinc/45/75/79/469457579.db2.gz LJJPTPHASWIVPN-MSOLQXFVSA-N 1 3 330.476 2.044 10 0 EEAEHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000604106357 469457583 /nfs/dbraw/zinc/45/75/83/469457583.db2.gz LJJPTPHASWIVPN-MSOLQXFVSA-N 1 3 330.476 2.044 10 0 EEAEHO Cn1cc(CNCCOCCC[NH3+])c(-c2cc3ccccc3o2)n1 ZINC000629399548 469531562 /nfs/dbraw/zinc/53/15/62/469531562.db2.gz ULZHWBCEXTYXDC-UHFFFAOYSA-N 1 3 328.416 2.288 10 0 EEAEHO C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000629520257 469572018 /nfs/dbraw/zinc/57/20/18/469572018.db2.gz DUJGXPLGQPUXPE-ZDUSSCGKSA-N 1 3 332.448 2.129 10 0 EEAEHO CSc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)o1 ZINC000617503258 469700725 /nfs/dbraw/zinc/70/07/25/469700725.db2.gz BHUHQXVZHBRLCB-LBPRGKRZSA-N 1 3 327.494 2.312 10 0 EEAEHO CSc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)o1 ZINC000617503258 469700728 /nfs/dbraw/zinc/70/07/28/469700728.db2.gz BHUHQXVZHBRLCB-LBPRGKRZSA-N 1 3 327.494 2.312 10 0 EEAEHO C[C@H](CNC(=O)NC[C@@H]1CCN1C1CCCC1)C[NH+]1CCCCC1 ZINC000623715044 469742035 /nfs/dbraw/zinc/74/20/35/469742035.db2.gz RKTHFKMOVDZMDE-AEFFLSMTSA-N 1 3 336.524 2.425 10 0 EEAEHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)N(C)C)cc1 ZINC000627038069 469798982 /nfs/dbraw/zinc/79/89/82/469798982.db2.gz XNQQBBBHYPINFJ-QGTPRVQTSA-N 1 3 348.491 2.126 10 0 EEAEHO CSc1ccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)N(C)C)cc1 ZINC000627044530 469800941 /nfs/dbraw/zinc/80/09/41/469800941.db2.gz ABTLPCGYNYSGLB-APHBMKBZSA-N 1 3 336.505 2.061 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CC[N@@H+]1C ZINC000631632268 470175484 /nfs/dbraw/zinc/17/54/84/470175484.db2.gz OUCXOHYFKDJRRJ-RBUKOAKNSA-N 1 3 345.487 2.312 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CC[N@H+]1C ZINC000631632268 470175485 /nfs/dbraw/zinc/17/54/85/470175485.db2.gz OUCXOHYFKDJRRJ-RBUKOAKNSA-N 1 3 345.487 2.312 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)cc(N)c1 ZINC000632969446 470302560 /nfs/dbraw/zinc/30/25/60/470302560.db2.gz HARHLNVJKFYLKC-SFHVURJKSA-N 1 3 347.507 2.457 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)cc(N)c1 ZINC000632969446 470302565 /nfs/dbraw/zinc/30/25/65/470302565.db2.gz HARHLNVJKFYLKC-SFHVURJKSA-N 1 3 347.507 2.457 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CN1Cc1ccccc1 ZINC000634770059 470303797 /nfs/dbraw/zinc/30/37/97/470303797.db2.gz YRYPEIFFXXFVFF-QEEHTWDDSA-N 1 3 327.472 2.155 10 0 EEAEHO CCC[NH+]1CCC(CNC(=O)N2CCc3ccccc3[C@H]2CN)CC1 ZINC000646186646 470558531 /nfs/dbraw/zinc/55/85/31/470558531.db2.gz CXOBNBDEFOKSOX-LJQANCHMSA-N 1 3 344.503 2.376 10 0 EEAEHO CN(Cc1ccccc1)C[C@@H](O)CN1CCC(C)([NH+]2CCCC2)CC1 ZINC000639980687 470743696 /nfs/dbraw/zinc/74/36/96/470743696.db2.gz AFLMENDXVKSCSZ-HXUWFJFHSA-N 1 3 345.531 2.430 10 0 EEAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ncccc1C(F)(F)F ZINC000657574069 471173446 /nfs/dbraw/zinc/17/34/46/471173446.db2.gz YENJLAHWEOMQBO-ZDUSSCGKSA-N 1 3 332.414 2.462 10 0 EEAEHO C[C@@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)C1 ZINC000654851975 471203301 /nfs/dbraw/zinc/20/33/01/471203301.db2.gz NSOXJSLDWSOWJY-MSOLQXFVSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)C1 ZINC000654851975 471203305 /nfs/dbraw/zinc/20/33/05/471203305.db2.gz NSOXJSLDWSOWJY-MSOLQXFVSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000654858149 471205509 /nfs/dbraw/zinc/20/55/09/471205509.db2.gz CVPFDQJCNQBRNU-ZIFCJYIRSA-N 1 3 329.488 2.355 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000654858149 471205514 /nfs/dbraw/zinc/20/55/14/471205514.db2.gz CVPFDQJCNQBRNU-ZIFCJYIRSA-N 1 3 329.488 2.355 10 0 EEAEHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCSCC2)c1 ZINC000657869504 471243092 /nfs/dbraw/zinc/24/30/92/471243092.db2.gz XJFNNRWVSOHNKS-QGZVFWFLSA-N 1 3 335.517 2.353 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)C(F)F)CC2)CC1 ZINC000655040999 471255902 /nfs/dbraw/zinc/25/59/02/471255902.db2.gz QNMWQOPRAPQSRH-UHFFFAOYSA-N 1 3 331.451 2.343 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000655246147 471291799 /nfs/dbraw/zinc/29/17/99/471291799.db2.gz APUMTPHZAWOKTD-LMMKCTJWSA-N 1 3 347.478 2.494 10 0 EEAEHO CCN(C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)[C@@H]1CCN(C)C1 ZINC000663620935 471450932 /nfs/dbraw/zinc/45/09/32/471450932.db2.gz SLHDQQKQWZEAIL-QZTJIDSGSA-N 1 3 338.540 2.479 10 0 EEAEHO CCN(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCN(CC)C1 ZINC000663633270 471455467 /nfs/dbraw/zinc/45/54/67/471455467.db2.gz DFBPXWHBONASRG-KURKYZTESA-N 1 3 338.540 2.480 10 0 EEAEHO CCC[NH+]1CCC(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659034566 471477963 /nfs/dbraw/zinc/47/79/63/471477963.db2.gz OHZYZRNWSZNDCJ-GOSISDBHSA-N 1 3 346.475 2.343 10 0 EEAEHO CN1CCC[C@H](NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000669403188 471480138 /nfs/dbraw/zinc/48/01/38/471480138.db2.gz ODHSIRBVSYHHJS-ROUUACIJSA-N 1 3 326.444 2.233 10 0 EEAEHO CO[C@](C)(CO)CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000655785667 471481825 /nfs/dbraw/zinc/48/18/25/471481825.db2.gz MUZBZTGNRGPQHX-WTGUMLROSA-N 1 3 332.488 2.274 10 0 EEAEHO CO[C@](C)(CO)CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000655785667 471481828 /nfs/dbraw/zinc/48/18/28/471481828.db2.gz MUZBZTGNRGPQHX-WTGUMLROSA-N 1 3 332.488 2.274 10 0 EEAEHO CO[C@](C)(CO)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000655785667 471481830 /nfs/dbraw/zinc/48/18/30/471481830.db2.gz MUZBZTGNRGPQHX-WTGUMLROSA-N 1 3 332.488 2.274 10 0 EEAEHO O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000653166138 471515852 /nfs/dbraw/zinc/51/58/52/471515852.db2.gz ZBKRHZADSVVBQN-LWYYNNOASA-N 1 3 339.483 2.250 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000663813654 471530440 /nfs/dbraw/zinc/53/04/40/471530440.db2.gz WNIDCZKJSBHPQY-JQHSSLGASA-N 1 3 332.492 2.114 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000663813654 471530444 /nfs/dbraw/zinc/53/04/44/471530444.db2.gz WNIDCZKJSBHPQY-JQHSSLGASA-N 1 3 332.492 2.114 10 0 EEAEHO CC[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC[C@@H]1[NH3+] ZINC000669545843 471544826 /nfs/dbraw/zinc/54/48/26/471544826.db2.gz FEMPCOZVCVVKMW-BZZMCLGOSA-N 1 3 330.476 2.201 10 0 EEAEHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000660959843 471566943 /nfs/dbraw/zinc/56/69/43/471566943.db2.gz RECFKEHODXCZSL-BZSNNMDCSA-N 1 3 330.476 2.215 10 0 EEAEHO CCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000660959843 471566949 /nfs/dbraw/zinc/56/69/49/471566949.db2.gz RECFKEHODXCZSL-BZSNNMDCSA-N 1 3 330.476 2.215 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000659443339 471631634 /nfs/dbraw/zinc/63/16/34/471631634.db2.gz ZUHOONMDYKAHRF-KBAYOESNSA-N 1 3 332.492 2.495 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000659482706 471650552 /nfs/dbraw/zinc/65/05/52/471650552.db2.gz PUNGMXQWTXWQQT-KBAYOESNSA-N 1 3 332.492 2.180 10 0 EEAEHO CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccncc1 ZINC000664207880 471679255 /nfs/dbraw/zinc/67/92/55/471679255.db2.gz HXUPJMDGYCIPFK-RDJZCZTQSA-N 1 3 335.496 2.104 10 0 EEAEHO CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccncc1 ZINC000664207880 471679259 /nfs/dbraw/zinc/67/92/59/471679259.db2.gz HXUPJMDGYCIPFK-RDJZCZTQSA-N 1 3 335.496 2.104 10 0 EEAEHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000659606833 471697844 /nfs/dbraw/zinc/69/78/44/471697844.db2.gz VWTGPJUNNUQHAB-LPHOPBHVSA-N 1 3 344.503 2.375 10 0 EEAEHO C[C@@]12COC[C@]1(C)CN(C/C=C\C[N@H+]1C[C@]3(C)COC[C@]3(C)C1)C2 ZINC000661492866 471777492 /nfs/dbraw/zinc/77/74/92/471777492.db2.gz RUOIRLGXXVJFPH-DQTQQJQMSA-N 1 3 334.504 2.259 10 0 EEAEHO C[C@@]12COC[C@]1(C)CN(C/C=C\C[N@@H+]1C[C@]3(C)COC[C@]3(C)C1)C2 ZINC000661492866 471777496 /nfs/dbraw/zinc/77/74/96/471777496.db2.gz RUOIRLGXXVJFPH-DQTQQJQMSA-N 1 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EEAEHO C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)[NH2+]2 ZINC000925674185 684808043 /nfs/dbraw/zinc/80/80/43/684808043.db2.gz RMNRXDWKOOKBJU-AHDPXTMNSA-N 1 3 347.425 2.439 10 0 EEAEHO CC[C@@H](C[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1)OC ZINC001485683050 1191896265 /nfs/dbraw/zinc/89/62/65/1191896265.db2.gz FAYRYHLADWUUPR-ULQDDVLXSA-N 1 3 339.524 2.160 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCOC(C)C)C1 ZINC001266825553 1177498644 /nfs/dbraw/zinc/49/86/44/1177498644.db2.gz GRYIITPEQFHRDK-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cccc(OCC[NH2+][C@H](C)CNC(=O)C(C)(C)N2CCCC2)c1 ZINC001266960211 1177910776 /nfs/dbraw/zinc/91/07/76/1177910776.db2.gz FQYFSDILMILOLN-QGZVFWFLSA-N 1 3 347.503 2.343 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001266995608 1178053499 /nfs/dbraw/zinc/05/34/99/1178053499.db2.gz VMADJEKUGCYJOY-UKRRQHHQSA-N 1 3 338.883 2.204 10 0 EEAEHO Cc1noc(C)c1C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCN1C ZINC001267163215 1178365553 /nfs/dbraw/zinc/36/55/53/1178365553.db2.gz OGCQWEWIAHFTJR-SJLPKXTDSA-N 1 3 348.491 2.246 10 0 EEAEHO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCN1C ZINC001267163215 1178365561 /nfs/dbraw/zinc/36/55/61/1178365561.db2.gz OGCQWEWIAHFTJR-SJLPKXTDSA-N 1 3 348.491 2.246 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)CC[NH2+]CCc1ccc(F)c(F)c1)N(C)C ZINC001267459582 1179048509 /nfs/dbraw/zinc/04/85/09/1179048509.db2.gz WVLJYSRVFVHHNZ-QGZVFWFLSA-N 1 3 341.446 2.142 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([C@H](C)[NH2+]CCOC2CCC2)CC1 ZINC001267494874 1179174266 /nfs/dbraw/zinc/17/42/66/1179174266.db2.gz FNKRNGHNQORLHN-INIZCTEOSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1ncccc1CNCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001481302376 1180962985 /nfs/dbraw/zinc/96/29/85/1180962985.db2.gz LOOCXJULLWOWBY-SJLPKXTDSA-N 1 3 332.492 2.058 10 0 EEAEHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CCCC1)c1ccc2c(c1)CCC2 ZINC001481314673 1181009327 /nfs/dbraw/zinc/00/93/27/1181009327.db2.gz JWBJFXQDJYKJEZ-MRXNPFEDSA-N 1 3 329.488 2.380 10 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/nfs/dbraw/zinc/29/27/59/1183292759.db2.gz ZJUFSSFPVDIWTA-LJQANCHMSA-N 1 3 331.504 2.458 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1cc(F)cc(F)c1)N(C)C ZINC001268838454 1183754611 /nfs/dbraw/zinc/75/46/11/1183754611.db2.gz AWVHPVITMNSGJP-QGZVFWFLSA-N 1 3 341.446 2.489 10 0 EEAEHO CC[C@@H](C(=O)NC1(C[NH2+]CC[C@H]2CCCCO2)CCCC1)N(C)C ZINC001269588124 1184413917 /nfs/dbraw/zinc/41/39/17/1184413917.db2.gz LGIVMDXJNVGPNH-SJORKVTESA-N 1 3 339.524 2.304 10 0 EEAEHO CC[C@@H](C(=O)NC1(C[NH2+]CC[C@@H]2CCCCO2)CCCC1)N(C)C ZINC001269588122 1184414064 /nfs/dbraw/zinc/41/40/64/1184414064.db2.gz LGIVMDXJNVGPNH-IRXDYDNUSA-N 1 3 339.524 2.304 10 0 EEAEHO Cc1noc(C)c1C[NH2+]CC[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001269797855 1184626771 /nfs/dbraw/zinc/62/67/71/1184626771.db2.gz DFBZVYIGIZYYOG-QGZVFWFLSA-N 1 3 348.491 2.106 10 0 EEAEHO C[C@@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001482329990 1185412111 /nfs/dbraw/zinc/41/21/11/1185412111.db2.gz GEWOTRSVMJMMAS-WGDYAQENSA-N 1 3 329.488 2.478 10 0 EEAEHO C[C@H]([NH2+]CCCF)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001482479881 1186055959 /nfs/dbraw/zinc/05/59/59/1186055959.db2.gz KXLCEYVBVTXGGH-IRXDYDNUSA-N 1 3 327.488 2.295 10 0 EEAEHO CN(CC[N@H+](C)CC[C@H]1CC1(Cl)Cl)C(=O)[C@@H]1CCCN1C ZINC001271977964 1186747559 /nfs/dbraw/zinc/74/75/59/1186747559.db2.gz WHHWHVIALYAUQE-STQMWFEESA-N 1 3 336.307 2.055 10 0 EEAEHO CN(CC[N@@H+](C)CC[C@H]1CC1(Cl)Cl)C(=O)[C@@H]1CCCN1C ZINC001271977964 1186747565 /nfs/dbraw/zinc/74/75/65/1186747565.db2.gz WHHWHVIALYAUQE-STQMWFEESA-N 1 3 336.307 2.055 10 0 EEAEHO COCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001272035433 1187121771 /nfs/dbraw/zinc/12/17/71/1187121771.db2.gz WCACPOVIPWVWQE-FGTMMUONSA-N 1 3 339.524 2.065 10 0 EEAEHO COCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001272035433 1187121775 /nfs/dbraw/zinc/12/17/75/1187121775.db2.gz WCACPOVIPWVWQE-FGTMMUONSA-N 1 3 339.524 2.065 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)[C@@H](C[NH2+]CCc2ccccc2)C2CC2)C1 ZINC001485826161 1193467979 /nfs/dbraw/zinc/46/79/79/1193467979.db2.gz IYASVIKPKTWLER-PXNSSMCTSA-N 1 3 343.515 2.398 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)CN1CC[C@@H](C)C1 ZINC001482871543 1187791375 /nfs/dbraw/zinc/79/13/75/1187791375.db2.gz PEIKJPJQQJPDEO-KGLIPLIRSA-N 1 3 339.430 2.291 10 0 EEAEHO Cc1nocc1CN1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001272227229 1188433356 /nfs/dbraw/zinc/43/33/56/1188433356.db2.gz UPEMAAFUVNYFFJ-SJLPKXTDSA-N 1 3 348.491 2.138 10 0 EEAEHO Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)c(C)n1 ZINC001272845205 1193574718 /nfs/dbraw/zinc/57/47/18/1193574718.db2.gz PVKSAQJPYPFCBM-QAPCUYQASA-N 1 3 334.508 2.269 10 0 EEAEHO C[C@@H](C[N@H+](C)Cc1cccc(N(C)C)c1)NC(=O)CN(C)C1CCC1 ZINC001483347864 1190383844 /nfs/dbraw/zinc/38/38/44/1190383844.db2.gz OKBCPURFRGYDJQ-INIZCTEOSA-N 1 3 346.519 2.173 10 0 EEAEHO C[C@@H](C[N@@H+](C)Cc1cccc(N(C)C)c1)NC(=O)CN(C)C1CCC1 ZINC001483347864 1190383850 /nfs/dbraw/zinc/38/38/50/1190383850.db2.gz OKBCPURFRGYDJQ-INIZCTEOSA-N 1 3 346.519 2.173 10 0 EEAEHO Cc1nn(C(C)C)cc1CN[C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001486122656 1193688248 /nfs/dbraw/zinc/68/82/48/1193688248.db2.gz SYMZLNJZTPEXMB-QAPCUYQASA-N 1 3 349.523 2.193 10 0 EEAEHO Cc1cccc(CCC[NH2+][C@@H]2C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001486124509 1193688663 /nfs/dbraw/zinc/68/86/63/1193688663.db2.gz QNYRITSSXBVDLE-VQIMIIECSA-N 1 3 340.471 2.472 10 0 EEAEHO C[C@@H]1C[C@@H](NCc2cccnc2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001486139107 1193693327 /nfs/dbraw/zinc/69/33/27/1193693327.db2.gz ZBQDNWZVUZLTAX-IEBWSBKVSA-N 1 3 344.503 2.427 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NCC2(NCc3ccc4cc[nH]c4c3)CC2)C1 ZINC001483784403 1191026520 /nfs/dbraw/zinc/02/65/20/1191026520.db2.gz SMYBWHYFHKBJPD-MRXNPFEDSA-N 1 3 340.471 2.248 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NCC2(NCc3ccc4cc[nH]c4c3)CC2)C1 ZINC001483784403 1191026524 /nfs/dbraw/zinc/02/65/24/1191026524.db2.gz SMYBWHYFHKBJPD-MRXNPFEDSA-N 1 3 340.471 2.248 10 0 EEAEHO CC[C@H](F)CN1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001483845052 1191080339 /nfs/dbraw/zinc/08/03/39/1191080339.db2.gz FTFINJYCZZOARI-DOTOQJQBSA-N 1 3 325.472 2.001 10 0 EEAEHO CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CC2CCOCC2)C1)N(CC)CC ZINC001484058115 1191180969 /nfs/dbraw/zinc/18/09/69/1191180969.db2.gz PKGQGKSQXPLECV-IEBWSBKVSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@H](C(=O)N[C@]1(C)CC[N@@H+](CC2CCOCC2)C1)N(CC)CC ZINC001484058115 1191180971 /nfs/dbraw/zinc/18/09/71/1191180971.db2.gz PKGQGKSQXPLECV-IEBWSBKVSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1([NH2+]CC2CCCCC2)CCOCC1 ZINC001484191398 1191262770 /nfs/dbraw/zinc/26/27/70/1191262770.db2.gz QTRJZEYQULHZHU-UHFFFAOYSA-N 1 3 339.524 2.162 10 0 EEAEHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]C/C=C/c1ccccc1 ZINC001484379137 1191321544 /nfs/dbraw/zinc/32/15/44/1191321544.db2.gz ZHPPPGWGAWNHHZ-QWYBNYMASA-N 1 3 338.455 2.350 10 0 EEAEHO Cc1nsc(C)c1CN1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001484722908 1191484204 /nfs/dbraw/zinc/48/42/04/1191484204.db2.gz KLCKTGILRNKEGI-OAHLLOKOSA-N 1 3 338.521 2.182 10 0 EEAEHO C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@H](C)NCc1cccnc1 ZINC001485212517 1191695271 /nfs/dbraw/zinc/69/52/71/1191695271.db2.gz SVUWUHXKVYAEJK-JKSUJKDBSA-N 1 3 344.503 2.186 10 0 EEAEHO Cc1cc(C)cc(OCCN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001485386088 1191774149 /nfs/dbraw/zinc/77/41/49/1191774149.db2.gz TYBKXHUMHSDQSN-QZTJIDSGSA-N 1 3 347.503 2.070 10 0 EEAEHO Cc1cc(C)cc(OCCN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001485386088 1191774151 /nfs/dbraw/zinc/77/41/51/1191774151.db2.gz TYBKXHUMHSDQSN-QZTJIDSGSA-N 1 3 347.503 2.070 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccnc1C ZINC001410501877 1198056967 /nfs/dbraw/zinc/05/69/67/1198056967.db2.gz HZTMHRCGWMGXLD-CRAIPNDOSA-N 1 3 332.492 2.201 10 0 EEAEHO C[C@@](O)(C[C@H](O)CNC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000872208005 1198086359 /nfs/dbraw/zinc/08/63/59/1198086359.db2.gz MKHNUOVSCDPADN-PWRODBHTSA-N 1 3 346.515 2.400 10 0 EEAEHO C[C@@](O)(C[C@H](O)CNC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000872208005 1198086367 /nfs/dbraw/zinc/08/63/67/1198086367.db2.gz MKHNUOVSCDPADN-PWRODBHTSA-N 1 3 346.515 2.400 10 0 EEAEHO CCOCCCN1CC[C@H]([NH2+]Cc2cnc3c(cnn3C)c2)[C@@H](C)C1 ZINC000865465477 1198232763 /nfs/dbraw/zinc/23/27/63/1198232763.db2.gz AXBMOWPBUPQREN-YJBOKZPZSA-N 1 3 345.491 2.195 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@H](C)C1CCN(CCC(F)(F)F)CC1 ZINC001411235218 1198946636 /nfs/dbraw/zinc/94/66/36/1198946636.db2.gz LZRLAODDKZQGQO-CYBMUJFWSA-N 1 3 337.430 2.497 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@H](C)C1CCN(CCC(F)(F)F)CC1 ZINC001411235218 1198946639 /nfs/dbraw/zinc/94/66/39/1198946639.db2.gz LZRLAODDKZQGQO-CYBMUJFWSA-N 1 3 337.430 2.497 10 0 EEAEHO CCOC(=O)CC(C)(C)C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000813338041 1198968784 /nfs/dbraw/zinc/96/87/84/1198968784.db2.gz XUOFCEKQXGAHKF-HNNXBMFYSA-N 1 3 326.481 2.056 10 0 EEAEHO C[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000810177380 1199331506 /nfs/dbraw/zinc/33/15/06/1199331506.db2.gz QHDACLKMBYEOTG-MAUKXSAKSA-N 1 3 327.488 2.437 10 0 EEAEHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810182503 1199337170 /nfs/dbraw/zinc/33/71/70/1199337170.db2.gz VCKGLRCXIYDCCV-FXAWDEMLSA-N 1 3 349.494 2.488 10 0 EEAEHO C[NH+]1CCC([C@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)CC1 ZINC000810651427 1199645195 /nfs/dbraw/zinc/64/51/95/1199645195.db2.gz MBLMNSWWGJYTEL-LPHOPBHVSA-N 1 3 339.499 2.389 10 0 EEAEHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810711083 1199689794 /nfs/dbraw/zinc/68/97/94/1199689794.db2.gz ZRHROWFOXRSZAR-KBXCAEBGSA-N 1 3 327.488 2.436 10 0 EEAEHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810711083 1199689797 /nfs/dbraw/zinc/68/97/97/1199689797.db2.gz ZRHROWFOXRSZAR-KBXCAEBGSA-N 1 3 327.488 2.436 10 0 EEAEHO CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868186378 1201759707 /nfs/dbraw/zinc/75/97/07/1201759707.db2.gz RKZIODUGLADZLV-FGTMMUONSA-N 1 3 346.475 2.076 10 0 EEAEHO CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/CNCc1cccnc1C ZINC001274608686 1205095688 /nfs/dbraw/zinc/09/56/88/1205095688.db2.gz HCIVVVDROUDSCV-QWNKOJSDSA-N 1 3 330.476 2.026 10 0 EEAEHO CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C/CNCc1cccnc1C ZINC001274608686 1205095691 /nfs/dbraw/zinc/09/56/91/1205095691.db2.gz HCIVVVDROUDSCV-QWNKOJSDSA-N 1 3 330.476 2.026 10 0 EEAEHO CNC(=O)c1cccc(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC000925521202 1206122537 /nfs/dbraw/zinc/12/25/37/1206122537.db2.gz IYDKGQCWICWXPE-RTBURBONSA-N 1 3 329.488 2.347 10 0 EEAEHO Cc1cccc(OC[C@H](O)CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925571296 1206130066 /nfs/dbraw/zinc/13/00/66/1206130066.db2.gz ZCZHNMKDDIUVRE-YZGWKJHDSA-N 1 3 332.488 2.493 10 0 EEAEHO [NH3+][C@@H]1C[C@@H](NC[C@H]2CSCCN2Cc2ccccc2)C12CCC2 ZINC000925650139 1206139964 /nfs/dbraw/zinc/13/99/64/1206139964.db2.gz MSMUZJHLVZVVJY-RCCFBDPRSA-N 1 3 331.529 2.464 10 0 EEAEHO CC1(C)[C@@H](NC[C@H](CO)Cc2ccc(F)c(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925658548 1206141079 /nfs/dbraw/zinc/14/10/79/1206141079.db2.gz PHBLZCKZKLEXCP-KNCCTNLNSA-N 1 3 338.442 2.482 10 0 EEAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000925658548 1206141081 /nfs/dbraw/zinc/14/10/81/1206141081.db2.gz PHBLZCKZKLEXCP-KNCCTNLNSA-N 1 3 338.442 2.482 10 0 EEAEHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H]2CCN(C(=O)COc3ccccc3)C2)C1 ZINC000925665864 1206141500 /nfs/dbraw/zinc/14/15/00/1206141500.db2.gz NAVDBUPTFSKDMS-BRWVUGGUSA-N 1 3 345.487 2.162 10 0 EEAEHO CC1(C)C[C@@H]([NH3+])C[C@@H](N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)C1 ZINC000925734108 1206147824 /nfs/dbraw/zinc/14/78/24/1206147824.db2.gz NJVQMATYKFGZRN-MPTYRVRUSA-N 1 3 336.501 2.487 10 0 EEAEHO CCc1nc2c(s1)[C@@H](NC[C@@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCC2 ZINC000925854382 1206161315 /nfs/dbraw/zinc/16/13/15/1206161315.db2.gz RKMOKNIDDSEBQR-STQMWFEESA-N 1 3 349.500 2.358 10 0 EEAEHO CC(C)[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cn1 ZINC000925854333 1206161442 /nfs/dbraw/zinc/16/14/42/1206161442.db2.gz IVIBOSKQJANLCV-HOCLYGCPSA-N 1 3 335.423 2.193 10 0 EEAEHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCCOC1CCOCC1 ZINC000925878775 1206163487 /nfs/dbraw/zinc/16/34/87/1206163487.db2.gz ZMIROZLJFIQLPJ-HKUYNNGSSA-N 1 3 332.444 2.028 10 0 EEAEHO C[NH+](C)CC[C@@H](NC(=O)Nc1ccc2c(c1)CNC2)c1cccnc1 ZINC000926165160 1206200372 /nfs/dbraw/zinc/20/03/72/1206200372.db2.gz PHEQQOKERPEUKD-GOSISDBHSA-N 1 3 339.443 2.499 10 0 EEAEHO CC1(C)CNC(=O)[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000926725541 1206240157 /nfs/dbraw/zinc/24/01/57/1206240157.db2.gz KBGRICQICXEZGZ-ZWKOTPCHSA-N 1 3 341.499 2.403 10 0 EEAEHO CCN1C[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)OC1=O ZINC000690619520 1206555824 /nfs/dbraw/zinc/55/58/24/1206555824.db2.gz BVLPAYMOEOSIEH-NJAFHUGGSA-N 1 3 331.460 2.327 10 0 EEAEHO CCN1C[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)OC1=O ZINC000690619520 1206555825 /nfs/dbraw/zinc/55/58/25/1206555825.db2.gz BVLPAYMOEOSIEH-NJAFHUGGSA-N 1 3 331.460 2.327 10 0 EEAEHO Cc1nocc1CNCCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001276333963 1215754396 /nfs/dbraw/zinc/75/43/96/1215754396.db2.gz XELADBCGDNLSSV-RDJZCZTQSA-N 1 3 336.480 2.042 10 0 EEAEHO C[C@H](C(=O)NC[C@H]1CCN(C/C=C\Cl)C1)[NH+]1CCCCCC1 ZINC001493240152 1249526987 /nfs/dbraw/zinc/52/69/87/1249526987.db2.gz IIRVRYBOFZOZGH-AJKQWTFCSA-N 1 3 327.900 2.442 10 0 EEAEHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CCc1c(F)cccc1Cl)C2 ZINC000903492161 1240654994 /nfs/dbraw/zinc/65/49/94/1240654994.db2.gz KSYLVSGMXNYMAG-JKDFXYPNSA-N 1 3 340.826 2.234 10 0 EEAEHO C[C@@H]1CN(CC(=O)Nc2ccc(OC(F)F)cc2)C[C@H]1CC[NH3+] ZINC000903495112 1240666629 /nfs/dbraw/zinc/66/66/29/1240666629.db2.gz VSSYNFIVDKKKKY-VXGBXAGGSA-N 1 3 327.375 2.143 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CC[C@@H]3CC3(Cl)Cl)C2)CCC1 ZINC001491025298 1258582768 /nfs/dbraw/zinc/58/27/68/1258582768.db2.gz BXASGGBXZVZKOH-UPJWGTAASA-N 1 3 348.318 2.291 10 0 EEAEHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CNC/C(Cl)=C/Cl)C2)C1 ZINC001491172068 1258741847 /nfs/dbraw/zinc/74/18/47/1258741847.db2.gz AVHGRWWOWUGJHY-WZCIPHSXSA-N 1 3 348.318 2.475 10 0 EEAEHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](CNC/C(Cl)=C/Cl)C2)C1 ZINC001491172068 1258741851 /nfs/dbraw/zinc/74/18/51/1258741851.db2.gz AVHGRWWOWUGJHY-WZCIPHSXSA-N 1 3 348.318 2.475 10 0 EEAEHO CO[C@@H](C[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1)C1CCC1 ZINC001490928019 1299584138 /nfs/dbraw/zinc/58/41/38/1299584138.db2.gz IGKPQNSPEINXMN-ULQDDVLXSA-N 1 3 339.524 2.016 10 0 EEAEHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCCNCc1cc(C2CC2)no1 ZINC001276404613 1315585280 /nfs/dbraw/zinc/58/52/80/1315585280.db2.gz JXWWOZJTQBIWNI-SFHVURJKSA-N 1 3 348.491 2.365 10 0 EEAEHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCCNCc1cc(C2CC2)no1 ZINC001276404613 1315585282 /nfs/dbraw/zinc/58/52/82/1315585282.db2.gz JXWWOZJTQBIWNI-SFHVURJKSA-N 1 3 348.491 2.365 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001265626185 1323277872 /nfs/dbraw/zinc/27/78/72/1323277872.db2.gz PQZCAQICXHLDOZ-SBLNNXNXSA-N 1 3 338.455 2.494 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001266031338 1323582367 /nfs/dbraw/zinc/58/23/67/1323582367.db2.gz APWQSORNQQCQIT-QPGLYAHGSA-N 1 3 329.488 2.480 10 0 EEAEHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001266154562 1323724181 /nfs/dbraw/zinc/72/41/81/1323724181.db2.gz CDCUWMVANNHTBF-TZMCWYRMSA-N 1 3 326.872 2.060 10 0 EEAEHO CCC1([NH2+]CCCOC)CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001281036908 1324734420 /nfs/dbraw/zinc/73/44/20/1324734420.db2.gz OEXVWMJKQIUEKU-UHFFFAOYSA-N 1 3 341.540 2.362 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001492129589 1330982715 /nfs/dbraw/zinc/98/27/15/1330982715.db2.gz QKLKZJNZNBLAPX-UKRRQHHQSA-N 1 3 331.451 2.391 10 0 EEAEHO CC[C@@H](C(=O)N1CC2(C[C@@H]1C)CC[NH+](CCCOC)CC2)N(C)C ZINC001316672190 1331165006 /nfs/dbraw/zinc/16/50/06/1331165006.db2.gz ZQLJZTYXDHUGPC-IRXDYDNUSA-N 1 3 339.524 2.066 10 0 EEAEHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(Cl)nc1 ZINC001316908370 1331974724 /nfs/dbraw/zinc/97/47/24/1331974724.db2.gz BDSVXJVESPPDLG-OAHLLOKOSA-N 1 3 338.883 2.015 10 0 EEAEHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(Cl)nc1 ZINC001316908370 1331974725 /nfs/dbraw/zinc/97/47/25/1331974725.db2.gz BDSVXJVESPPDLG-OAHLLOKOSA-N 1 3 338.883 2.015 10 0 EEAEHO Cc1ncc(CN2CCC[C@@H]2CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001317433549 1332237297 /nfs/dbraw/zinc/23/72/97/1332237297.db2.gz FSOUGUHGVOVCNR-IRXDYDNUSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncc(CN2CCC[C@@H]2CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)o1 ZINC001317433549 1332237299 /nfs/dbraw/zinc/23/72/99/1332237299.db2.gz FSOUGUHGVOVCNR-IRXDYDNUSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1oncc1C[N@H+]1CCC[C@@H]1CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001317437792 1332241809 /nfs/dbraw/zinc/24/18/09/1332241809.db2.gz XKYVYKYLOHVZEA-QAPCUYQASA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1oncc1C[N@@H+]1CCC[C@@H]1CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001317437792 1332241811 /nfs/dbraw/zinc/24/18/11/1332241811.db2.gz XKYVYKYLOHVZEA-QAPCUYQASA-N 1 3 348.491 2.186 10 0 EEAEHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NCc1cccc(Cl)n1 ZINC001318567888 1332561904 /nfs/dbraw/zinc/56/19/04/1332561904.db2.gz JBZKDTUDQZDNSG-CQSZACIVSA-N 1 3 338.883 2.061 10 0 EEAEHO Cc1ncc(CN2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@H]32)o1 ZINC001320111765 1332829223 /nfs/dbraw/zinc/82/92/23/1332829223.db2.gz QKZBEIUYNCHWGX-SJLPKXTDSA-N 1 3 348.491 2.138 10 0 EEAEHO COCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001322373591 1333255706 /nfs/dbraw/zinc/25/57/06/1333255706.db2.gz YNVARAHIJRHQNJ-RBUKOAKNSA-N 1 3 347.503 2.273 10 0 EEAEHO Cc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC001326223269 1334046885 /nfs/dbraw/zinc/04/68/85/1334046885.db2.gz HHLDRBARRYVHCI-RBUKOAKNSA-N 1 3 329.488 2.417 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](CC[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001326366193 1334077156 /nfs/dbraw/zinc/07/71/56/1334077156.db2.gz ZRXFKVVCYDLSNH-SJLPKXTDSA-N 1 3 347.478 2.496 10 0 EEAEHO Cc1ccccc1C[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001326429360 1334092602 /nfs/dbraw/zinc/09/26/02/1334092602.db2.gz CWRLWMYHCPZUMZ-SFHVURJKSA-N 1 3 329.488 2.419 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)NCc1ccc(Cl)nc1)[NH+](C)C ZINC001331614390 1335045847 /nfs/dbraw/zinc/04/58/47/1335045847.db2.gz XACMXACFPKQSLH-CZUORRHYSA-N 1 3 340.899 2.258 10 0 EEAEHO COCCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC001332217174 1335769376 /nfs/dbraw/zinc/76/93/76/1335769376.db2.gz GXCAIRQAPLWQHM-LPHOPBHVSA-N 1 3 347.503 2.367 10 0 EEAEHO COCCC[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC001332217174 1335769383 /nfs/dbraw/zinc/76/93/83/1335769383.db2.gz GXCAIRQAPLWQHM-LPHOPBHVSA-N 1 3 347.503 2.367 10 0 EEAEHO O=C(CCC[NH+]1CCCC1)NC[C@H]1C[C@H](NCc2cncc(F)c2)C1 ZINC001436400324 1342074486 /nfs/dbraw/zinc/07/44/86/1342074486.db2.gz COIWCUANCAZRMW-RZDIXWSQSA-N 1 3 348.466 2.081 10 0 EEAEHO C[C@@H]([NH2+]CCN(CCO)C(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001501480227 1342190103 /nfs/dbraw/zinc/19/01/03/1342190103.db2.gz ILZRLYIIECCTCP-QGZVFWFLSA-N 1 3 347.503 2.033 10 0 EEAEHO CCOCCN1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001566928511 1342653791 /nfs/dbraw/zinc/65/37/91/1342653791.db2.gz JHIYFFWZZYGCIC-SFHVURJKSA-N 1 3 339.524 2.114 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1cnn(C(C)(C)C)c1 ZINC001567504328 1342773762 /nfs/dbraw/zinc/77/37/62/1342773762.db2.gz GNUHTMNJVIVXAC-QGZVFWFLSA-N 1 3 349.523 2.061 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1cnn(C(C)(C)C)c1 ZINC001567504328 1342773764 /nfs/dbraw/zinc/77/37/64/1342773764.db2.gz GNUHTMNJVIVXAC-QGZVFWFLSA-N 1 3 349.523 2.061 10 0 EEAEHO CN(C(=O)Cc1c[nH]cn1)C1CCC([NH2+]CCC[C@H]2CCOC2)CC1 ZINC001570664164 1343098637 /nfs/dbraw/zinc/09/86/37/1343098637.db2.gz BGQACJNUQFBDFI-HJOIGYKYSA-N 1 3 348.491 2.128 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CCOCC1 ZINC001649470314 1353523377 /nfs/dbraw/zinc/52/33/77/1353523377.db2.gz ISOMUCHZDYPLGL-AEFFLSMTSA-N 1 3 339.524 2.162 10 0 EEAEHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)Cc1cccnc1C ZINC001660536050 1354483848 /nfs/dbraw/zinc/48/38/48/1354483848.db2.gz CNUCCFDAIUSBPM-UHFFFAOYSA-N 1 3 332.492 2.203 10 0 EEAEHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)Cc1cccnc1C ZINC001660536050 1354483850 /nfs/dbraw/zinc/48/38/50/1354483850.db2.gz CNUCCFDAIUSBPM-UHFFFAOYSA-N 1 3 332.492 2.203 10 0 EEAEHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCOC(C)C)N(C)C ZINC001661530042 1354650481 /nfs/dbraw/zinc/65/04/81/1354650481.db2.gz IPATWGHBJLZCRT-HQSKLWIPSA-N 1 3 339.524 2.253 10 0 EEAEHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCOC(C)C)N(C)C ZINC001661530042 1354650483 /nfs/dbraw/zinc/65/04/83/1354650483.db2.gz IPATWGHBJLZCRT-HQSKLWIPSA-N 1 3 339.524 2.253 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CCCc3ccsc3)C2)C1 ZINC001662685609 1354825845 /nfs/dbraw/zinc/82/58/45/1354825845.db2.gz MNBQUOFZLQJSIK-FUHWJXTLSA-N 1 3 349.544 2.461 10 0 EEAEHO CN(CC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)CN(C)C1CCC1 ZINC001663985604 1355067738 /nfs/dbraw/zinc/06/77/38/1355067738.db2.gz CMYGURQEMCTOOR-UHFFFAOYSA-N 1 3 329.488 2.208 10 0 EEAEHO C[C@H](CCNCc1cc(F)ccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668310035 1355920785 /nfs/dbraw/zinc/92/07/85/1355920785.db2.gz PQZPXTRERIHFJB-CHWSQXEVSA-N 1 3 341.858 2.415 10 0 EEAEHO C[C@H](CCNCc1cc(F)ccc1Cl)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001668310035 1355920787 /nfs/dbraw/zinc/92/07/87/1355920787.db2.gz PQZPXTRERIHFJB-CHWSQXEVSA-N 1 3 341.858 2.415 10 0 EEAEHO Cc1nc(C(C)C)oc1CNCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668310645 1355921611 /nfs/dbraw/zinc/92/16/11/1355921611.db2.gz WWGXDORYFRHZNM-UKRRQHHQSA-N 1 3 336.480 2.043 10 0 EEAEHO Cc1nc(C(C)C)oc1CNCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001668310645 1355921612 /nfs/dbraw/zinc/92/16/12/1355921612.db2.gz WWGXDORYFRHZNM-UKRRQHHQSA-N 1 3 336.480 2.043 10 0 EEAEHO CCN(CCNCc1ccc(C(C)C)nc1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001668640525 1355977649 /nfs/dbraw/zinc/97/76/49/1355977649.db2.gz CTGTWBNOBCLVOI-SFHVURJKSA-N 1 3 346.519 2.403 10 0 EEAEHO CCN(CCNCc1ccc(C(C)C)nc1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001668640525 1355977651 /nfs/dbraw/zinc/97/76/51/1355977651.db2.gz CTGTWBNOBCLVOI-SFHVURJKSA-N 1 3 346.519 2.403 10 0 EEAEHO Cc1ccc(F)cc1CNC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668833442 1356016068 /nfs/dbraw/zinc/01/60/68/1356016068.db2.gz HZEKNBPDGANOMZ-CHABLROBSA-N 1 3 333.451 2.236 10 0 EEAEHO Cc1ccc(F)cc1CNC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001668833442 1356016071 /nfs/dbraw/zinc/01/60/71/1356016071.db2.gz HZEKNBPDGANOMZ-CHABLROBSA-N 1 3 333.451 2.236 10 0 EEAEHO Cc1cnc([C@H](C)NCCC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cn1 ZINC001675966278 1357079116 /nfs/dbraw/zinc/07/91/16/1357079116.db2.gz NICLGYXYPCNKHS-ZBFHGGJFSA-N 1 3 347.507 2.062 10 0 EEAEHO O=C(N[C@@H](CNCCF)C1CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699575314 1405401031 /nfs/dbraw/zinc/40/10/31/1405401031.db2.gz CVAPVFAGVUMSHA-WBVHZDCISA-N 1 3 325.472 2.095 10 0 EEAEHO O=C(N[C@@H](CNCCF)C1CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001699575314 1405401036 /nfs/dbraw/zinc/40/10/36/1405401036.db2.gz CVAPVFAGVUMSHA-WBVHZDCISA-N 1 3 325.472 2.095 10 0 EEAEHO C[NH+](C)C1CC(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000819679960 785642105 /nfs/dbraw/zinc/64/21/05/785642105.db2.gz IYXHISWUXZQYSU-FAEJEUNOSA-N 1 3 333.451 2.247 10 0 EEAEHO C[C@@H](NC(=O)[C@H](C)N1CCC2(CO[C@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000923447971 789560744 /nfs/dbraw/zinc/56/07/44/789560744.db2.gz YVBIIKYDDXEFOW-RYRKJORJSA-N 1 3 345.487 2.082 10 0 EEAEHO CC(=O)c1ccccc1OCCN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923454256 789587993 /nfs/dbraw/zinc/58/79/93/789587993.db2.gz GECMOLRYHPKKNU-INIZCTEOSA-N 1 3 332.444 2.098 10 0 EEAEHO C[C@@H]1CN(CC(=O)N(C)Cc2c(F)cccc2Cl)CC[C@H]1C[NH3+] ZINC000923502951 789668301 /nfs/dbraw/zinc/66/83/01/789668301.db2.gz FIYABTUBYIUTAN-OLZOCXBDSA-N 1 3 341.858 2.354 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCCCC[C@@H]([NH2+]CCOCC2CCC2)C1 ZINC001566075653 1125548884 /nfs/dbraw/zinc/54/88/84/1125548884.db2.gz UZBRNSUKTWDLHJ-QGZVFWFLSA-N 1 3 348.491 2.130 10 0 EEAEHO CC[C@@H](F)C[NH2+][C@H](CNC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001436794787 1088363427 /nfs/dbraw/zinc/36/34/27/1088363427.db2.gz YQBIYWCEAPBXQM-HZPDHXFCSA-N 1 3 327.488 2.483 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001437027551 1088828928 /nfs/dbraw/zinc/82/89/28/1088828928.db2.gz CIJMKGNESQBGTD-MRXNPFEDSA-N 1 3 335.467 2.494 10 0 EEAEHO C[C@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cncc(F)c1 ZINC001437405998 1089682058 /nfs/dbraw/zinc/68/20/58/1089682058.db2.gz ZEELNGMIMBFRJF-CQSZACIVSA-N 1 3 338.471 2.183 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](C/C=C/c2ccccc2)C1 ZINC001437743686 1090307669 /nfs/dbraw/zinc/30/76/69/1090307669.db2.gz XHNMILWHCSYXBW-VQFGERMISA-N 1 3 329.488 2.478 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC001437743686 1090307676 /nfs/dbraw/zinc/30/76/76/1090307676.db2.gz XHNMILWHCSYXBW-VQFGERMISA-N 1 3 329.488 2.478 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCOC(C)C)C1 ZINC001437986716 1090580290 /nfs/dbraw/zinc/58/02/90/1090580290.db2.gz HPXPKUJMHYAFKM-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCOC(C)C)C1 ZINC001437986716 1090580298 /nfs/dbraw/zinc/58/02/98/1090580298.db2.gz HPXPKUJMHYAFKM-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]CC1CCC(F)(F)CC1 ZINC001438552519 1091045406 /nfs/dbraw/zinc/04/54/06/1091045406.db2.gz NTCWJVDSPJJWOE-AWEZNQCLSA-N 1 3 333.467 2.494 10 0 EEAEHO COc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C)c1C ZINC001438712760 1091231549 /nfs/dbraw/zinc/23/15/49/1091231549.db2.gz KGUIWRKKIYNACJ-HNNXBMFYSA-N 1 3 335.492 2.280 10 0 EEAEHO C[NH+](C)CCC(=O)NC[C@H]1CCN1CCCc1ccc(Cl)cc1 ZINC001446087887 1092110426 /nfs/dbraw/zinc/11/04/26/1092110426.db2.gz VTCOIKFQMKMBDL-QGZVFWFLSA-N 1 3 337.895 2.415 10 0 EEAEHO COc1cccc(CN(C)C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001439373608 1092111205 /nfs/dbraw/zinc/11/12/05/1092111205.db2.gz USOIFNLVZKIGIE-RYRKJORJSA-N 1 3 347.503 2.362 10 0 EEAEHO COc1cccc(CN(C)C[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001439373608 1092111209 /nfs/dbraw/zinc/11/12/09/1092111209.db2.gz USOIFNLVZKIGIE-RYRKJORJSA-N 1 3 347.503 2.362 10 0 EEAEHO CC(C)CCN1CC[C@@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001446091930 1092117073 /nfs/dbraw/zinc/11/70/73/1092117073.db2.gz GELVRQPBMCNMIC-CRAIPNDOSA-N 1 3 327.488 2.436 10 0 EEAEHO CC(C)CCN1CC[C@@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001446091930 1092117078 /nfs/dbraw/zinc/11/70/78/1092117078.db2.gz GELVRQPBMCNMIC-CRAIPNDOSA-N 1 3 327.488 2.436 10 0 EEAEHO CC[C@H](C(=O)NCC1([NH2+][C@H]2CCc3c2cccc3F)CC1)N(C)C ZINC001446206654 1092289268 /nfs/dbraw/zinc/28/92/68/1092289268.db2.gz MNKBWFOXVKFSBH-DLBZAZTESA-N 1 3 333.451 2.392 10 0 EEAEHO C[NH+](C)CCCC(=O)NCC1(N[C@@H]2CCc3ccc(F)cc32)CC1 ZINC001439639770 1092564319 /nfs/dbraw/zinc/56/43/19/1092564319.db2.gz NVVRJAYXAUPBSF-QGZVFWFLSA-N 1 3 333.451 2.393 10 0 EEAEHO CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001439976561 1093096878 /nfs/dbraw/zinc/09/68/78/1093096878.db2.gz UQDJGRRENDGOEL-HUUCEWRRSA-N 1 3 331.451 2.202 10 0 EEAEHO CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001439976561 1093096881 /nfs/dbraw/zinc/09/68/81/1093096881.db2.gz UQDJGRRENDGOEL-HUUCEWRRSA-N 1 3 331.451 2.202 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001440135226 1093201716 /nfs/dbraw/zinc/20/17/16/1093201716.db2.gz KLKMJKKQZCYVJF-WBVHZDCISA-N 1 3 335.467 2.352 10 0 EEAEHO CCc1nocc1C[NH2+]C1(CC)CCN(C(=O)CN2CCCC2)CC1 ZINC001440539318 1093806509 /nfs/dbraw/zinc/80/65/09/1093806509.db2.gz PHILZYALQOOSNK-UHFFFAOYSA-N 1 3 348.491 2.194 10 0 EEAEHO CC[C@H](C(=O)N(C)C1CCC([NH2+]Cc2ccns2)CC1)N(C)C ZINC001440859837 1094122288 /nfs/dbraw/zinc/12/22/88/1094122288.db2.gz JVRGRNKCEQRHSV-ZBCRRDGASA-N 1 3 338.521 2.343 10 0 EEAEHO COc1ccc(CC[NH+]2CC([C@@H](C)NC(=O)CN(C)C(C)C)C2)cc1 ZINC001441213056 1094576670 /nfs/dbraw/zinc/57/66/70/1094576670.db2.gz QNBLEEYYJJRHAN-MRXNPFEDSA-N 1 3 347.503 2.014 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2cc(C)ns2)[C@H]1C ZINC001441824871 1095866303 /nfs/dbraw/zinc/86/63/03/1095866303.db2.gz NEBAWUMCHCAOLE-GDBMZVCRSA-N 1 3 338.521 2.262 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2cc(C)ns2)[C@H]1C ZINC001441824871 1095866321 /nfs/dbraw/zinc/86/63/21/1095866321.db2.gz NEBAWUMCHCAOLE-GDBMZVCRSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1ncc(CN[C@H](C)CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)o1 ZINC001442269761 1096575788 /nfs/dbraw/zinc/57/57/88/1096575788.db2.gz CGHLMHRQQIDJCD-RHSMWYFYSA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1ncc(CN[C@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)o1 ZINC001442269761 1096575796 /nfs/dbraw/zinc/57/57/96/1096575796.db2.gz CGHLMHRQQIDJCD-RHSMWYFYSA-N 1 3 336.480 2.088 10 0 EEAEHO COc1cccc([C@H](C)[NH2+]CCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001443080915 1097494193 /nfs/dbraw/zinc/49/41/93/1097494193.db2.gz QSVXBFDOKDNCOH-HOTGVXAUSA-N 1 3 333.476 2.146 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2cnccn2)CC1 ZINC001443131497 1097556373 /nfs/dbraw/zinc/55/63/73/1097556373.db2.gz BLPWTTWRBMDZCQ-HOTGVXAUSA-N 1 3 347.507 2.095 10 0 EEAEHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001444049467 1098575249 /nfs/dbraw/zinc/57/52/49/1098575249.db2.gz ZTAYIWBROQAQSJ-GOSISDBHSA-N 1 3 333.476 2.041 10 0 EEAEHO CCc1onc(C)c1CN[C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001480237571 1099867795 /nfs/dbraw/zinc/86/77/95/1099867795.db2.gz DGRPHIRKSAFDRJ-IYBDPMFKSA-N 1 3 348.491 2.158 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001480471440 1100277913 /nfs/dbraw/zinc/27/79/13/1100277913.db2.gz GDJCWAOLECQQNR-CXAGYDPISA-N 1 3 339.430 2.434 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001480471440 1100277919 /nfs/dbraw/zinc/27/79/19/1100277919.db2.gz GDJCWAOLECQQNR-CXAGYDPISA-N 1 3 339.430 2.434 10 0 EEAEHO CC(C)C[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)CN1CC[C@H](C)C1 ZINC001496287360 1100870483 /nfs/dbraw/zinc/87/04/83/1100870483.db2.gz HCZWELRCQUXVFT-GOEBONIOSA-N 1 3 345.478 2.494 10 0 EEAEHO Cc1cc(CNCC[C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)on1 ZINC001495374520 1101091083 /nfs/dbraw/zinc/09/10/83/1101091083.db2.gz SPUHWRDBEDUWPV-MRXNPFEDSA-N 1 3 348.491 2.043 10 0 EEAEHO Cc1cc(CNCC[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)on1 ZINC001495377091 1101095791 /nfs/dbraw/zinc/09/57/91/1101095791.db2.gz CILZEIYCKKQLCK-IRXDYDNUSA-N 1 3 348.491 2.043 10 0 EEAEHO Cc1cc(CNCC[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)on1 ZINC001495377091 1101095799 /nfs/dbraw/zinc/09/57/99/1101095799.db2.gz CILZEIYCKKQLCK-IRXDYDNUSA-N 1 3 348.491 2.043 10 0 EEAEHO Cc1ncoc1C[NH2+]CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001495429894 1101148396 /nfs/dbraw/zinc/14/83/96/1101148396.db2.gz ANFAJOONPGFMFD-HNNXBMFYSA-N 1 3 348.491 2.043 10 0 EEAEHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(CC[C@@H](C)F)CCC1(F)F ZINC001446731222 1101311727 /nfs/dbraw/zinc/31/17/27/1101311727.db2.gz ZFQHUJAABNMKJH-ZIAGYGMSSA-N 1 3 337.430 2.150 10 0 EEAEHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(CC[C@@H](C)F)CCC1(F)F ZINC001446731222 1101311739 /nfs/dbraw/zinc/31/17/39/1101311739.db2.gz ZFQHUJAABNMKJH-ZIAGYGMSSA-N 1 3 337.430 2.150 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CCc2ccccc2)C1 ZINC001446939318 1101626336 /nfs/dbraw/zinc/62/63/36/1101626336.db2.gz HGHDWHPGDGHZPH-MJGOQNOKSA-N 1 3 331.504 2.396 10 0 EEAEHO Cc1conc1CNC[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001447088160 1101965381 /nfs/dbraw/zinc/96/53/81/1101965381.db2.gz BRTHQOOCQSBCFI-WKILWMFISA-N 1 3 336.480 2.089 10 0 EEAEHO Cc1nccnc1CNCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001497189017 1102096984 /nfs/dbraw/zinc/09/69/84/1102096984.db2.gz QAEUKSQJTYUXRG-HNNXBMFYSA-N 1 3 347.507 2.034 10 0 EEAEHO CN(C)C1(C(=O)N(C)CCC[N@H+](C)CC[C@H]2CCCCO2)CCC1 ZINC001447336445 1102471083 /nfs/dbraw/zinc/47/10/83/1102471083.db2.gz MUGNULFZCAJXNM-QGZVFWFLSA-N 1 3 339.524 2.210 10 0 EEAEHO CN(C)C1(C(=O)N(C)CCC[N@@H+](C)CC[C@H]2CCCCO2)CCC1 ZINC001447336445 1102471089 /nfs/dbraw/zinc/47/10/89/1102471089.db2.gz MUGNULFZCAJXNM-QGZVFWFLSA-N 1 3 339.524 2.210 10 0 EEAEHO C[NH+](C)CCCC(=O)NC/C=C\CN[C@@H]1CCc2c1cccc2F ZINC001497660430 1102845799 /nfs/dbraw/zinc/84/57/99/1102845799.db2.gz IKFHEGSKPQPJBA-DDKKJVIOSA-N 1 3 333.451 2.417 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC(O)(C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001447618399 1102981837 /nfs/dbraw/zinc/98/18/37/1102981837.db2.gz BHUFYJHCQJXPBY-QGZVFWFLSA-N 1 3 347.503 2.031 10 0 EEAEHO Cc1ncc(CN2CC[C@@H](CCNC(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC001494057469 1103442512 /nfs/dbraw/zinc/44/25/12/1103442512.db2.gz UDIUCOBMRAVVRM-QGZVFWFLSA-N 1 3 348.491 2.043 10 0 EEAEHO Cc1ccccc1OCCCN1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001494324621 1103896146 /nfs/dbraw/zinc/89/61/46/1103896146.db2.gz KOKRBCTZADEHRK-SFHVURJKSA-N 1 3 347.503 2.296 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001480679712 1106869605 /nfs/dbraw/zinc/86/96/05/1106869605.db2.gz CJMJYEMEJWWNOG-VQFGERMISA-N 1 3 329.488 2.478 10 0 EEAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@@H](NCc2cncc(F)c2)C1 ZINC001479301402 1110678047 /nfs/dbraw/zinc/67/80/47/1110678047.db2.gz JRZLMXKCIAFTEG-FHLIZLRMSA-N 1 3 348.466 2.080 10 0 EEAEHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@@H](NCc2cncc(F)c2)C1 ZINC001479301402 1110678048 /nfs/dbraw/zinc/67/80/48/1110678048.db2.gz JRZLMXKCIAFTEG-FHLIZLRMSA-N 1 3 348.466 2.080 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)CCN1C ZINC001479379259 1110688488 /nfs/dbraw/zinc/68/84/88/1110688488.db2.gz SSUVSGNYBLNBBO-SQNIBIBYSA-N 1 3 336.524 2.375 10 0 EEAEHO O=C(CCC[NH+]1CCCC1)NC[C@H]1CCN1CC[C@H]1CCCCO1 ZINC001499128245 1112139141 /nfs/dbraw/zinc/13/91/41/1112139141.db2.gz UZOZXFFUQFKSMO-QZTJIDSGSA-N 1 3 337.508 2.012 10 0 EEAEHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)c(C)n1 ZINC001502167171 1113624168 /nfs/dbraw/zinc/62/41/68/1113624168.db2.gz QKFRZXWXSOGQGP-SFHVURJKSA-N 1 3 332.492 2.073 10 0 EEAEHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)c(C)n1 ZINC001502167171 1113624169 /nfs/dbraw/zinc/62/41/69/1113624169.db2.gz QKFRZXWXSOGQGP-SFHVURJKSA-N 1 3 332.492 2.073 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2CN(CC=C(Cl)Cl)C[C@H]2C1 ZINC001506851209 1114913715 /nfs/dbraw/zinc/91/37/15/1114913715.db2.gz CRQMOLFWAGOBPD-BFHYXJOUSA-N 1 3 348.318 2.474 10 0 EEAEHO Cc1ccncc1CN[C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001507160874 1115141257 /nfs/dbraw/zinc/14/12/57/1115141257.db2.gz GUYACDBRPQIKEG-PKOBYXMFSA-N 1 3 346.519 2.447 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C[C@H]1C ZINC001507341368 1115204568 /nfs/dbraw/zinc/20/45/68/1115204568.db2.gz SOQQBSDSJLUVNW-DYVFJYSZSA-N 1 3 339.430 2.384 10 0 EEAEHO Cc1ccccc1OCCN1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001507380491 1115239285 /nfs/dbraw/zinc/23/92/85/1115239285.db2.gz FRWXUOCBJVDPJX-ZWKOTPCHSA-N 1 3 347.503 2.295 10 0 EEAEHO CN(C)C[C@@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000121440158 282116777 /nfs/dbraw/zinc/11/67/77/282116777.db2.gz LGSPXCKLARZFBF-CRAIPNDOSA-N 1 3 330.476 2.073 10 0 EEAEHO CN(C)C[C@@H](NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000121440158 282116778 /nfs/dbraw/zinc/11/67/78/282116778.db2.gz LGSPXCKLARZFBF-CRAIPNDOSA-N 1 3 330.476 2.073 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@H]1c1ccccc1 ZINC000251541300 282120410 /nfs/dbraw/zinc/12/04/10/282120410.db2.gz GHCLJXMWRAVRBP-CGTJXYLNSA-N 1 3 330.476 2.025 10 0 EEAEHO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000170861263 282196768 /nfs/dbraw/zinc/19/67/68/282196768.db2.gz JKVPRUVIBJZQGS-MSOLQXFVSA-N 1 3 330.476 2.169 10 0 EEAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000245942190 539666883 /nfs/dbraw/zinc/66/68/83/539666883.db2.gz UTLWNTZVBNTMOV-FUHWJXTLSA-N 1 3 332.492 2.148 10 0 EEAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000245942190 539666888 /nfs/dbraw/zinc/66/68/88/539666888.db2.gz UTLWNTZVBNTMOV-FUHWJXTLSA-N 1 3 332.492 2.148 10 0 EEAEHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000097358951 295905613 /nfs/dbraw/zinc/90/56/13/295905613.db2.gz YKDQFIHPLOGBFC-FUHWJXTLSA-N 1 3 332.492 2.463 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000186999850 236091151 /nfs/dbraw/zinc/09/11/51/236091151.db2.gz IIVXKPDSUKAVEJ-GOSISDBHSA-N 1 3 346.519 2.285 10 0 EEAEHO CCCN1CCN([C@@H](C[NH3+])c2cccc(Br)c2)CC1 ZINC000022178463 212280331 /nfs/dbraw/zinc/28/03/31/212280331.db2.gz LVHQJRKWLGTLHD-HNNXBMFYSA-N 1 3 326.282 2.477 10 0 EEAEHO C[C@H](CN1CCCCC1)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000080338589 217298857 /nfs/dbraw/zinc/29/88/57/217298857.db2.gz GUFYDJXJVDDAJX-MRXNPFEDSA-N 1 3 333.476 2.231 10 0 EEAEHO CCC[C@](C)(N)C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000262699786 152308512 /nfs/dbraw/zinc/30/85/12/152308512.db2.gz GXPLTRXETOKTIK-SFHVURJKSA-N 1 3 327.513 2.101 10 0 EEAEHO CCC[C@](C)(N)C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000262699786 152308514 /nfs/dbraw/zinc/30/85/14/152308514.db2.gz GXPLTRXETOKTIK-SFHVURJKSA-N 1 3 327.513 2.101 10 0 EEAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245863265 160254734 /nfs/dbraw/zinc/25/47/34/160254734.db2.gz IESNVEAOFXBOTF-PKOBYXMFSA-N 1 3 344.503 2.387 10 0 EEAEHO COc1ccc(CN2CCC(C[NH2+][C@H]3CN(C)C[C@H]3C)CC2)cc1 ZINC000343893915 161178280 /nfs/dbraw/zinc/17/82/80/161178280.db2.gz JOTYQHHQAGKPSJ-UZLBHIALSA-N 1 3 331.504 2.447 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000354979322 163039458 /nfs/dbraw/zinc/03/94/58/163039458.db2.gz LEPPGVRKGLAKSO-BHIYHBOVSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000354979322 163039460 /nfs/dbraw/zinc/03/94/60/163039460.db2.gz LEPPGVRKGLAKSO-BHIYHBOVSA-N 1 3 344.503 2.385 10 0 EEAEHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171901906 227349379 /nfs/dbraw/zinc/34/93/79/227349379.db2.gz GVKXNLPRCJTEJH-RTBURBONSA-N 1 3 342.487 2.141 10 0 EEAEHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171901906 227349386 /nfs/dbraw/zinc/34/93/86/227349386.db2.gz GVKXNLPRCJTEJH-RTBURBONSA-N 1 3 342.487 2.141 10 0 EEAEHO COCCN1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000278688667 274389991 /nfs/dbraw/zinc/38/99/91/274389991.db2.gz KIAVHXCRWGXZCH-MXEMCNAFSA-N 1 3 343.515 2.492 10 0 EEAEHO COCCN1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000278688667 274389992 /nfs/dbraw/zinc/38/99/92/274389992.db2.gz KIAVHXCRWGXZCH-MXEMCNAFSA-N 1 3 343.515 2.492 10 0 EEAEHO COCCN1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000278688667 274389993 /nfs/dbraw/zinc/38/99/93/274389993.db2.gz KIAVHXCRWGXZCH-MXEMCNAFSA-N 1 3 343.515 2.492 10 0 EEAEHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@@H]2C)cc1 ZINC000414861834 278232453 /nfs/dbraw/zinc/23/24/53/278232453.db2.gz WUYHGNSHSYPLNB-ZNMIVQPWSA-N 1 3 346.475 2.024 10 0 EEAEHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCN(C)Cc2ccccc2)[C@H](C)C1 ZINC000128616525 279396894 /nfs/dbraw/zinc/39/68/94/279396894.db2.gz MWSJWIRJNPIMAP-IEBWSBKVSA-N 1 3 346.519 2.490 10 0 EEAEHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCN(C)Cc2ccccc2)[C@H](C)C1 ZINC000128616525 279396895 /nfs/dbraw/zinc/39/68/95/279396895.db2.gz MWSJWIRJNPIMAP-IEBWSBKVSA-N 1 3 346.519 2.490 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N(C)CCC[NH+]1CCCC1 ZINC000281705498 292778386 /nfs/dbraw/zinc/77/83/86/292778386.db2.gz MLKMEIMMAQSGME-UHFFFAOYSA-N 1 3 333.476 2.185 10 0 EEAEHO CCCN1CCN(c2ccccc2CNC[C@H]2CCC[NH2+]C2)CC1 ZINC000414827894 313097995 /nfs/dbraw/zinc/09/79/95/313097995.db2.gz KWQBFEGWVBWWCW-SFHVURJKSA-N 1 3 330.520 2.308 10 0 EEAEHO CN(C)Cc1cccc(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000417073340 313413645 /nfs/dbraw/zinc/41/36/45/313413645.db2.gz SLHOKFLKAYZEOA-IBGZPJMESA-N 1 3 330.476 2.033 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000417314166 313481359 /nfs/dbraw/zinc/48/13/59/313481359.db2.gz QTZWQJIBYPEOLL-MSOLQXFVSA-N 1 3 330.476 2.134 10 0 EEAEHO Cc1ccc([C@@H](CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000417314172 313481686 /nfs/dbraw/zinc/48/16/86/313481686.db2.gz QTZWQJIBYPEOLL-ZWKOTPCHSA-N 1 3 330.476 2.134 10 0 EEAEHO O=C(NCc1ccc2c(c1)CNC2)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418599284 313856434 /nfs/dbraw/zinc/85/64/34/313856434.db2.gz ZKJPRAFRBGUCSH-IBGZPJMESA-N 1 3 342.487 2.450 10 0 EEAEHO C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000418697003 313883162 /nfs/dbraw/zinc/88/31/62/313883162.db2.gz BHVDXNZPMAUERR-CABCVRRESA-N 1 3 333.480 2.065 10 0 EEAEHO COc1ccc(OC)c(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530247597 317704275 /nfs/dbraw/zinc/70/42/75/317704275.db2.gz BAIKCTBZHNUBQV-GOSISDBHSA-N 1 3 334.460 2.294 10 0 EEAEHO CN(CCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1cc[nH+]cc1 ZINC000541856497 318112569 /nfs/dbraw/zinc/11/25/69/318112569.db2.gz LVPIEGPCPLLDDX-UYAOXDASSA-N 1 3 338.455 2.470 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000563529156 319019708 /nfs/dbraw/zinc/01/97/08/319019708.db2.gz GXASCTUFKYCQGQ-BPQIPLTHSA-N 1 3 330.476 2.121 10 0 EEAEHO NC[C@H]1c2ccccc2CCN1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000565831768 319219029 /nfs/dbraw/zinc/21/90/29/319219029.db2.gz DRSNHHWLFYHBHW-IBGZPJMESA-N 1 3 342.487 2.271 10 0 EEAEHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000566672685 319310796 /nfs/dbraw/zinc/31/07/96/319310796.db2.gz BXJDCGRJDCXBRU-IMJJTQAJSA-N 1 3 329.423 2.116 10 0 EEAEHO Cc1ccc([C@@H](CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)N(C)C)cc1 ZINC000574741398 320052634 /nfs/dbraw/zinc/05/26/34/320052634.db2.gz AVRCQQLSNDKQPN-UYAOXDASSA-N 1 3 344.503 2.383 10 0 EEAEHO Cc1ccc2nccc(NC3CC[NH+](CCC(=O)N(C)C)CC3)c2c1 ZINC000354582713 465036964 /nfs/dbraw/zinc/03/69/64/465036964.db2.gz UGHWTSZEZVBDJU-UHFFFAOYSA-N 1 3 340.471 2.320 10 0 EEAEHO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000348048844 465394485 /nfs/dbraw/zinc/39/44/85/465394485.db2.gz WOBDOGMSPIRANI-QVHQYWGISA-N 1 3 341.499 2.496 10 0 EEAEHO CC[NH+]1CCC(CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000521471830 468316807 /nfs/dbraw/zinc/31/68/07/468316807.db2.gz UBZXSDNZNQEHDT-OALUTQOASA-N 1 3 344.503 2.463 10 0 EEAEHO CCNC(=O)N1CC[C@H](N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000090410622 462790054 /nfs/dbraw/zinc/79/00/54/462790054.db2.gz LSNOOXMZRGDALG-WBVHZDCISA-N 1 3 348.491 2.081 10 0 EEAEHO CCNC(=O)N1CC[C@@H](N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000090410693 462790285 /nfs/dbraw/zinc/79/02/85/462790285.db2.gz JSPOACAZJMJLSD-DOTOQJQBSA-N 1 3 348.491 2.081 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000156645092 463051943 /nfs/dbraw/zinc/05/19/43/463051943.db2.gz XNTQHPJVKSMLRE-UHOSZYNNSA-N 1 3 329.488 2.498 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000156645092 463051946 /nfs/dbraw/zinc/05/19/46/463051946.db2.gz XNTQHPJVKSMLRE-UHOSZYNNSA-N 1 3 329.488 2.498 10 0 EEAEHO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000081331528 463421108 /nfs/dbraw/zinc/42/11/08/463421108.db2.gz HBBBGFVBUPKQIK-QGZVFWFLSA-N 1 3 347.503 2.431 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000072956387 463566466 /nfs/dbraw/zinc/56/64/66/463566466.db2.gz JIHJYDVBHKXOJA-MRXNPFEDSA-N 1 3 344.503 2.455 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccsc1 ZINC000170829524 463716189 /nfs/dbraw/zinc/71/61/89/463716189.db2.gz GKRFJPPQVAFRHQ-HZPDHXFCSA-N 1 3 338.521 2.477 10 0 EEAEHO [NH3+]C[C@H]1CN(Cc2cc(-n3ccnc3)cs2)CC12CCOCC2 ZINC000579592851 468382182 /nfs/dbraw/zinc/38/21/82/468382182.db2.gz JMLMBRNWNORXSN-AWEZNQCLSA-N 1 3 332.473 2.121 10 0 EEAEHO NC[C@H]1C[N@H+](Cc2cc(-n3ccnc3)cs2)CC12CCOCC2 ZINC000579592851 468382186 /nfs/dbraw/zinc/38/21/86/468382186.db2.gz JMLMBRNWNORXSN-AWEZNQCLSA-N 1 3 332.473 2.121 10 0 EEAEHO NC[C@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)CC12CCOCC2 ZINC000579592851 468382191 /nfs/dbraw/zinc/38/21/91/468382191.db2.gz JMLMBRNWNORXSN-AWEZNQCLSA-N 1 3 332.473 2.121 10 0 EEAEHO C[C@H](CNC(=O)N1CCCN(C2CC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000171909222 463948437 /nfs/dbraw/zinc/94/84/37/463948437.db2.gz LURCOKMJNQKWAH-QGZVFWFLSA-N 1 3 344.503 2.387 10 0 EEAEHO CCC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)N(C)C ZINC000190582347 464681838 /nfs/dbraw/zinc/68/18/38/464681838.db2.gz QQQRGGIZNFYTON-ZWKOTPCHSA-N 1 3 332.492 2.092 10 0 EEAEHO CCC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)N(C)C ZINC000190582347 464681846 /nfs/dbraw/zinc/68/18/46/464681846.db2.gz QQQRGGIZNFYTON-ZWKOTPCHSA-N 1 3 332.492 2.092 10 0 EEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000247479836 464683932 /nfs/dbraw/zinc/68/39/32/464683932.db2.gz VZOUQXSKXAHNEH-NXHRZFHOSA-N 1 3 332.492 2.317 10 0 EEAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000247479836 464683940 /nfs/dbraw/zinc/68/39/40/464683940.db2.gz VZOUQXSKXAHNEH-NXHRZFHOSA-N 1 3 332.492 2.317 10 0 EEAEHO CN1CC[C@H]([NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353521810 465949502 /nfs/dbraw/zinc/94/95/02/465949502.db2.gz SQGCPYSIVJKRPE-UWHLTILDSA-N 1 3 343.515 2.086 10 0 EEAEHO COc1ccc([C@H](CCn2cncn2)[NH2+][C@H]2CCNC[C@H]2C)cc1 ZINC000423406341 466742021 /nfs/dbraw/zinc/74/20/21/466742021.db2.gz URISQXWHHSCAGR-JLSDUUJJSA-N 1 3 329.448 2.006 10 0 EEAEHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000417049515 466764776 /nfs/dbraw/zinc/76/47/76/466764776.db2.gz UIPCUQHPDCTYED-FUHWJXTLSA-N 1 3 332.492 2.498 10 0 EEAEHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000417049515 466764781 /nfs/dbraw/zinc/76/47/81/466764781.db2.gz UIPCUQHPDCTYED-FUHWJXTLSA-N 1 3 332.492 2.498 10 0 EEAEHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000417181578 466796748 /nfs/dbraw/zinc/79/67/48/466796748.db2.gz IDLSFHOJQGGTCL-SZMVWBNQSA-N 1 3 332.492 2.071 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000373514494 466830472 /nfs/dbraw/zinc/83/04/72/466830472.db2.gz JKIPLKQPMVLVIJ-WDSOQIARSA-N 1 3 329.488 2.403 10 0 EEAEHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000418026209 467027467 /nfs/dbraw/zinc/02/74/67/467027467.db2.gz FCGRYXCUXNXTFP-RYQLBKOJSA-N 1 3 332.492 2.274 10 0 EEAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)N(C)C ZINC000418159443 467061444 /nfs/dbraw/zinc/06/14/44/467061444.db2.gz AFSWHFKOWFSEHX-FZCLSBEQSA-N 1 3 332.492 2.283 10 0 EEAEHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCC[NH3+] ZINC000418307914 467090475 /nfs/dbraw/zinc/09/04/75/467090475.db2.gz FPDLUMZDQWFWQU-UHFFFAOYSA-N 1 3 346.397 2.127 10 0 EEAEHO CN(C(=O)NC[C@@]1(C)CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418517757 467123077 /nfs/dbraw/zinc/12/30/77/467123077.db2.gz LKZDWOCNGAWSBZ-QUCCMNQESA-N 1 3 344.503 2.292 10 0 EEAEHO COC[C@@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000452102727 467323439 /nfs/dbraw/zinc/32/34/39/467323439.db2.gz LBDBRWJGFOYCOY-MJGOQNOKSA-N 1 3 347.503 2.154 10 0 EEAEHO C[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000382714722 467378355 /nfs/dbraw/zinc/37/83/55/467378355.db2.gz ZMNHNLKRPXGFOQ-QRQLOZEOSA-N 1 3 329.488 2.484 10 0 EEAEHO [NH3+]CCCN1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000415100095 467489620 /nfs/dbraw/zinc/48/96/20/467489620.db2.gz GJWNUINQSPDUEH-UHFFFAOYSA-N 1 3 336.911 2.275 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000458341199 467811810 /nfs/dbraw/zinc/81/18/10/467811810.db2.gz KVCXKXRQGBLEEU-ZIFCJYIRSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000458341199 467811814 /nfs/dbraw/zinc/81/18/14/467811814.db2.gz KVCXKXRQGBLEEU-ZIFCJYIRSA-N 1 3 336.524 2.377 10 0 EEAEHO CC(C)[C@@H]1CNCCN1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000529320150 467845943 /nfs/dbraw/zinc/84/59/43/467845943.db2.gz KTGQLLJFALZWDI-BZSNNMDCSA-N 1 3 330.476 2.071 10 0 EEAEHO CC(C)[C@@H]1CNCCN1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000529320150 467845944 /nfs/dbraw/zinc/84/59/44/467845944.db2.gz KTGQLLJFALZWDI-BZSNNMDCSA-N 1 3 330.476 2.071 10 0 EEAEHO CN(C)CCNC(=O)C1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000450545910 467868073 /nfs/dbraw/zinc/86/80/73/467868073.db2.gz CIKPFTCUBXLKDK-UXBLZVDNSA-N 1 3 329.488 2.480 10 0 EEAEHO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@H]1CC1(C)C ZINC000487547910 468043856 /nfs/dbraw/zinc/04/38/56/468043856.db2.gz ATQQJUHCSGTHLA-NXHRZFHOSA-N 1 3 331.504 2.300 10 0 EEAEHO COC(=O)c1ccc2c(c1)[C@@H](NCCC[NH+]1CCC(O)CC1)CCC2 ZINC000594505419 468611398 /nfs/dbraw/zinc/61/13/98/468611398.db2.gz UYDZJBCWPXRZKI-IBGZPJMESA-N 1 3 346.471 2.287 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000583921206 468774700 /nfs/dbraw/zinc/77/47/00/468774700.db2.gz DGVZMATZBXFBFE-JFRXWTBNSA-N 1 3 344.503 2.337 10 0 EEAEHO C[C@@H]1CN(C[C@@H]2CCCN2Cc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)O1 ZINC000572888678 469015848 /nfs/dbraw/zinc/01/58/48/469015848.db2.gz ZLCDPNNHFLTVHF-FVJLSDCUSA-N 1 3 343.515 2.406 10 0 EEAEHO O=C(N[C@@H]1CNCCC1(F)F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000563115142 469173962 /nfs/dbraw/zinc/17/39/62/469173962.db2.gz MJMHQUOQOKNTAA-JKSUJKDBSA-N 1 3 337.414 2.012 10 0 EEAEHO O=C(N[C@@H]1CNCCC1(F)F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000563115142 469173970 /nfs/dbraw/zinc/17/39/70/469173970.db2.gz MJMHQUOQOKNTAA-JKSUJKDBSA-N 1 3 337.414 2.012 10 0 EEAEHO CCOC(=O)C1([C@H](C)NCc2c(C3CCC3)cnn2C)CC[NH2+]CC1 ZINC000596651875 469321946 /nfs/dbraw/zinc/32/19/46/469321946.db2.gz OMMNNZQFELCVNH-AWEZNQCLSA-N 1 3 348.491 2.099 10 0 EEAEHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC000629418801 469536407 /nfs/dbraw/zinc/53/64/07/469536407.db2.gz UBHLGQFQWADQPD-INIZCTEOSA-N 1 3 339.524 2.257 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(-c2cnco2)c1 ZINC000617503546 469700516 /nfs/dbraw/zinc/70/05/16/469700516.db2.gz NZQFGCMDGKKJQZ-HNNXBMFYSA-N 1 3 344.459 2.343 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(-c2cnco2)c1 ZINC000617503546 469700520 /nfs/dbraw/zinc/70/05/20/469700520.db2.gz NZQFGCMDGKKJQZ-HNNXBMFYSA-N 1 3 344.459 2.343 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccccc1OC(F)F ZINC000617504199 469702474 /nfs/dbraw/zinc/70/24/74/469702474.db2.gz KLXMTEVFOQTDLE-ZDUSSCGKSA-N 1 3 343.418 2.290 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccccc1OC(F)F ZINC000617504199 469702479 /nfs/dbraw/zinc/70/24/79/469702479.db2.gz KLXMTEVFOQTDLE-ZDUSSCGKSA-N 1 3 343.418 2.290 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C[NH2+]1 ZINC000627016875 469791181 /nfs/dbraw/zinc/79/11/81/469791181.db2.gz RAFUUNGUCPEYRW-AYOQOUSVSA-N 1 3 344.503 2.337 10 0 EEAEHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627126511 469820083 /nfs/dbraw/zinc/82/00/83/469820083.db2.gz VKTACWNSBZPTNI-HNNXBMFYSA-N 1 3 336.505 2.106 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C[NH2+]1 ZINC000627202076 469842333 /nfs/dbraw/zinc/84/23/33/469842333.db2.gz NEYWSNOUVQHMDQ-KBAYOESNSA-N 1 3 330.476 2.043 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000627242379 469854628 /nfs/dbraw/zinc/85/46/28/469854628.db2.gz RXDGZWHQRWZYES-MAUKXSAKSA-N 1 3 345.491 2.080 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC[N@@H+]1C ZINC000632482995 470237173 /nfs/dbraw/zinc/23/71/73/470237173.db2.gz OWOWCSBFJVKVFO-GDAAHCPNSA-N 1 3 329.488 2.353 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC[N@H+]1C ZINC000632482995 470237175 /nfs/dbraw/zinc/23/71/75/470237175.db2.gz OWOWCSBFJVKVFO-GDAAHCPNSA-N 1 3 329.488 2.353 10 0 EEAEHO CCN(C(=O)NC/C=C/C[NH3+])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000641869646 470505608 /nfs/dbraw/zinc/50/56/08/470505608.db2.gz DVJGSCXLWYPXEK-KTJBFALPSA-N 1 3 330.476 2.368 10 0 EEAEHO O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000649373405 470563932 /nfs/dbraw/zinc/56/39/32/470563932.db2.gz YFILRHGLVUAIQU-ZWKOTPCHSA-N 1 3 342.487 2.085 10 0 EEAEHO CCC1([NH+](C)C)CCN(C[C@@H](O)CN(C)Cc2ccccc2)CC1 ZINC000640017712 470756514 /nfs/dbraw/zinc/75/65/14/470756514.db2.gz KETCOVMDKNLQEM-IBGZPJMESA-N 1 3 333.520 2.286 10 0 EEAEHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cccc3c2OCCO3)C1 ZINC000650722471 470951171 /nfs/dbraw/zinc/95/11/71/470951171.db2.gz UTTGXNBDQISFPB-JFIYKMOQSA-N 1 3 332.444 2.319 10 0 EEAEHO CN(C)C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000654663001 471120405 /nfs/dbraw/zinc/12/04/05/471120405.db2.gz BPKNCVJYYBLFAF-XOKHGSTOSA-N 1 3 336.455 2.068 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000654827446 471193891 /nfs/dbraw/zinc/19/38/91/471193891.db2.gz FIPUMUDXUPIJOW-NEWSRXKRSA-N 1 3 329.488 2.450 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000654827446 471193895 /nfs/dbraw/zinc/19/38/95/471193895.db2.gz FIPUMUDXUPIJOW-NEWSRXKRSA-N 1 3 329.488 2.450 10 0 EEAEHO C[NH2+]Cc1ccccc1CNC(=O)NCc1cccc(CN(C)C)c1 ZINC000652130209 471241262 /nfs/dbraw/zinc/24/12/62/471241262.db2.gz FCYNGXDRCDHXDQ-UHFFFAOYSA-N 1 3 340.471 2.467 10 0 EEAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652242116 471261195 /nfs/dbraw/zinc/26/11/95/471261195.db2.gz WLIPSLDYQZONJS-UHFFFAOYSA-N 1 3 332.492 2.409 10 0 EEAEHO [NH3+]C[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(F)(F)F ZINC000655515319 471360787 /nfs/dbraw/zinc/36/07/87/471360787.db2.gz XWLJIPVLZASVMD-JSGCOSHPSA-N 1 3 347.356 2.044 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(c2ccccc2)CC1 ZINC000663538036 471416814 /nfs/dbraw/zinc/41/68/14/471416814.db2.gz DZEWVRLKANPTSN-KRWDZBQOSA-N 1 3 346.519 2.289 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(c2ccccc2)CC1 ZINC000663538036 471416821 /nfs/dbraw/zinc/41/68/21/471416821.db2.gz DZEWVRLKANPTSN-KRWDZBQOSA-N 1 3 346.519 2.289 10 0 EEAEHO CO[C@](C)(CO)CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000655785666 471481755 /nfs/dbraw/zinc/48/17/55/471481755.db2.gz MUZBZTGNRGPQHX-WCIQWLHISA-N 1 3 332.488 2.274 10 0 EEAEHO CO[C@](C)(CO)CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000655785666 471481760 /nfs/dbraw/zinc/48/17/60/471481760.db2.gz MUZBZTGNRGPQHX-WCIQWLHISA-N 1 3 332.488 2.274 10 0 EEAEHO CO[C@](C)(CO)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000655785666 471481764 /nfs/dbraw/zinc/48/17/64/471481764.db2.gz MUZBZTGNRGPQHX-WCIQWLHISA-N 1 3 332.488 2.274 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000669420313 471488813 /nfs/dbraw/zinc/48/88/13/471488813.db2.gz IXAUDBHZQZTIHQ-QRQLOZEOSA-N 1 3 344.503 2.196 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653224191 471541599 /nfs/dbraw/zinc/54/15/99/471541599.db2.gz NHFGFAULVCRQTE-UHFFFAOYSA-N 1 3 345.418 2.155 10 0 EEAEHO CC[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC[C@@H]1[NH3+] ZINC000669545845 471544743 /nfs/dbraw/zinc/54/47/43/471544743.db2.gz FEMPCOZVCVVKMW-SPUZQDLCSA-N 1 3 330.476 2.201 10 0 EEAEHO CC[NH+](CC)CCN(CCOC)C(=O)C[C@H]1NCc2ccccc21 ZINC000659293601 471569698 /nfs/dbraw/zinc/56/96/98/471569698.db2.gz WPSCAZRSIPCTSS-GOSISDBHSA-N 1 3 333.476 2.038 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000659438488 471627671 /nfs/dbraw/zinc/62/76/71/471627671.db2.gz YUKDQFFDEKHXPD-OAHLLOKOSA-N 1 3 342.553 2.021 10 0 EEAEHO CCN1CCCC[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659454169 471635853 /nfs/dbraw/zinc/63/58/53/471635853.db2.gz YCCSXBPFASMPSX-IPMKNSEASA-N 1 3 344.503 2.306 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000659625478 471702222 /nfs/dbraw/zinc/70/22/22/471702222.db2.gz UGDZAGXYKTXQPC-QGZVFWFLSA-N 1 3 338.471 2.272 10 0 EEAEHO CC(CN1C[C@]2(C)COC[C@]2(C)C1)C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661491585 471775121 /nfs/dbraw/zinc/77/51/21/471775121.db2.gz RUJZAUZFQZAFNX-FGYAAKKASA-N 1 3 336.520 2.339 10 0 EEAEHO CC(CN1C[C@]2(C)COC[C@]2(C)C1)C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661491585 471775124 /nfs/dbraw/zinc/77/51/24/471775124.db2.gz RUJZAUZFQZAFNX-FGYAAKKASA-N 1 3 336.520 2.339 10 0 EEAEHO OC1([C@H]2CCCCN2C/C=C\C[N@@H+]2CCCC[C@H]2C2(O)CC2)CC1 ZINC000656708163 471814960 /nfs/dbraw/zinc/81/49/60/471814960.db2.gz UQAWPUILNDJZNR-SPCWZHTESA-N 1 3 334.504 2.301 10 0 EEAEHO OC1([C@H]2CCCCN2C/C=C\C[N@H+]2CCCC[C@H]2C2(O)CC2)CC1 ZINC000656708163 471814964 /nfs/dbraw/zinc/81/49/64/471814964.db2.gz UQAWPUILNDJZNR-SPCWZHTESA-N 1 3 334.504 2.301 10 0 EEAEHO OC1([C@H]2CCCC[N@H+]2C/C=C\CN2CCCC[C@H]2C2(O)CC2)CC1 ZINC000656708163 471814967 /nfs/dbraw/zinc/81/49/67/471814967.db2.gz UQAWPUILNDJZNR-SPCWZHTESA-N 1 3 334.504 2.301 10 0 EEAEHO OC1([C@H]2CCCC[N@@H+]2C/C=C\CN2CCCC[C@H]2C2(O)CC2)CC1 ZINC000656708163 471814971 /nfs/dbraw/zinc/81/49/71/471814971.db2.gz UQAWPUILNDJZNR-SPCWZHTESA-N 1 3 334.504 2.301 10 0 EEAEHO COc1cc(CN(C)C[C@H]2CCC3(C[NH2+]C3)O2)ccc1OC(F)F ZINC000662250149 472041901 /nfs/dbraw/zinc/04/19/01/472041901.db2.gz ZFKJSZZWXDINOO-CYBMUJFWSA-N 1 3 342.386 2.249 10 0 EEAEHO CC(=O)NCc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000668445543 472129576 /nfs/dbraw/zinc/12/95/76/472129576.db2.gz STPAQXBYINMQJT-UHFFFAOYSA-N 1 3 338.455 2.476 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000665761526 472177465 /nfs/dbraw/zinc/17/74/65/472177465.db2.gz GWFVNNCCNQYKJD-QZWWFDLISA-N 1 3 326.529 2.334 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000665761526 472177471 /nfs/dbraw/zinc/17/74/71/472177471.db2.gz GWFVNNCCNQYKJD-QZWWFDLISA-N 1 3 326.529 2.334 10 0 EEAEHO Cn1ncc2c1CCC[C@H]2NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658141146 485570714 /nfs/dbraw/zinc/57/07/14/485570714.db2.gz RIAYTMBGOODXSJ-PKOBYXMFSA-N 1 3 340.471 2.154 10 0 EEAEHO Cn1ncc2c1CCC[C@H]2NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658141146 485570717 /nfs/dbraw/zinc/57/07/17/485570717.db2.gz RIAYTMBGOODXSJ-PKOBYXMFSA-N 1 3 340.471 2.154 10 0 EEAEHO CC(C)OCC[NH+]1CCC(NC(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662488477 485596102 /nfs/dbraw/zinc/59/61/02/485596102.db2.gz PBUGFIDXMLNKQV-IBGZPJMESA-N 1 3 345.487 2.227 10 0 EEAEHO COC1([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CCOCC1 ZINC000453075375 536707099 /nfs/dbraw/zinc/70/70/99/536707099.db2.gz FCRHTNXQSNLMOD-IXDOHACOSA-N 1 3 328.497 2.050 10 0 EEAEHO C[N@@H+]1C[C@@H]2CN([C@H]3CCCN(Cc4ccccc4)C3=O)C[C@]2(C)C1 ZINC000933735974 676840942 /nfs/dbraw/zinc/84/09/42/676840942.db2.gz PINKJCKBGCSOKN-HBFSDRIKSA-N 1 3 327.472 2.061 10 0 EEAEHO C[N@H+]1C[C@@H]2CN([C@H]3CCCN(Cc4ccccc4)C3=O)C[C@]2(C)C1 ZINC000933735974 676840943 /nfs/dbraw/zinc/84/09/43/676840943.db2.gz PINKJCKBGCSOKN-HBFSDRIKSA-N 1 3 327.472 2.061 10 0 EEAEHO c1ccc(CCN2CC[C@@H](C[NH2+][C@H]3CCOC34CCOCC4)C2)cc1 ZINC000924938358 681737309 /nfs/dbraw/zinc/73/73/09/681737309.db2.gz KVLDXDZGGSADMO-PMACEKPBSA-N 1 3 344.499 2.479 10 0 EEAEHO CN(CCNCc1cccnc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001267442102 1179017286 /nfs/dbraw/zinc/01/72/86/1179017286.db2.gz XOMTWRMISKVXPU-UHFFFAOYSA-N 1 3 326.444 2.005 10 0 EEAEHO CN(C(=O)CCCC[NH+](C)C)[C@@H]1CCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001267776117 1180501684 /nfs/dbraw/zinc/50/16/84/1180501684.db2.gz FEZROFAIAUEEBY-SJORKVTESA-N 1 3 339.524 2.066 10 0 EEAEHO COCCN[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001481366828 1181137177 /nfs/dbraw/zinc/13/71/77/1181137177.db2.gz IUBGJLUSZSZVRI-SFHVURJKSA-N 1 3 347.503 2.344 10 0 EEAEHO CC[C@@H](F)C[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001481502268 1181579155 /nfs/dbraw/zinc/57/91/55/1181579155.db2.gz KCRKPMRBYRRQDM-DLBZAZTESA-N 1 3 327.488 2.247 10 0 EEAEHO CC[C@@H](F)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001481502268 1181579158 /nfs/dbraw/zinc/57/91/58/1181579158.db2.gz KCRKPMRBYRRQDM-DLBZAZTESA-N 1 3 327.488 2.247 10 0 EEAEHO C[C@@H](CNCc1ccnc(Cl)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268063218 1181649933 /nfs/dbraw/zinc/64/99/33/1181649933.db2.gz JHUDSEJYWXNMBX-GZBFAFLISA-N 1 3 338.883 2.012 10 0 EEAEHO C[C@@H](CNCc1ccnc(Cl)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268063218 1181649942 /nfs/dbraw/zinc/64/99/42/1181649942.db2.gz JHUDSEJYWXNMBX-GZBFAFLISA-N 1 3 338.883 2.012 10 0 EEAEHO O=C(CCCC[NH+]1CCCC1)N1CC[C@@H]2[C@@H](CCN2CCF)C1 ZINC001268269173 1182117455 /nfs/dbraw/zinc/11/74/55/1182117455.db2.gz LMXJJURDNQNTSB-DLBZAZTESA-N 1 3 325.472 2.145 10 0 EEAEHO Cc1oncc1CNC[C@](C)(NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001481933136 1182980972 /nfs/dbraw/zinc/98/09/72/1182980972.db2.gz XQFDRQIMBSZBQE-MJGOQNOKSA-N 1 3 348.491 2.232 10 0 EEAEHO Cc1oncc1CNC[C@](C)(NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001481933136 1182980978 /nfs/dbraw/zinc/98/09/78/1182980978.db2.gz XQFDRQIMBSZBQE-MJGOQNOKSA-N 1 3 348.491 2.232 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCc1ccccc1Cl ZINC001268574863 1183315242 /nfs/dbraw/zinc/31/52/42/1183315242.db2.gz MJRZWZSTKJNPHM-LAQIPUCWSA-N 1 3 335.879 2.239 10 0 EEAEHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1c(F)cccc1F)N(C)C ZINC001271012700 1185810482 /nfs/dbraw/zinc/81/04/82/1185810482.db2.gz HXTKAFNVTNHSSN-CXAGYDPISA-N 1 3 341.446 2.284 10 0 EEAEHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CCc1cccs1 ZINC001271628688 1186342876 /nfs/dbraw/zinc/34/28/76/1186342876.db2.gz IYDOKPJODQBBPW-CVEARBPZSA-N 1 3 349.544 2.459 10 0 EEAEHO C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)[C@@H]1CNCCF ZINC001482501781 1186418595 /nfs/dbraw/zinc/41/85/95/1186418595.db2.gz UAFCTOGLBNRKLF-IAGOWNOFSA-N 1 3 327.488 2.439 10 0 EEAEHO COCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001272035436 1187122050 /nfs/dbraw/zinc/12/20/50/1187122050.db2.gz WCACPOVIPWVWQE-RCCFBDPRSA-N 1 3 339.524 2.065 10 0 EEAEHO COCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001272035436 1187122051 /nfs/dbraw/zinc/12/20/51/1187122051.db2.gz WCACPOVIPWVWQE-RCCFBDPRSA-N 1 3 339.524 2.065 10 0 EEAEHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]CCC(F)(F)F)C1CCC1 ZINC001280442737 1187388267 /nfs/dbraw/zinc/38/82/67/1187388267.db2.gz DPHQAMGFFOZCGD-CQSZACIVSA-N 1 3 335.414 2.394 10 0 EEAEHO Cc1cnc(CNCC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)cn1 ZINC001482834356 1187753847 /nfs/dbraw/zinc/75/38/47/1187753847.db2.gz UPVLIQIHPKGCJX-HNNXBMFYSA-N 1 3 347.507 2.034 10 0 EEAEHO Cc1cc(CNCC[C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)on1 ZINC001482879992 1187788191 /nfs/dbraw/zinc/78/81/91/1187788191.db2.gz GEIUZWISKFPKKS-AWEZNQCLSA-N 1 3 344.459 2.343 10 0 EEAEHO C[C@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)CN1CC[C@@H](C)C1 ZINC001482871545 1187791320 /nfs/dbraw/zinc/79/13/20/1187791320.db2.gz PEIKJPJQQJPDEO-ZIAGYGMSSA-N 1 3 339.430 2.291 10 0 EEAEHO CC[C@@H](C(=O)NC/C=C/C[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C ZINC001483060554 1188355021 /nfs/dbraw/zinc/35/50/21/1188355021.db2.gz MIGPJXWNEPCNAQ-ZBKUBXTQSA-N 1 3 333.451 2.415 10 0 EEAEHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+]Cc1ccc2ncccc2c1 ZINC001483099449 1188477519 /nfs/dbraw/zinc/47/75/19/1188477519.db2.gz YIJCGTVIDZLNCT-SNAWJCMRSA-N 1 3 340.471 2.337 10 0 EEAEHO COc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)cc1C ZINC001483384915 1190433912 /nfs/dbraw/zinc/43/39/12/1190433912.db2.gz SUTLLFIASBTGSP-DOTOQJQBSA-N 1 3 347.503 2.282 10 0 EEAEHO COc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)cc1C ZINC001483384915 1190433914 /nfs/dbraw/zinc/43/39/14/1190433914.db2.gz SUTLLFIASBTGSP-DOTOQJQBSA-N 1 3 347.503 2.282 10 0 EEAEHO CN(CCC[NH2+]CC[C@H]1CCCC1(F)F)C(=O)[C@H]1CCCN1C ZINC001483456440 1190484959 /nfs/dbraw/zinc/48/49/59/1190484959.db2.gz WINZBZWBZNANNW-HUUCEWRRSA-N 1 3 331.451 2.344 10 0 EEAEHO Cc1ccc(C[NH2+]CCCN(C)C(=O)C2(N(C)C)CCC2)c(C)n1 ZINC001483469929 1190491874 /nfs/dbraw/zinc/49/18/74/1190491874.db2.gz DFRJQKBGMNOGQE-UHFFFAOYSA-N 1 3 332.492 2.121 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CNCc1c(C)noc1C)C1CC1 ZINC001483563028 1190552099 /nfs/dbraw/zinc/55/20/99/1190552099.db2.gz FUDQQOYVTXWDNV-ROUUACIJSA-N 1 3 348.491 2.150 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CNCc1c(C)noc1C)C1CC1 ZINC001483563028 1190552102 /nfs/dbraw/zinc/55/21/02/1190552102.db2.gz FUDQQOYVTXWDNV-ROUUACIJSA-N 1 3 348.491 2.150 10 0 EEAEHO CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1cc(C2CC2)no1 ZINC001483620766 1190602822 /nfs/dbraw/zinc/60/28/22/1190602822.db2.gz MIFOMBUMCMUSMD-PBHICJAKSA-N 1 3 348.491 2.220 10 0 EEAEHO CC(C)c1cccc(C[NH2+]C2(CNC(=O)[C@@H]3CCCCN3C)CC2)n1 ZINC001483759258 1190986340 /nfs/dbraw/zinc/98/63/40/1190986340.db2.gz AWIZEIHPFFQCSS-SFHVURJKSA-N 1 3 344.503 2.428 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC001483794132 1191033252 /nfs/dbraw/zinc/03/32/52/1191033252.db2.gz DPFHWIGESPKJBW-QGZVFWFLSA-N 1 3 333.451 2.392 10 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/nfs/dbraw/zinc/81/65/68/1191816568.db2.gz UQTJBTOQIWEPHO-GJZGRUSLSA-N 1 3 339.524 2.111 10 0 EEAEHO COC[C@H](C)N1CC([C@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001485513640 1191816570 /nfs/dbraw/zinc/81/65/70/1191816570.db2.gz UQTJBTOQIWEPHO-GJZGRUSLSA-N 1 3 339.524 2.111 10 0 EEAEHO Cc1cccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001486220531 1193758079 /nfs/dbraw/zinc/75/80/79/1193758079.db2.gz MLGUMQVBGRNNDA-SJORKVTESA-N 1 3 332.492 2.105 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CCOCC2)C1 ZINC001486221618 1193759032 /nfs/dbraw/zinc/75/90/32/1193759032.db2.gz UWVYXYHKKFEISJ-ROUUACIJSA-N 1 3 339.524 2.018 10 0 EEAEHO CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C(F)(F)F ZINC001486252757 1193779710 /nfs/dbraw/zinc/77/97/10/1193779710.db2.gz IIZZPDPPGXKJJF-TZMCWYRMSA-N 1 3 335.414 2.107 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C[C@@H]1C ZINC001410849913 1198500412 /nfs/dbraw/zinc/50/04/12/1198500412.db2.gz LNSRZOFYTRYXMY-RDJZCZTQSA-N 1 3 349.523 2.057 10 0 EEAEHO Cc1nc(C)c(C[NH2+]C[C@H]2CC[C@H](NC(=O)CN(C)C(C)C)C2)o1 ZINC001410962424 1198635616 /nfs/dbraw/zinc/63/56/16/1198635616.db2.gz RZJHPOUQXHZLKS-HOTGVXAUSA-N 1 3 336.480 2.006 10 0 EEAEHO CC[C@H](C(=O)NC1(C2CC[NH+](CC[C@@H](C)F)CC2)CC1)N(C)C ZINC001411251215 1198974449 /nfs/dbraw/zinc/97/44/49/1198974449.db2.gz DRALRLMQAYRJJS-GDBMZVCRSA-N 1 3 327.488 2.436 10 0 EEAEHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000813072406 1201098886 /nfs/dbraw/zinc/09/88/86/1201098886.db2.gz GQKVDLYJIGMCKM-DAYGRLMNSA-N 1 3 325.472 2.142 10 0 EEAEHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000813072406 1201098890 /nfs/dbraw/zinc/09/88/90/1201098890.db2.gz GQKVDLYJIGMCKM-DAYGRLMNSA-N 1 3 325.472 2.142 10 0 EEAEHO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000866115695 1201437287 /nfs/dbraw/zinc/43/72/87/1201437287.db2.gz VCMZJWKEPNIZKW-XMTFNYHQSA-N 1 3 333.520 2.345 10 0 EEAEHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC000866711267 1201586754 /nfs/dbraw/zinc/58/67/54/1201586754.db2.gz GNYPRAURCWITHP-SPUZQDLCSA-N 1 3 345.418 2.070 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC/C=C/CNCc2ccc(Cl)cc2)C1 ZINC001274498859 1205058333 /nfs/dbraw/zinc/05/83/33/1205058333.db2.gz RDMWVHGFZNSOCC-WOMSROEHSA-N 1 3 335.879 2.444 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC/C=C/CNCc2ccc(Cl)cc2)C1 ZINC001274498859 1205058338 /nfs/dbraw/zinc/05/83/38/1205058338.db2.gz RDMWVHGFZNSOCC-WOMSROEHSA-N 1 3 335.879 2.444 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C/C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001274577589 1205085368 /nfs/dbraw/zinc/08/53/68/1205085368.db2.gz BDVSMTQXQCXMDS-OWOJBTEDSA-N 1 3 327.472 2.033 10 0 EEAEHO Cc1cnc([C@H](C)NCCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC001276190654 1205825634 /nfs/dbraw/zinc/82/56/34/1205825634.db2.gz TUPWCCMAPAFBBW-ULQDDVLXSA-N 1 3 347.507 2.014 10 0 EEAEHO Cc1cnc([C@H](C)NCCCN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC001276190654 1205825635 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2.106 10 0 EEAEHO C[C@]12CN(C[C@H](O)C3(O)CCCC3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000931612865 1207425863 /nfs/dbraw/zinc/42/58/63/1207425863.db2.gz KCBZDNPUZXICKA-AABGKKOBSA-N 1 3 344.499 2.106 10 0 EEAEHO COC1(OC)CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1O ZINC000931638466 1207430745 /nfs/dbraw/zinc/43/07/45/1207430745.db2.gz PULLLYDHRXNAJD-IBGZPJMESA-N 1 3 348.487 2.228 10 0 EEAEHO C[N@@H+]1C[C@@H]2CN(C[C@@H]3CCN(C(=O)c4ccccc4)C3)C[C@]2(C)C1 ZINC000933732599 1207828505 /nfs/dbraw/zinc/82/85/05/1207828505.db2.gz UGRZFWYEVJJYJL-HQRMLTQVSA-N 1 3 327.472 2.032 10 0 EEAEHO C[N@H+]1C[C@@H]2CN(C[C@@H]3CCN(C(=O)c4ccccc4)C3)C[C@]2(C)C1 ZINC000933732599 1207828509 /nfs/dbraw/zinc/82/85/09/1207828509.db2.gz UGRZFWYEVJJYJL-HQRMLTQVSA-N 1 3 327.472 2.032 10 0 EEAEHO CCN1CCN(CCC[NH2+][C@@H](C)[C@H]2COc3ccccc3C2)CC1 ZINC000902745455 1238380844 /nfs/dbraw/zinc/38/08/44/1238380844.db2.gz OJMXALAETQPMAV-PKOBYXMFSA-N 1 3 331.504 2.243 10 0 EEAEHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cc(Cl)ccc1OC)C2 ZINC000903493693 1240661708 /nfs/dbraw/zinc/66/17/08/1240661708.db2.gz ZXRPAQGTOBMWLP-QEORTHHSSA-N 1 3 338.835 2.061 10 0 EEAEHO c1cc2c(cc1[C@@H]1CCCN1C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)OCCO2 ZINC000903717982 1241708273 /nfs/dbraw/zinc/70/82/73/1241708273.db2.gz GTUREIGNFUMNRJ-ABSDTBQOSA-N 1 3 344.455 2.363 10 0 EEAEHO c1ccc2c(c1)[C@H](C[C@H]1COCCN1)CN2C[C@H]1CCCC[NH2+]C1 ZINC000903788276 1241965588 /nfs/dbraw/zinc/96/55/88/1241965588.db2.gz HLVGYOHLVJTSCT-KSZLIROESA-N 1 3 329.488 2.358 10 0 EEAEHO COC(=O)c1ccc(OC)c2c1CCN(CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903937631 1242585445 /nfs/dbraw/zinc/58/54/45/1242585445.db2.gz OJPJHZWDAHVEMJ-GOOCMWNKSA-N 1 3 344.455 2.371 10 0 EEAEHO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000903955782 1242706888 /nfs/dbraw/zinc/70/68/88/1242706888.db2.gz YUQGMDMPOASASY-AWEZNQCLSA-N 1 3 336.386 2.420 10 0 EEAEHO Cc1cccc(C)c1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000853870434 1292500863 /nfs/dbraw/zinc/50/08/63/1292500863.db2.gz AANVOLKTLPQGFJ-KRWDZBQOSA-N 1 3 334.508 2.375 10 0 EEAEHO Cc1cccc(C)c1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000853870434 1292500870 /nfs/dbraw/zinc/50/08/70/1292500870.db2.gz AANVOLKTLPQGFJ-KRWDZBQOSA-N 1 3 334.508 2.375 10 0 EEAEHO CN(C)C1(C(=O)NCC2([NH2+]CCCCC(F)(F)F)CC2)CCC1 ZINC001277080024 1301183667 /nfs/dbraw/zinc/18/36/67/1301183667.db2.gz NYCYIIBOMFPWLR-UHFFFAOYSA-N 1 3 335.414 2.442 10 0 EEAEHO C[C@H](CCC[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)C1(N(C)C)CCC1 ZINC001277210763 1301836758 /nfs/dbraw/zinc/83/67/58/1301836758.db2.gz QFHGHFANXFSUDL-CVEARBPZSA-N 1 3 339.524 2.160 10 0 EEAEHO CC[C@H](C(=O)N1CCC2(C1)CC[NH+](CCCCOC)CC2)N(C)C ZINC001277490600 1303650647 /nfs/dbraw/zinc/65/06/47/1303650647.db2.gz UIJMYIZXOKIEOK-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1ccccc1CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001278300144 1309148858 /nfs/dbraw/zinc/14/88/58/1309148858.db2.gz FUCVJKSHGFHIHA-QFBILLFUSA-N 1 3 340.471 2.472 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NCc2ccc(CC[NH3+])cc2)cc(Cl)n1 ZINC000841847029 1315622284 /nfs/dbraw/zinc/62/22/84/1315622284.db2.gz GNHMLGFKICERPQ-INIZCTEOSA-N 1 3 346.862 2.251 10 0 EEAEHO CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001264675404 1322778163 /nfs/dbraw/zinc/77/81/63/1322778163.db2.gz DBZXVEHUKIZXQW-ROUUACIJSA-N 1 3 339.524 2.257 10 0 EEAEHO COCCCN1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265235613 1323001341 /nfs/dbraw/zinc/00/13/41/1323001341.db2.gz SSOOKXZPNMMGNY-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001265235613 1323001346 /nfs/dbraw/zinc/00/13/46/1323001346.db2.gz SSOOKXZPNMMGNY-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001265235613 1323001352 /nfs/dbraw/zinc/00/13/52/1323001352.db2.gz SSOOKXZPNMMGNY-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cncc(CN2CCC[C@@H](CNC(=O)CCCC[NH+](C)C)C2)c1 ZINC001265594883 1323252221 /nfs/dbraw/zinc/25/22/21/1323252221.db2.gz MZDWVOGCXMQSQY-SFHVURJKSA-N 1 3 346.519 2.450 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001265626182 1323277798 /nfs/dbraw/zinc/27/77/98/1323277798.db2.gz PQZCAQICXHLDOZ-MPYGFJLXSA-N 1 3 338.455 2.494 10 0 EEAEHO Cc1ccccc1OCC[NH2+]C1CC(N(C)C(=O)CN(C)C(C)C)C1 ZINC001279329449 1323876471 /nfs/dbraw/zinc/87/64/71/1323876471.db2.gz WGVQOYWTSUTOCQ-UHFFFAOYSA-N 1 3 347.503 2.293 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CC(F)(F)C2)C1)N(C)C ZINC001280094704 1324083723 /nfs/dbraw/zinc/08/37/23/1324083723.db2.gz NMGBQZZTIDSWOK-UKRRQHHQSA-N 1 3 331.451 2.200 10 0 EEAEHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOCC(C)C)N(C)C ZINC001317094440 1332076501 /nfs/dbraw/zinc/07/65/01/1332076501.db2.gz OCTWCMPJFQGFAI-HQSKLWIPSA-N 1 3 339.524 2.111 10 0 EEAEHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOCC(C)C)N(C)C ZINC001317094440 1332076502 /nfs/dbraw/zinc/07/65/02/1332076502.db2.gz OCTWCMPJFQGFAI-HQSKLWIPSA-N 1 3 339.524 2.111 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCCc2ccccc2)C1)N(C)C ZINC001317342998 1332187388 /nfs/dbraw/zinc/18/73/88/1332187388.db2.gz JAHRFHGRLBZUMK-RBUKOAKNSA-N 1 3 331.504 2.398 10 0 EEAEHO CC[C@@H](F)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001317584385 1332308829 /nfs/dbraw/zinc/30/88/29/1332308829.db2.gz DLMFASOQHYPCPO-HZPDHXFCSA-N 1 3 327.488 2.437 10 0 EEAEHO CC[C@@H](F)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001317584385 1332308832 /nfs/dbraw/zinc/30/88/32/1332308832.db2.gz DLMFASOQHYPCPO-HZPDHXFCSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(CCCCCF)C2)CC[N@@H+]1C ZINC001317943378 1332447985 /nfs/dbraw/zinc/44/79/85/1332447985.db2.gz IDVFTQZMHDRJSV-YESZJQIVSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(CCCCCF)C2)CC[N@H+]1C ZINC001317943378 1332447986 /nfs/dbraw/zinc/44/79/86/1332447986.db2.gz IDVFTQZMHDRJSV-YESZJQIVSA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1ncc(CNCC[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)o1 ZINC001318831850 1332606901 /nfs/dbraw/zinc/60/69/01/1332606901.db2.gz YMVAVXCJFTXQCD-WBVHZDCISA-N 1 3 348.491 2.043 10 0 EEAEHO Cc1ncc(CNCC[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)o1 ZINC001318831850 1332606903 /nfs/dbraw/zinc/60/69/03/1332606903.db2.gz YMVAVXCJFTXQCD-WBVHZDCISA-N 1 3 348.491 2.043 10 0 EEAEHO C[C@H](F)CC[NH2+]C/C=C\CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001321249992 1333055477 /nfs/dbraw/zinc/05/54/77/1333055477.db2.gz MYNHZHPSHORAKO-XGRZMECZSA-N 1 3 331.451 2.209 10 0 EEAEHO C[C@H](NC/C=C/CNC(=O)C12CC[NH+](CC1)C2)c1ccc(F)cc1 ZINC001321338354 1333078398 /nfs/dbraw/zinc/07/83/98/1333078398.db2.gz RGPCNLAZDSQCBU-FAAWYNLUSA-N 1 3 331.435 2.245 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001321755253 1333153163 /nfs/dbraw/zinc/15/31/63/1333153163.db2.gz ATHMBDFZRGPOQC-HIFRSBDPSA-N 1 3 338.883 2.204 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCCN[C@H](C)c1cnccn1 ZINC001322590690 1333289348 /nfs/dbraw/zinc/28/93/48/1333289348.db2.gz HGPPXINMCPQDKE-SJLPKXTDSA-N 1 3 347.507 2.096 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CCCN[C@H](C)c1cnccn1 ZINC001322590690 1333289353 /nfs/dbraw/zinc/28/93/53/1333289353.db2.gz HGPPXINMCPQDKE-SJLPKXTDSA-N 1 3 347.507 2.096 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C)nc2C)C1)N(C)C ZINC001326412410 1334088403 /nfs/dbraw/zinc/08/84/03/1334088403.db2.gz SKTWODAOXKDRJT-PKOBYXMFSA-N 1 3 346.519 2.367 10 0 EEAEHO Cc1nocc1CNCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001330898639 1334923369 /nfs/dbraw/zinc/92/33/69/1334923369.db2.gz INGBJMFCQPQVKK-YCPHGPKFSA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1nocc1CNCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001330898639 1334923370 /nfs/dbraw/zinc/92/33/70/1334923370.db2.gz INGBJMFCQPQVKK-YCPHGPKFSA-N 1 3 336.480 2.088 10 0 EEAEHO CCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCN1CC=CCC1 ZINC001614011844 1352317785 /nfs/dbraw/zinc/31/77/85/1352317785.db2.gz ILKPHDCIYPSNDJ-UHFFFAOYSA-N 1 3 346.523 2.023 10 0 EEAEHO CCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCN1CC=CCC1 ZINC001614011844 1352317787 /nfs/dbraw/zinc/31/77/87/1352317787.db2.gz ILKPHDCIYPSNDJ-UHFFFAOYSA-N 1 3 346.523 2.023 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001660380281 1354453891 /nfs/dbraw/zinc/45/38/91/1354453891.db2.gz TVHMPBQYWOLHRJ-LBPRGKRZSA-N 1 3 347.290 2.283 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001660380281 1354453892 /nfs/dbraw/zinc/45/38/92/1354453892.db2.gz TVHMPBQYWOLHRJ-LBPRGKRZSA-N 1 3 347.290 2.283 10 0 EEAEHO CN(C[C@@H]1CCN1C[C@@H]1CCC(F)(F)C1)C(=O)C1(C[NH+](C)C)CC1 ZINC001436330869 1342034573 /nfs/dbraw/zinc/03/45/73/1342034573.db2.gz NOOTTWJVPJUZCD-CABCVRRESA-N 1 3 343.462 2.296 10 0 EEAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCOC2CCC2)CCC1 ZINC001673238237 1356657211 /nfs/dbraw/zinc/65/72/11/1356657211.db2.gz NYVWBHRBBHOHNK-IYBDPMFKSA-N 1 3 337.508 2.057 10 0 EEAEHO C[C@@H](CCC[NH2+]Cc1cnn(C)c1)NC(=O)C(C)(C)N1CCCCC1 ZINC001571257939 1343171004 /nfs/dbraw/zinc/17/10/04/1343171004.db2.gz UUSAPAMTMISWMN-INIZCTEOSA-N 1 3 349.523 2.059 10 0 EEAEHO Cc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(N)cc1F ZINC001627269686 1352489875 /nfs/dbraw/zinc/48/98/75/1352489875.db2.gz ASNBZRQUHLMUFG-UHFFFAOYSA-N 1 3 348.466 2.005 10 0 EEAEHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN2CCC)CCO1 ZINC001649457785 1353515852 /nfs/dbraw/zinc/51/58/52/1353515852.db2.gz MMLHSYQTEJZWRE-PJHKVULZSA-N 1 3 337.508 2.034 10 0 EEAEHO COCCCC[NH2+][C@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001656899430 1354296528 /nfs/dbraw/zinc/29/65/28/1354296528.db2.gz ORCAYHQSPMRNSY-MSOLQXFVSA-N 1 3 339.524 2.116 10 0 EEAEHO Cc1cncc(C[N@@H+](C)CCCNC(=O)CN2CCC(C)CC2)c1 ZINC001660346753 1354445949 /nfs/dbraw/zinc/44/59/49/1354445949.db2.gz XKJDWYXECBBANV-UHFFFAOYSA-N 1 3 332.492 2.060 10 0 EEAEHO Cc1cncc(C[N@H+](C)CCCNC(=O)CN2CCC(C)CC2)c1 ZINC001660346753 1354445952 /nfs/dbraw/zinc/44/59/52/1354445952.db2.gz XKJDWYXECBBANV-UHFFFAOYSA-N 1 3 332.492 2.060 10 0 EEAEHO C[NH+](C)CCCCC(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001663634887 1355008180 /nfs/dbraw/zinc/00/81/80/1355008180.db2.gz YZWKBYIAAMZBCI-INIZCTEOSA-N 1 3 335.467 2.496 10 0 EEAEHO Cc1nn(C(C)C)cc1CNCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001664391335 1355152984 /nfs/dbraw/zinc/15/29/84/1355152984.db2.gz IMILSVKHKUMLSQ-IYBDPMFKSA-N 1 3 349.523 2.193 10 0 EEAEHO Cc1nn(C(C)C)cc1CNCCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001664391335 1355152987 /nfs/dbraw/zinc/15/29/87/1355152987.db2.gz IMILSVKHKUMLSQ-IYBDPMFKSA-N 1 3 349.523 2.193 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]Cc1cncc(F)c1 ZINC001667239369 1355683984 /nfs/dbraw/zinc/68/39/84/1355683984.db2.gz XTRJVYGZMDUPMH-ROUUACIJSA-N 1 3 348.466 2.176 10 0 EEAEHO CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cnoc1C)N(C)C ZINC001667262755 1355692195 /nfs/dbraw/zinc/69/21/95/1355692195.db2.gz QPFZAJMIWQOAIR-IAGOWNOFSA-N 1 3 336.480 2.184 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001668280051 1355914541 /nfs/dbraw/zinc/91/45/41/1355914541.db2.gz YWNGRURBVOPZJF-GXTWGEPZSA-N 1 3 326.872 2.060 10 0 EEAEHO C[C@H]1CC[N@H+](CC(=O)NC/C=C/CNCc2cc(F)cc(F)c2)C1 ZINC001669038831 1356073771 /nfs/dbraw/zinc/07/37/71/1356073771.db2.gz FOPOKXAPZTZSCD-HSWBROFVSA-N 1 3 337.414 2.069 10 0 EEAEHO C[C@H]1CC[N@@H+](CC(=O)NC/C=C/CNCc2cc(F)cc(F)c2)C1 ZINC001669038831 1356073778 /nfs/dbraw/zinc/07/37/78/1356073778.db2.gz FOPOKXAPZTZSCD-HSWBROFVSA-N 1 3 337.414 2.069 10 0 EEAEHO CN(C)C1(C(=O)N(C)CCC[NH2+]Cc2ccc(Cl)nc2)CCC1 ZINC001670123745 1356280183 /nfs/dbraw/zinc/28/01/83/1356280183.db2.gz CQESUDZAZZDNCK-UHFFFAOYSA-N 1 3 338.883 2.157 10 0 EEAEHO CN(C(=O)CCCC[NH+](C)C)C1CCC(NCc2nccn2C)CC1 ZINC001674809029 1356899368 /nfs/dbraw/zinc/89/93/68/1356899368.db2.gz SYSBZLUCFVEYCO-UHFFFAOYSA-N 1 3 349.523 2.011 10 0 EEAEHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCCCCF ZINC001698898231 1405138335 /nfs/dbraw/zinc/13/83/35/1405138335.db2.gz MTLQQVYDXZZAKP-CVEARBPZSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@@H](CC[NH2+]CC[C@H]1CCOC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001699101819 1405254143 /nfs/dbraw/zinc/25/41/43/1405254143.db2.gz XQGJGTMWYSGBOA-IRXDYDNUSA-N 1 3 339.524 2.162 10 0 EEAEHO COCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001699848673 1405525291 /nfs/dbraw/zinc/52/52/91/1405525291.db2.gz QVSBJYJDKCKTIW-MJGOQNOKSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc(Cl)n1 ZINC000844172895 788885183 /nfs/dbraw/zinc/88/51/83/788885183.db2.gz JDHQBGSCHPVTCT-ZFWWWQNUSA-N 1 3 338.883 2.234 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc(Cl)n1 ZINC000844172895 788885192 /nfs/dbraw/zinc/88/51/92/788885192.db2.gz JDHQBGSCHPVTCT-ZFWWWQNUSA-N 1 3 338.883 2.234 10 0 EEAEHO C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000923410588 789516893 /nfs/dbraw/zinc/51/68/93/789516893.db2.gz IZIZXHACKYPMSY-WZRBSPASSA-N 1 3 333.259 2.260 10 0 EEAEHO CCN(C(=O)[C@H](C)N1CCC2(CO[C@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000923457327 789574875 /nfs/dbraw/zinc/57/48/75/789574875.db2.gz TYSARKJMBITQCZ-WMZOPIPTSA-N 1 3 345.487 2.258 10 0 EEAEHO CCOCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001566074917 1125547549 /nfs/dbraw/zinc/54/75/49/1125547549.db2.gz DJLMAWORKXAPFP-QZTJIDSGSA-N 1 3 341.540 2.360 10 0 EEAEHO COCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001566533071 1125703077 /nfs/dbraw/zinc/70/30/77/1125703077.db2.gz KMESKEMYNFDNNS-IAGOWNOFSA-N 1 3 341.540 2.360 10 0 EEAEHO C[C@@H]([NH2+]CCOCC1CCC1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001566532866 1125703100 /nfs/dbraw/zinc/70/31/00/1125703100.db2.gz JEJUIPQCAWKQHF-CRAIPNDOSA-N 1 3 348.491 2.128 10 0 EEAEHO CO[C@@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001436418138 1087775818 /nfs/dbraw/zinc/77/58/18/1087775818.db2.gz WLFDVHQGIURXAY-YESZJQIVSA-N 1 3 339.524 2.160 10 0 EEAEHO Cc1cc(CNC[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)sn1 ZINC001437050760 1088940004 /nfs/dbraw/zinc/94/00/04/1088940004.db2.gz QZAGQVNOYZVGAK-HNNXBMFYSA-N 1 3 338.521 2.264 10 0 EEAEHO Cc1cncc(C[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)CN(C)C(C)C)C2)c1 ZINC001437058717 1088960459 /nfs/dbraw/zinc/96/04/59/1088960459.db2.gz KOTYWNKGJFQENJ-IEBWSBKVSA-N 1 3 346.519 2.447 10 0 EEAEHO Cc1cncc(C[N@@H+]2CCC[C@@H]([C@@H](C)NC(=O)CN(C)C(C)C)C2)c1 ZINC001437058717 1088960463 /nfs/dbraw/zinc/96/04/63/1088960463.db2.gz KOTYWNKGJFQENJ-IEBWSBKVSA-N 1 3 346.519 2.447 10 0 EEAEHO CN(CC[NH2+][C@@H]1CCc2c1cc(F)cc2F)C(=O)CN1CCCC1 ZINC001437846866 1090430283 /nfs/dbraw/zinc/43/02/83/1090430283.db2.gz NYGWQDNDUNVBGH-QGZVFWFLSA-N 1 3 337.414 2.096 10 0 EEAEHO Cc1nn(C(C)C)cc1CNC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001445385734 1091129829 /nfs/dbraw/zinc/12/98/29/1091129829.db2.gz LKWKFYSHLNYIFY-CRAIPNDOSA-N 1 3 349.523 2.241 10 0 EEAEHO Cc1nn(C(C)C)cc1CNC[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001445385734 1091129830 /nfs/dbraw/zinc/12/98/30/1091129830.db2.gz LKWKFYSHLNYIFY-CRAIPNDOSA-N 1 3 349.523 2.241 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(C)ccc1OC ZINC001439182859 1091831490 /nfs/dbraw/zinc/83/14/90/1091831490.db2.gz UZTZFLBFNHYGKW-SJLPKXTDSA-N 1 3 347.503 2.472 10 0 EEAEHO COc1cccc(CN(C)C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001439373601 1092110961 /nfs/dbraw/zinc/11/09/61/1092110961.db2.gz USOIFNLVZKIGIE-BQFCYCMXSA-N 1 3 347.503 2.362 10 0 EEAEHO COc1cccc(CN(C)C[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001439373601 1092110966 /nfs/dbraw/zinc/11/09/66/1092110966.db2.gz USOIFNLVZKIGIE-BQFCYCMXSA-N 1 3 347.503 2.362 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@@](C)(C[NH2+]CC3CC3)C2)C1 ZINC001439880576 1092928081 /nfs/dbraw/zinc/92/80/81/1092928081.db2.gz BPRQNGBBNPCINK-RBUKOAKNSA-N 1 3 339.499 2.437 10 0 EEAEHO O=C(NCC1(NCc2cccnc2)CCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001440344145 1093493081 /nfs/dbraw/zinc/49/30/81/1093493081.db2.gz RSYUNNJJIMSHLU-ZWKOTPCHSA-N 1 3 342.487 2.227 10 0 EEAEHO O=C(NCC1(NCc2cccnc2)CCC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001440344145 1093493090 /nfs/dbraw/zinc/49/30/90/1093493090.db2.gz RSYUNNJJIMSHLU-ZWKOTPCHSA-N 1 3 342.487 2.227 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2C)C1)N(C)C ZINC001448514546 1093542683 /nfs/dbraw/zinc/54/26/83/1093542683.db2.gz FZAFFWNKQOUFLO-WBAXXEDZSA-N 1 3 335.467 2.459 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ncccc1C)C(C)(C)C)N(C)C ZINC001449309771 1094263160 /nfs/dbraw/zinc/26/31/60/1094263160.db2.gz OHTGZIYBWIPPQM-SJORKVTESA-N 1 3 334.508 2.351 10 0 EEAEHO CCCC[C@@H](CNCc1cncc(F)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001441134793 1094464607 /nfs/dbraw/zinc/46/46/07/1094464607.db2.gz LGMGFMVBUGMAQA-KRWDZBQOSA-N 1 3 348.466 2.081 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1[C@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@@H]12 ZINC001441310387 1094764600 /nfs/dbraw/zinc/76/46/00/1094764600.db2.gz DQNBMFRDJPKLLA-VAHSIYPMSA-N 1 3 341.499 2.334 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1[C@H]2C[N@H+](C/C=C/c3ccccc3)C[C@@H]12 ZINC001441310387 1094764617 /nfs/dbraw/zinc/76/46/17/1094764617.db2.gz DQNBMFRDJPKLLA-VAHSIYPMSA-N 1 3 341.499 2.334 10 0 EEAEHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001441597948 1095440113 /nfs/dbraw/zinc/44/01/13/1095440113.db2.gz MEKVMDZWPWZOBO-DLBZAZTESA-N 1 3 343.515 2.454 10 0 EEAEHO Cc1conc1CN[C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001441889612 1096024506 /nfs/dbraw/zinc/02/45/06/1096024506.db2.gz ZEVHLXNGZWJGIF-BRWVUGGUSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1ccc(CN(C)CCNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1C ZINC001442400833 1096721425 /nfs/dbraw/zinc/72/14/25/1096721425.db2.gz IIVXCWORIKWJMM-IBGZPJMESA-N 1 3 329.488 2.193 10 0 EEAEHO CC(C)OCCN1CCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001442826598 1097217118 /nfs/dbraw/zinc/21/71/18/1097217118.db2.gz NLYSNBTZQQEFDZ-QZTJIDSGSA-N 1 3 339.524 2.257 10 0 EEAEHO CCCN(C)CC(=O)N(C)C1CC[NH+](C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001479896102 1099276214 /nfs/dbraw/zinc/27/62/14/1099276214.db2.gz WUEMTVISVSSHOW-IRXDYDNUSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1N(C)C)N(C)C ZINC001444616771 1099442731 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339.524 2.257 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC[C@@H](C)O)CC1 ZINC001495455638 1101167534 /nfs/dbraw/zinc/16/75/34/1101167534.db2.gz RVMZEWMWGNHMOX-BRSBDYLESA-N 1 3 339.524 2.037 10 0 EEAEHO CC[C@H](F)CN1CCC(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001495517172 1101230460 /nfs/dbraw/zinc/23/04/60/1101230460.db2.gz JERAZYRROYCGHX-ROUUACIJSA-N 1 3 339.499 2.295 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CCCCC(F)(F)F ZINC001495581886 1101289185 /nfs/dbraw/zinc/28/91/85/1101289185.db2.gz JMAHXKMOPDTGDA-CYBMUJFWSA-N 1 3 332.370 2.265 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(C)nc2C)C1 ZINC001446949507 1101642998 /nfs/dbraw/zinc/64/29/98/1101642998.db2.gz QNVCVTTULTZNAL-LPHOPBHVSA-N 1 3 346.519 2.367 10 0 EEAEHO COc1cc(C[NH2+]CC[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)ccc1C ZINC001497270370 1102226653 /nfs/dbraw/zinc/22/66/53/1102226653.db2.gz BNBHJVDWXWLFHU-NVXWUHKLSA-N 1 3 347.503 2.330 10 0 EEAEHO Cc1ncoc1CNCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001497329361 1102334300 /nfs/dbraw/zinc/33/43/00/1102334300.db2.gz BDHCKKXGZXOQPL-YOEHRIQHSA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001497691226 1102912079 /nfs/dbraw/zinc/91/20/79/1102912079.db2.gz KOXMAUZSCYPFMM-XFHJGTJQSA-N 1 3 344.503 2.417 10 0 EEAEHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNCc1cnccc1C ZINC001497761897 1103050842 /nfs/dbraw/zinc/05/08/42/1103050842.db2.gz CNATUCSAUXDTIF-OOFWQKGWSA-N 1 3 330.476 2.026 10 0 EEAEHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNCc1cnccc1C ZINC001497761897 1103050858 /nfs/dbraw/zinc/05/08/58/1103050858.db2.gz CNATUCSAUXDTIF-OOFWQKGWSA-N 1 3 330.476 2.026 10 0 EEAEHO Cc1ccccc1OCCCN1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001494288424 1103826041 /nfs/dbraw/zinc/82/60/41/1103826041.db2.gz KOKRBCTZADEHRK-GOSISDBHSA-N 1 3 347.503 2.296 10 0 EEAEHO C[C@@H](O)C[NH2+]CC1(NC(=O)[C@@H](C)N2CCCCCC2)CCCCC1 ZINC001448224540 1104210835 /nfs/dbraw/zinc/21/08/35/1104210835.db2.gz KKHYJJDXKIBNOU-IAGOWNOFSA-N 1 3 339.524 2.040 10 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/nfs/dbraw/zinc/03/59/27/320035927.db2.gz NOHDBRODGQEHQV-DZOHQFGASA-N 1 3 330.476 2.119 10 0 EEAEHO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000576688934 320195141 /nfs/dbraw/zinc/19/51/41/320195141.db2.gz XJKDBCWLSGYKEH-CRAIPNDOSA-N 1 3 330.476 2.476 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)NC[C@H](C)[NH+](CC)CC)cc2)CC1 ZINC000118771094 462851501 /nfs/dbraw/zinc/85/15/01/462851501.db2.gz JAIFHEZNIXGSHP-KRWDZBQOSA-N 1 3 346.519 2.289 10 0 EEAEHO CN(C)C[C@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000048216588 462874553 /nfs/dbraw/zinc/87/45/53/462874553.db2.gz DYMCFGMAXCMGHP-SFHVURJKSA-N 1 3 330.476 2.215 10 0 EEAEHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000052522936 463085434 /nfs/dbraw/zinc/08/54/34/463085434.db2.gz RKTMKLMTVRMDNI-LJQANCHMSA-N 1 3 344.503 2.353 10 0 EEAEHO O=C(NC1CCN(C2CC2)CC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107829486 463584793 /nfs/dbraw/zinc/58/47/93/463584793.db2.gz GMQFQNHRGJGYEX-GOSISDBHSA-N 1 3 334.508 2.273 10 0 EEAEHO C[C@H]1CN(C(=O)CCN(C)c2ccncc2)CC[N@@H+](C2CCC2)C1 ZINC000553526611 468371619 /nfs/dbraw/zinc/37/16/19/468371619.db2.gz ZPZLQGBDYIGQHC-MRXNPFEDSA-N 1 3 330.476 2.241 10 0 EEAEHO C[C@H]1CN(C(=O)CCN(C)c2ccncc2)CC[N@H+](C2CCC2)C1 ZINC000553526611 468371622 /nfs/dbraw/zinc/37/16/22/468371622.db2.gz ZPZLQGBDYIGQHC-MRXNPFEDSA-N 1 3 330.476 2.241 10 0 EEAEHO C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)NCCF ZINC000282964094 463717031 /nfs/dbraw/zinc/71/70/31/463717031.db2.gz ZVOLFGNLFPHZOJ-NRSFXHEJSA-N 1 3 333.451 2.246 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522832092 468377486 /nfs/dbraw/zinc/37/74/86/468377486.db2.gz GVIKMXGNASQYKY-IEBWSBKVSA-N 1 3 344.503 2.284 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522832092 468377492 /nfs/dbraw/zinc/37/74/92/468377492.db2.gz GVIKMXGNASQYKY-IEBWSBKVSA-N 1 3 344.503 2.284 10 0 EEAEHO C[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)N1CCN(C)CC1 ZINC000268918902 463808810 /nfs/dbraw/zinc/80/88/10/463808810.db2.gz VYSPZEMWNGXWFV-SVFBPWRDSA-N 1 3 344.547 2.123 10 0 EEAEHO c1cnc(N2CCC[C@@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)nc1 ZINC000294330407 464468684 /nfs/dbraw/zinc/46/86/84/464468684.db2.gz XOZYDFOYQOTOPA-QGZVFWFLSA-N 1 3 338.459 2.099 10 0 EEAEHO CN(CC(=O)OC(C)(C)C)C1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000191985829 464840851 /nfs/dbraw/zinc/84/08/51/464840851.db2.gz RDLDJUQQQMGHLN-MRXNPFEDSA-N 1 3 339.524 2.209 10 0 EEAEHO CN(CC(=O)OC(C)(C)C)C1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000191985829 464840855 /nfs/dbraw/zinc/84/08/55/464840855.db2.gz RDLDJUQQQMGHLN-MRXNPFEDSA-N 1 3 339.524 2.209 10 0 EEAEHO CN(CC(=O)OC(C)(C)C)C1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000191985829 464840859 /nfs/dbraw/zinc/84/08/59/464840859.db2.gz RDLDJUQQQMGHLN-MRXNPFEDSA-N 1 3 339.524 2.209 10 0 EEAEHO Cc1nc2sccn2c(=O)c1CCN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000286274424 464862881 /nfs/dbraw/zinc/86/28/81/464862881.db2.gz FGKJKTBNTOXZHS-GXTWGEPZSA-N 1 3 334.489 2.021 10 0 EEAEHO Cc1nc2sccn2c(=O)c1CCN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000286274424 464862889 /nfs/dbraw/zinc/86/28/89/464862889.db2.gz FGKJKTBNTOXZHS-GXTWGEPZSA-N 1 3 334.489 2.021 10 0 EEAEHO CN(C)CCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000267017363 464905958 /nfs/dbraw/zinc/90/59/58/464905958.db2.gz HXSKQLJQTJNFSL-YQQQUEKLSA-N 1 3 344.503 2.385 10 0 EEAEHO CN(C)CCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000267017363 464905964 /nfs/dbraw/zinc/90/59/64/464905964.db2.gz HXSKQLJQTJNFSL-YQQQUEKLSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C[C@H]2CC[N@H+](C)C2)C1 ZINC000252497902 464969031 /nfs/dbraw/zinc/96/90/31/464969031.db2.gz HPJYOGXRMXEUTN-AOIWGVFYSA-N 1 3 344.503 2.415 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000252497902 464969038 /nfs/dbraw/zinc/96/90/38/464969038.db2.gz HPJYOGXRMXEUTN-AOIWGVFYSA-N 1 3 344.503 2.415 10 0 EEAEHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000337686789 465517542 /nfs/dbraw/zinc/51/75/42/465517542.db2.gz QQMIPPHFNWKPHA-RTBURBONSA-N 1 3 346.519 2.190 10 0 EEAEHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000337686789 465517549 /nfs/dbraw/zinc/51/75/49/465517549.db2.gz QQMIPPHFNWKPHA-RTBURBONSA-N 1 3 346.519 2.190 10 0 EEAEHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000299112217 465607575 /nfs/dbraw/zinc/60/75/75/465607575.db2.gz QTLNPDIXHDIIRL-RTBURBONSA-N 1 3 346.519 2.190 10 0 EEAEHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000299112217 465607586 /nfs/dbraw/zinc/60/75/86/465607586.db2.gz QTLNPDIXHDIIRL-RTBURBONSA-N 1 3 346.519 2.190 10 0 EEAEHO O=C(CC[NH2+]C[C@H](O)CN1CCCCC1)Nc1ccc(Cl)cc1 ZINC000579959027 468443626 /nfs/dbraw/zinc/44/36/26/468443626.db2.gz YETIUSPJTQPXLQ-INIZCTEOSA-N 1 3 339.867 2.105 10 0 EEAEHO CN(C(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1CCN(C2CC2)C1 ZINC000349721280 466205359 /nfs/dbraw/zinc/20/53/59/466205359.db2.gz HVOMYYBWZHKCLQ-GOSISDBHSA-N 1 3 330.476 2.126 10 0 EEAEHO CN(C(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1CCN(C2CC2)C1 ZINC000349721281 466205505 /nfs/dbraw/zinc/20/55/05/466205505.db2.gz HVOMYYBWZHKCLQ-SFHVURJKSA-N 1 3 330.476 2.126 10 0 EEAEHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(C(C)(C)N)no2)cc1 ZINC000662411871 472101735 /nfs/dbraw/zinc/10/17/35/472101735.db2.gz ZDMMEOAZENKVIU-AWEZNQCLSA-N 1 3 330.432 2.422 10 0 EEAEHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417323293 466834620 /nfs/dbraw/zinc/83/46/20/466834620.db2.gz GUCSBLIFPWHKOJ-MSOLQXFVSA-N 1 3 346.519 2.320 10 0 EEAEHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417656893 466900710 /nfs/dbraw/zinc/90/07/10/466900710.db2.gz VMTAHAJDIRITIW-MOPGFXCFSA-N 1 3 342.487 2.187 10 0 EEAEHO C[C@]1(CNC(=O)N2CC[C@@H](C[NH3+])C2)CCCN1Cc1ccccc1 ZINC000418039367 467030958 /nfs/dbraw/zinc/03/09/58/467030958.db2.gz HEJLAKSNKXPKGS-PKOBYXMFSA-N 1 3 330.476 2.031 10 0 EEAEHO C[C@@]1(CNC(=O)NCCC[NH2+]C2CC2)CCCN1Cc1ccccc1 ZINC000418048777 467034435 /nfs/dbraw/zinc/03/44/35/467034435.db2.gz WHHXIEUEDCTJEH-FQEVSTJZSA-N 1 3 344.503 2.482 10 0 EEAEHO CCc1ccccc1[C@@H](N)CNC(=O)NCCCC[N@H+](C)C1CC1 ZINC000418260180 467085281 /nfs/dbraw/zinc/08/52/81/467085281.db2.gz GPHAYNLOXWRBAW-SFHVURJKSA-N 1 3 332.492 2.422 10 0 EEAEHO CCc1ccccc1[C@@H](N)CNC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000418260180 467085285 /nfs/dbraw/zinc/08/52/85/467085285.db2.gz GPHAYNLOXWRBAW-SFHVURJKSA-N 1 3 332.492 2.422 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000418591033 467133049 /nfs/dbraw/zinc/13/30/49/467133049.db2.gz KAPMJOGRVHZEBW-ZHALLVOQSA-N 1 3 344.503 2.148 10 0 EEAEHO c1cc(C[NH+]2CCCCC2)cc(-c2noc(CCOC3CNC3)n2)c1 ZINC000414621240 467423378 /nfs/dbraw/zinc/42/33/78/467423378.db2.gz LRBVUOYNDHCWEZ-UHFFFAOYSA-N 1 3 342.443 2.253 10 0 EEAEHO CC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000397569845 467442598 /nfs/dbraw/zinc/44/25/98/467442598.db2.gz XVBPIOYMBJRFPP-MOPGFXCFSA-N 1 3 332.488 2.418 10 0 EEAEHO CC1(C)[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@H]2CCO[C@@H]21 ZINC000397585616 467443386 /nfs/dbraw/zinc/44/33/86/467443386.db2.gz IYFOMXVTTIDRHP-QRVBRYPASA-N 1 3 344.499 2.417 10 0 EEAEHO C[C@@H](CNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)[NH+](C)C ZINC000454840617 467619611 /nfs/dbraw/zinc/61/96/11/467619611.db2.gz RFEJOXHEVFRFKH-QFBILLFUSA-N 1 3 332.492 2.290 10 0 EEAEHO C[C@@H](CNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)N(C)C ZINC000454840617 467619613 /nfs/dbraw/zinc/61/96/13/467619613.db2.gz RFEJOXHEVFRFKH-QFBILLFUSA-N 1 3 332.492 2.290 10 0 EEAEHO C[C@@H](CNC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)N(C)C ZINC000454840617 467619615 /nfs/dbraw/zinc/61/96/15/467619615.db2.gz RFEJOXHEVFRFKH-QFBILLFUSA-N 1 3 332.492 2.290 10 0 EEAEHO C[C@@H](CNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1)[NH+](C)C ZINC000455436894 467682291 /nfs/dbraw/zinc/68/22/91/467682291.db2.gz VEYTYOVPCCJIHQ-LZWOXQAQSA-N 1 3 338.521 2.380 10 0 EEAEHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530029955 467942151 /nfs/dbraw/zinc/94/21/51/467942151.db2.gz QPQKBEHGNOWHSG-SFHVURJKSA-N 1 3 349.519 2.155 10 0 EEAEHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000530029955 467942152 /nfs/dbraw/zinc/94/21/52/467942152.db2.gz QPQKBEHGNOWHSG-SFHVURJKSA-N 1 3 349.519 2.155 10 0 EEAEHO FC(F)O[C@H]1CCN(CCCC[N@@H+]2CC[C@H](OC(F)F)C2)C1 ZINC000549413502 468183869 /nfs/dbraw/zinc/18/38/69/468183869.db2.gz CDHLTOZVQNIXBU-RYUDHWBXSA-N 1 3 328.350 2.394 10 0 EEAEHO FC(F)O[C@H]1CCN(CCCC[N@H+]2CC[C@H](OC(F)F)C2)C1 ZINC000549413502 468183874 /nfs/dbraw/zinc/18/38/74/468183874.db2.gz CDHLTOZVQNIXBU-RYUDHWBXSA-N 1 3 328.350 2.394 10 0 EEAEHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000533913464 468227785 /nfs/dbraw/zinc/22/77/85/468227785.db2.gz DZDVMDMNLNFISC-NEWSRXKRSA-N 1 3 344.503 2.461 10 0 EEAEHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000533913464 468227787 /nfs/dbraw/zinc/22/77/87/468227787.db2.gz DZDVMDMNLNFISC-NEWSRXKRSA-N 1 3 344.503 2.461 10 0 EEAEHO CCOc1ccc(OC[C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000578859265 468268574 /nfs/dbraw/zinc/26/85/74/468268574.db2.gz KXIZGUIIWALBST-HQSKLWIPSA-N 1 3 348.487 2.430 10 0 EEAEHO CCOc1ccc(OC[C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000578859265 468268581 /nfs/dbraw/zinc/26/85/81/468268581.db2.gz KXIZGUIIWALBST-HQSKLWIPSA-N 1 3 348.487 2.430 10 0 EEAEHO C[NH+](C)C1CCC(NC(=O)N2CCc3ccccc3[C@H]2CN)CC1 ZINC000570160098 468598104 /nfs/dbraw/zinc/59/81/04/468598104.db2.gz WKWUEQJKWUKPQK-LEOMRAHMSA-N 1 3 330.476 2.127 10 0 EEAEHO C[C@H](NC(=O)CN1CC[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557667395 468645585 /nfs/dbraw/zinc/64/55/85/468645585.db2.gz LUVAOLCWWGKNFJ-AOIWGVFYSA-N 1 3 329.488 2.355 10 0 EEAEHO C[C@H](NC(=O)CN1CC[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000557667395 468645589 /nfs/dbraw/zinc/64/55/89/468645589.db2.gz LUVAOLCWWGKNFJ-AOIWGVFYSA-N 1 3 329.488 2.355 10 0 EEAEHO CC[C@H](CNC(=O)N[C@H]1CCCN(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000618555435 469388217 /nfs/dbraw/zinc/38/82/17/469388217.db2.gz XRLGZWMINHZYFO-RBUKOAKNSA-N 1 3 344.503 2.217 10 0 EEAEHO CC[C@H](CNC(=O)N[C@H]1CCCN(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000618555435 469388225 /nfs/dbraw/zinc/38/82/25/469388225.db2.gz XRLGZWMINHZYFO-RBUKOAKNSA-N 1 3 344.503 2.217 10 0 EEAEHO [NH3+]C1(CN[C@H]2CCc3cc(Br)ccc3C2)CCOCC1 ZINC000629387641 469528203 /nfs/dbraw/zinc/52/82/03/469528203.db2.gz KKVMTCKOUOKHCL-HNNXBMFYSA-N 1 3 339.277 2.404 10 0 EEAEHO COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC2(N)CCOCC2)cc1 ZINC000629521751 469571419 /nfs/dbraw/zinc/57/14/19/469571419.db2.gz SUIQKCBLLDPTFS-LJQANCHMSA-N 1 3 341.455 2.472 10 0 EEAEHO C[C@]1(NC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC[NH2+]C1 ZINC000612902162 469576226 /nfs/dbraw/zinc/57/62/26/469576226.db2.gz RBFYCPKWRKWIQK-OALUTQOASA-N 1 3 330.476 2.092 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2ccncc2c1 ZINC000617502522 469699592 /nfs/dbraw/zinc/69/95/92/469699592.db2.gz SAHVLNUQCGYOIS-HNNXBMFYSA-N 1 3 328.460 2.237 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2ccncc2c1 ZINC000617502522 469699595 /nfs/dbraw/zinc/69/95/95/469699595.db2.gz SAHVLNUQCGYOIS-HNNXBMFYSA-N 1 3 328.460 2.237 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCOc2ccccc21 ZINC000617505751 469704523 /nfs/dbraw/zinc/70/45/23/469704523.db2.gz ONVTVCKNFHIPMC-DLBZAZTESA-N 1 3 347.503 2.331 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCOc2ccccc21 ZINC000617505751 469704525 /nfs/dbraw/zinc/70/45/25/469704525.db2.gz ONVTVCKNFHIPMC-DLBZAZTESA-N 1 3 347.503 2.331 10 0 EEAEHO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1[C@@H](C)C1CC1 ZINC000617506623 469705708 /nfs/dbraw/zinc/70/57/08/469705708.db2.gz UGJZOMCATOLISW-HOCLYGCPSA-N 1 3 349.523 2.164 10 0 EEAEHO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1[C@@H](C)C1CC1 ZINC000617506623 469705713 /nfs/dbraw/zinc/70/57/13/469705713.db2.gz UGJZOMCATOLISW-HOCLYGCPSA-N 1 3 349.523 2.164 10 0 EEAEHO C[C@H](CNC(=O)NC[C@@H]1CCN1C1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000623601411 469707319 /nfs/dbraw/zinc/70/73/19/469707319.db2.gz CJDWFCQPGILEBU-NUJGCVRESA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@H](CNC(=O)NC[C@@H]1CCN1C1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000623601411 469707325 /nfs/dbraw/zinc/70/73/25/469707325.db2.gz CJDWFCQPGILEBU-NUJGCVRESA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)C[NH2+]1 ZINC000626916702 469753762 /nfs/dbraw/zinc/75/37/62/469753762.db2.gz OMWRJKYJRTURTG-KBAYOESNSA-N 1 3 330.476 2.263 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000627017228 469791124 /nfs/dbraw/zinc/79/11/24/469791124.db2.gz SWPOROOXPREKOC-IPMKNSEASA-N 1 3 344.503 2.337 10 0 EEAEHO CCN(C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000627206278 469844585 /nfs/dbraw/zinc/84/45/85/469844585.db2.gz YCMHKSGKVVGMCY-BHIYHBOVSA-N 1 3 344.503 2.433 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCN[C@H](C(C)C)C2)CC1 ZINC000621155060 470002284 /nfs/dbraw/zinc/00/22/84/470002284.db2.gz YEQYRAGKHAYPSL-KRWDZBQOSA-N 1 3 330.476 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C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2cccc(F)c21 ZINC000665761045 472176138 /nfs/dbraw/zinc/17/61/38/472176138.db2.gz VQFRHNLJARCFAQ-AWEZNQCLSA-N 1 3 336.455 2.170 10 0 EEAEHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1(NC2CC2)CCC1 ZINC000662700249 472214412 /nfs/dbraw/zinc/21/44/12/472214412.db2.gz GURSLZUSYYVHDZ-SFHVURJKSA-N 1 3 341.499 2.342 10 0 EEAEHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1(NC2CC2)CCC1 ZINC000662700249 472214420 /nfs/dbraw/zinc/21/44/20/472214420.db2.gz GURSLZUSYYVHDZ-SFHVURJKSA-N 1 3 341.499 2.342 10 0 EEAEHO CC(C)[C@@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662717156 472220571 /nfs/dbraw/zinc/22/05/71/472220571.db2.gz XNKSDWBQCQKLRT-ZWKOTPCHSA-N 1 3 329.488 2.388 10 0 EEAEHO CC(C)[C@@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662717156 472220579 /nfs/dbraw/zinc/22/05/79/472220579.db2.gz XNKSDWBQCQKLRT-ZWKOTPCHSA-N 1 3 329.488 2.388 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662793631 472253160 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CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2ccccc2N(C)C)CC[N@H+]1C ZINC001481232024 1180366083 /nfs/dbraw/zinc/36/60/83/1180366083.db2.gz VJICFDSFDBMOCM-ZWKOTPCHSA-N 1 3 346.519 2.031 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOC1CCC1 ZINC001267971085 1180877245 /nfs/dbraw/zinc/87/72/45/1180877245.db2.gz YWLIGLNDRSUWCX-AEFFLSMTSA-N 1 3 337.508 2.011 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)CCCCCF)C2)C1 ZINC001481498607 1181572311 /nfs/dbraw/zinc/57/23/11/1181572311.db2.gz QOQBCJNPBLOBEK-IRXDYDNUSA-N 1 3 327.488 2.248 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)CCCCCF)C2)C1 ZINC001481498607 1181572314 /nfs/dbraw/zinc/57/23/14/1181572314.db2.gz QOQBCJNPBLOBEK-IRXDYDNUSA-N 1 3 327.488 2.248 10 0 EEAEHO Cc1ncc(CNCC[C@H]2CCCCN2C(=O)C[N@H+]2CC[C@H](C)C2)o1 ZINC001268162493 1181878886 /nfs/dbraw/zinc/87/88/86/1181878886.db2.gz JAMJOOXABONWNY-DOTOQJQBSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncc(CNCC[C@H]2CCCCN2C(=O)C[N@@H+]2CC[C@H](C)C2)o1 ZINC001268162493 1181878891 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CC[C@@H]1[C@@H](C(=O)NC2(CNCc3ccccn3)CCCC2)CC[N@@H+]1C ZINC001481897200 1182907660 /nfs/dbraw/zinc/90/76/60/1182907660.db2.gz RRTQGWDFBUTKPH-ZWKOTPCHSA-N 1 3 344.503 2.331 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC2(CNCc3ccccn3)CCCC2)CC[N@H+]1C ZINC001481897200 1182907663 /nfs/dbraw/zinc/90/76/63/1182907663.db2.gz RRTQGWDFBUTKPH-ZWKOTPCHSA-N 1 3 344.503 2.331 10 0 EEAEHO CN(C)C1(C(=O)NCC2([NH2+]CCCc3ccsc3)CC2)CCC1 ZINC001269422701 1184254976 /nfs/dbraw/zinc/25/49/76/1184254976.db2.gz KXDHLQXLXZUAMV-UHFFFAOYSA-N 1 3 335.517 2.403 10 0 EEAEHO CC[C@@H](C(=O)N1CCC2(CC[N@H+](CCCCOC)C2)CC1)N(C)C ZINC001270336579 1185027939 /nfs/dbraw/zinc/02/79/39/1185027939.db2.gz PPQXXPUPAGRCPP-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO CC[C@@H](C(=O)N1CCC2(CC[N@@H+](CCCCOC)C2)CC1)N(C)C ZINC001270336579 1185027944 /nfs/dbraw/zinc/02/79/44/1185027944.db2.gz PPQXXPUPAGRCPP-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO C[C@H](CNCc1ccnc(Cl)c1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482353842 1185490636 /nfs/dbraw/zinc/49/06/36/1185490636.db2.gz LTIHFVSQFFFMAG-HIFRSBDPSA-N 1 3 338.883 2.013 10 0 EEAEHO C[C@H](CNCc1ccnc(Cl)c1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482353842 1185490641 /nfs/dbraw/zinc/49/06/41/1185490641.db2.gz LTIHFVSQFFFMAG-HIFRSBDPSA-N 1 3 338.883 2.013 10 0 EEAEHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]CCCc1cccc(F)c1 ZINC001671384775 1187658124 /nfs/dbraw/zinc/65/81/24/1187658124.db2.gz PPQVTXHFOYRTAQ-IBGZPJMESA-N 1 3 347.478 2.435 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C)nc1C ZINC001482692775 1187659266 /nfs/dbraw/zinc/65/92/66/1187659266.db2.gz JYQJZOGFYSBNMS-RTBURBONSA-N 1 3 346.519 2.415 10 0 EEAEHO CCN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)[C@H]1CCCN1C ZINC001482914596 1187839912 /nfs/dbraw/zinc/83/99/12/1187839912.db2.gz RCSJPPCUCNEOPM-GOSISDBHSA-N 1 3 328.460 2.200 10 0 EEAEHO Cc1cncc(CNC/C=C/CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)c1 ZINC001483025781 1188026138 /nfs/dbraw/zinc/02/61/38/1188026138.db2.gz YNVQSNFEZBSHCH-FKDQEEMOSA-N 1 3 342.487 2.169 10 0 EEAEHO Cc1cncc(CNC/C=C/CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)c1 ZINC001483025781 1188026143 /nfs/dbraw/zinc/02/61/43/1188026143.db2.gz YNVQSNFEZBSHCH-FKDQEEMOSA-N 1 3 342.487 2.169 10 0 EEAEHO C[C@H](CNCc1cc(F)cc(F)c1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483160565 1188981796 /nfs/dbraw/zinc/98/17/96/1188981796.db2.gz BATLLSMBEUPEGA-IPYPFGDCSA-N 1 3 339.430 2.289 10 0 EEAEHO C[C@H](CNCc1cc(F)cc(F)c1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483160565 1188981798 /nfs/dbraw/zinc/98/17/98/1188981798.db2.gz BATLLSMBEUPEGA-IPYPFGDCSA-N 1 3 339.430 2.289 10 0 EEAEHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001483185213 1189052009 /nfs/dbraw/zinc/05/20/09/1189052009.db2.gz BENNXVUERNGQCT-SJKOYZFVSA-N 1 3 339.430 2.388 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1ccc(Cl)nc1 ZINC001483233198 1189651292 /nfs/dbraw/zinc/65/12/92/1189651292.db2.gz OQFHPOLPSPDZBS-DZGCQCFKSA-N 1 3 338.883 2.204 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1ccc(Cl)nc1 ZINC001483233198 1189651298 /nfs/dbraw/zinc/65/12/98/1189651298.db2.gz OQFHPOLPSPDZBS-DZGCQCFKSA-N 1 3 338.883 2.204 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccnc(Cl)c2)[C@H]1C ZINC001486092984 1193679032 /nfs/dbraw/zinc/67/90/32/1193679032.db2.gz JILUINVOKQNOFX-HIFRSBDPSA-N 1 3 338.883 2.156 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccnc(Cl)c2)[C@H]1C ZINC001486092984 1193679034 /nfs/dbraw/zinc/67/90/34/1193679034.db2.gz JILUINVOKQNOFX-HIFRSBDPSA-N 1 3 338.883 2.156 10 0 EEAEHO CCc1nocc1CNC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001483562246 1190551678 /nfs/dbraw/zinc/55/16/78/1190551678.db2.gz ZPNJQYAPKAYHKG-ROUUACIJSA-N 1 3 348.491 2.094 10 0 EEAEHO CCc1nocc1CNC[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001483562246 1190551684 /nfs/dbraw/zinc/55/16/84/1190551684.db2.gz ZPNJQYAPKAYHKG-ROUUACIJSA-N 1 3 348.491 2.094 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001272615482 1190930708 /nfs/dbraw/zinc/93/07/08/1190930708.db2.gz CFKYAHAUKZHJTH-MAUKXSAKSA-N 1 3 335.467 2.494 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cnc(C)s2)C1)N(C)C ZINC001272615220 1190930800 /nfs/dbraw/zinc/93/08/00/1190930800.db2.gz AIAXPHQWTAQDDX-GDBMZVCRSA-N 1 3 338.521 2.120 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC[C@@H](C)F)C2 ZINC001483832981 1191069924 /nfs/dbraw/zinc/06/99/24/1191069924.db2.gz RQBBFGDKHJGLMX-AEFFLSMTSA-N 1 3 327.488 2.389 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC[C@@H](C)F)C2 ZINC001483832981 1191069927 /nfs/dbraw/zinc/06/99/27/1191069927.db2.gz RQBBFGDKHJGLMX-AEFFLSMTSA-N 1 3 327.488 2.389 10 0 EEAEHO CC(C)OCCC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001483916532 1191115537 /nfs/dbraw/zinc/11/55/37/1191115537.db2.gz ADVMJMSQFFKPGX-IRXDYDNUSA-N 1 3 327.513 2.111 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCOC1CCC1 ZINC001483959591 1191128502 /nfs/dbraw/zinc/12/85/02/1191128502.db2.gz YWLIGLNDRSUWCX-WMZOPIPTSA-N 1 3 337.508 2.011 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CCc1ccc(C)cc1 ZINC001483951872 1191129668 /nfs/dbraw/zinc/12/96/68/1191129668.db2.gz MSDGOUXVASJZHJ-IBGZPJMESA-N 1 3 331.504 2.460 10 0 EEAEHO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001484252389 1191289837 /nfs/dbraw/zinc/28/98/37/1191289837.db2.gz NDWJZDGEYBVJJW-AZUAARDMSA-N 1 3 347.503 2.031 10 0 EEAEHO CC[C@@H](c1ccccc1)[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001484252389 1191289838 /nfs/dbraw/zinc/28/98/38/1191289838.db2.gz NDWJZDGEYBVJJW-AZUAARDMSA-N 1 3 347.503 2.031 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCOC(C)C)C1 ZINC001484551698 1191410656 /nfs/dbraw/zinc/41/06/56/1191410656.db2.gz OFPMLQMAOWQGCS-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCOC(C)C)CC1)N(C)C ZINC001484724678 1191485150 /nfs/dbraw/zinc/48/51/50/1191485150.db2.gz SWJHEIUGOQOCLO-IRXDYDNUSA-N 1 3 327.513 2.112 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCCOC(C)C)CC1)N(C)C ZINC001484724678 1191485153 /nfs/dbraw/zinc/48/51/53/1191485153.db2.gz SWJHEIUGOQOCLO-IRXDYDNUSA-N 1 3 327.513 2.112 10 0 EEAEHO Cc1cccnc1CN1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001484936055 1191579840 /nfs/dbraw/zinc/57/98/40/1191579840.db2.gz AKVDASFXFXXUMP-QGZVFWFLSA-N 1 3 332.492 2.058 10 0 EEAEHO Cc1ncc(CN[C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)cn1 ZINC001485147777 1191665360 /nfs/dbraw/zinc/66/53/60/1191665360.db2.gz QOTVCYKEGPGSLO-LSDHHAIUSA-N 1 3 347.507 2.032 10 0 EEAEHO C[C@@H](NCc1ccns1)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001485163693 1191675245 /nfs/dbraw/zinc/67/52/45/1191675245.db2.gz PYFNSWWLMACCQR-ZIAGYGMSSA-N 1 3 336.505 2.002 10 0 EEAEHO Cc1nsc(C)c1C[NH2+]CC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001273018597 1194325552 /nfs/dbraw/zinc/32/55/52/1194325552.db2.gz MUNKYSWEURYSRF-STQMWFEESA-N 1 3 338.521 2.086 10 0 EEAEHO Cc1nc(C)c(C[NH2+][C@H](CCNC(=O)[C@H]2CCCN2C)C(C)C)o1 ZINC001410268687 1197649976 /nfs/dbraw/zinc/64/99/76/1197649976.db2.gz LCTJNINSGWVFCS-HZPDHXFCSA-N 1 3 336.480 2.006 10 0 EEAEHO [NH3+][C@H](C[C@@H]1CCCN(C[C@H]2CCS(=O)(=O)C2)C1)C1CCCC1 ZINC000872155990 1198062054 /nfs/dbraw/zinc/06/20/54/1198062054.db2.gz BZRNINBQIDZIQK-ZMSDIMECSA-N 1 3 328.522 2.041 10 0 EEAEHO CC(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)CCO1 ZINC001273323453 1198165054 /nfs/dbraw/zinc/16/50/54/1198165054.db2.gz NNMPQQGHPSCSOD-ZWKOTPCHSA-N 1 3 339.524 2.112 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000124348809 1198468123 /nfs/dbraw/zinc/46/81/23/1198468123.db2.gz LAOVBSMVNHKTJV-VQTJNVASSA-N 1 3 341.499 2.465 10 0 EEAEHO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)CC1 ZINC000810651429 1199645334 /nfs/dbraw/zinc/64/53/34/1199645334.db2.gz MBLMNSWWGJYTEL-VQIMIIECSA-N 1 3 339.499 2.389 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC[C@@H]1CCCCO1 ZINC001274610216 1205096217 /nfs/dbraw/zinc/09/62/17/1205096217.db2.gz MXGJWAYZGUDMGM-FDICQLOXSA-N 1 3 337.508 2.082 10 0 EEAEHO CN(CC(=O)NC1CC(C[NH2+]CC[C@H]2CCCO2)C1)CC(C)(C)C ZINC001275284939 1205298631 /nfs/dbraw/zinc/29/86/31/1205298631.db2.gz VYBNNHUNOASWLN-OFLPRAFFSA-N 1 3 339.524 2.018 10 0 EEAEHO CN(C)c1ccccc1C[NH2+]CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001276047585 1205750536 /nfs/dbraw/zinc/75/05/36/1205750536.db2.gz CHTXJWUVYHHFAF-UHFFFAOYSA-N 1 3 346.519 2.175 10 0 EEAEHO CC[C@@H](C(=O)NC1(C[NH2+]CC[C@@H]2CCOC2)CCCCC1)N(C)C ZINC001276226011 1205843587 /nfs/dbraw/zinc/84/35/87/1205843587.db2.gz HWKSTHNWLXLCEX-SJORKVTESA-N 1 3 339.524 2.162 10 0 EEAEHO O[C@@H](CN[C@H](Cc1ccccc1)Cc1cccnc1)C[NH+]1CCCC1 ZINC000924757991 1206027990 /nfs/dbraw/zinc/02/79/90/1206027990.db2.gz RWOMTLVEFIZMMH-RTWAWAEBSA-N 1 3 339.483 2.282 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[N@H+](C)[C@@H]3C)cc2)CC1 ZINC000925312302 1206094289 /nfs/dbraw/zinc/09/42/89/1206094289.db2.gz HRFAGLPMOYGSBG-QAPCUYQASA-N 1 3 345.491 2.043 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[N@@H+](C)[C@@H]3C)cc2)CC1 ZINC000925312302 1206094292 /nfs/dbraw/zinc/09/42/92/1206094292.db2.gz HRFAGLPMOYGSBG-QAPCUYQASA-N 1 3 345.491 2.043 10 0 EEAEHO CCOC(=O)CCCCCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931285613 1206622053 /nfs/dbraw/zinc/62/20/53/1206622053.db2.gz NHDZLYZKORQRTN-UHFFFAOYSA-N 1 3 326.481 2.297 10 0 EEAEHO CCOC(=O)CCCCCN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931285613 1206622055 /nfs/dbraw/zinc/62/20/55/1206622055.db2.gz NHDZLYZKORQRTN-UHFFFAOYSA-N 1 3 326.481 2.297 10 0 EEAEHO CC(C)N1CC[NH+](CCCN2CCC=C(Br)C2)CC1 ZINC000800383795 1234092086 /nfs/dbraw/zinc/09/20/86/1234092086.db2.gz DAMYMTJJHZGPGJ-UHFFFAOYSA-N 1 3 330.314 2.387 10 0 EEAEHO COCCN1CC[C@H]([NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000383079912 1241368889 /nfs/dbraw/zinc/36/88/89/1241368889.db2.gz SVVQHIZQNVLLKZ-PMACEKPBSA-N 1 3 331.504 2.209 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CN[C@H](c2ccccc2)C(C)(C)CO)cnn1C ZINC000903927499 1242529568 /nfs/dbraw/zinc/52/95/68/1242529568.db2.gz SGBOGBQIRDTCHA-QFBILLFUSA-N 1 3 344.503 2.195 10 0 EEAEHO COCCCOc1cccc(C[NH2+]C[C@H]2CNCCC2(F)F)c1 ZINC000903955231 1242700699 /nfs/dbraw/zinc/70/06/99/1242700699.db2.gz NJVWGFDMBRSHKT-OAHLLOKOSA-N 1 3 328.403 2.436 10 0 EEAEHO C[C@H](N[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)c1cc(F)ccc1F ZINC001491050877 1258614449 /nfs/dbraw/zinc/61/44/49/1258614449.db2.gz OSHRQROVWVEIHA-FPMFFAJLSA-N 1 3 325.403 2.214 10 0 EEAEHO CC(C)[C@H](C(=O)NC[C@@H]1CCCCN1CCCF)[NH+]1CCCC1 ZINC001491236757 1258827116 /nfs/dbraw/zinc/82/71/16/1258827116.db2.gz OPQMJFMNSIBBHE-DLBZAZTESA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H]([NH2+]CCCF)C2CC2)C1 ZINC001490710823 1291596916 /nfs/dbraw/zinc/59/69/16/1291596916.db2.gz VCCIHAUGHHKQPG-YOEHRIQHSA-N 1 3 331.451 2.043 10 0 EEAEHO C[N@@H+]1CC[C@H](NCCOCCCNC(=O)OC(C)(C)C)CC1(C)C ZINC000858286466 1294072358 /nfs/dbraw/zinc/07/23/58/1294072358.db2.gz COEGETDCFXXIEV-HNNXBMFYSA-N 1 3 343.512 2.380 10 0 EEAEHO C[N@H+]1CC[C@H](NCCOCCCNC(=O)OC(C)(C)C)CC1(C)C ZINC000858286466 1294072361 /nfs/dbraw/zinc/07/23/61/1294072361.db2.gz COEGETDCFXXIEV-HNNXBMFYSA-N 1 3 343.512 2.380 10 0 EEAEHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)C1)CC(C)(C)C ZINC001490928250 1299585217 /nfs/dbraw/zinc/58/52/17/1299585217.db2.gz KSHPXWCFBHOKAV-BZUAXINKSA-N 1 3 339.524 2.016 10 0 EEAEHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccnc(Cl)c2)C1)N(C)C ZINC001277074441 1301162060 /nfs/dbraw/zinc/16/20/60/1301162060.db2.gz HKCDVIADBPHKRM-RBSFLKMASA-N 1 3 338.883 2.060 10 0 EEAEHO C[C@@H](CCC[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)C1(N(C)C)CCC1 ZINC001277210768 1301837016 /nfs/dbraw/zinc/83/70/16/1301837016.db2.gz QFHGHFANXFSUDL-JKSUJKDBSA-N 1 3 339.524 2.160 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCOc2ccc(C)cc2)[C@H]1C ZINC001278314436 1309336640 /nfs/dbraw/zinc/33/66/40/1309336640.db2.gz DVBCZEPIBSDYLU-MJGOQNOKSA-N 1 3 347.503 2.295 10 0 EEAEHO Cc1c(F)ccc(N)c1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001142767420 1315729227 /nfs/dbraw/zinc/72/92/27/1315729227.db2.gz GPTUHVLLNZXVCI-UHFFFAOYSA-N 1 3 348.466 2.005 10 0 EEAEHO COCCCC[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC1(C)C ZINC001278667006 1317604249 /nfs/dbraw/zinc/60/42/49/1317604249.db2.gz KRAVGFGMHJDSTO-INIZCTEOSA-N 1 3 341.540 2.218 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCCC(C)(C)C ZINC001278755096 1317980726 /nfs/dbraw/zinc/98/07/26/1317980726.db2.gz DNMSDOYHFQQGKU-IRXDYDNUSA-N 1 3 341.540 2.094 10 0 EEAEHO CC[C@H](C(=O)N(C)C1CC[NH+](CCOCC2CCC2)CC1)N(C)C ZINC001265193493 1322978664 /nfs/dbraw/zinc/97/86/64/1322978664.db2.gz KGCOCUKPXMLFMC-GOSISDBHSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1ncccc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001280263125 1324133598 /nfs/dbraw/zinc/13/35/98/1324133598.db2.gz DHRWFGRYGZPHAL-IEBWSBKVSA-N 1 3 346.519 2.304 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CC=C(Cl)Cl)C2)CCC1 ZINC001283051529 1325901414 /nfs/dbraw/zinc/90/14/14/1325901414.db2.gz OTVMMHIPGKVIAE-HAQNSBGRSA-N 1 3 334.291 2.274 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cnn(C)c1 ZINC001283249353 1325971147 /nfs/dbraw/zinc/97/11/47/1325971147.db2.gz SEGMILFXZHHCPH-WMZOPIPTSA-N 1 3 349.523 2.058 10 0 EEAEHO Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C)c1 ZINC001283913358 1326317643 /nfs/dbraw/zinc/31/76/43/1326317643.db2.gz KZYJVQQWOYIMKU-APWZRJJASA-N 1 3 340.471 2.472 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CCCF)C1 ZINC001284735979 1326689075 /nfs/dbraw/zinc/68/90/75/1326689075.db2.gz DXYCDZFUXWLCON-OLZOCXBDSA-N 1 3 341.393 2.055 10 0 EEAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)NCc1cc(C2CC2)no1 ZINC001492024083 1330449923 /nfs/dbraw/zinc/44/99/23/1330449923.db2.gz KAAVYNBTKPGEJD-KDOFPFPSSA-N 1 3 348.491 2.409 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)NCc1cc(C2CC2)no1 ZINC001492024083 1330449929 /nfs/dbraw/zinc/44/99/29/1330449929.db2.gz KAAVYNBTKPGEJD-KDOFPFPSSA-N 1 3 348.491 2.409 10 0 EEAEHO C[C@H](F)CC[N@H+](C)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001316851143 1331446093 /nfs/dbraw/zinc/44/60/93/1331446093.db2.gz QDGPPVLJUACVFZ-WMLDXEAASA-N 1 3 333.467 2.385 10 0 EEAEHO C[C@H](F)CC[N@@H+](C)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001316851143 1331446096 /nfs/dbraw/zinc/44/60/96/1331446096.db2.gz QDGPPVLJUACVFZ-WMLDXEAASA-N 1 3 333.467 2.385 10 0 EEAEHO CC(C)OCCC[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001316936407 1332001261 /nfs/dbraw/zinc/00/12/61/1332001261.db2.gz XABKNWHMAGPAOC-GOSISDBHSA-N 1 3 341.540 2.311 10 0 EEAEHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CC[C@@H]2CCCO2)CCC1 ZINC001317191043 1332123466 /nfs/dbraw/zinc/12/34/66/1332123466.db2.gz WJYGJZWOSQLVPG-SJORKVTESA-N 1 3 337.508 2.011 10 0 EEAEHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001317343274 1332187317 /nfs/dbraw/zinc/18/73/17/1332187317.db2.gz KLIFPJNQUODNMC-HOTGVXAUSA-N 1 3 343.462 2.346 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]C[C@H]1CCCC(F)(F)C1)N(C)C ZINC001317599131 1332318893 /nfs/dbraw/zinc/31/88/93/1332318893.db2.gz WTPMQUYUURLBGJ-GJZGRUSLSA-N 1 3 333.467 2.446 10 0 EEAEHO Cc1ncsc1CNCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001317653397 1332350879 /nfs/dbraw/zinc/35/08/79/1332350879.db2.gz FXAIQZDXUDVTHM-LSDHHAIUSA-N 1 3 338.521 2.120 10 0 EEAEHO COCCCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001317868164 1332436230 /nfs/dbraw/zinc/43/62/30/1332436230.db2.gz AMJWGDGODSXVCF-SFHVURJKSA-N 1 3 339.524 2.068 10 0 EEAEHO COCCCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001317868164 1332436232 /nfs/dbraw/zinc/43/62/32/1332436232.db2.gz AMJWGDGODSXVCF-SFHVURJKSA-N 1 3 339.524 2.068 10 0 EEAEHO CC(C)[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2ccccn2)C1)N(C)C ZINC001318831781 1332606852 /nfs/dbraw/zinc/60/68/52/1332606852.db2.gz XMUQWWLGFMQHLC-IEBWSBKVSA-N 1 3 346.519 2.386 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC001319124085 1332652657 /nfs/dbraw/zinc/65/26/57/1332652657.db2.gz ARMGOSUMQPFZDS-OAHLLOKOSA-N 1 3 338.883 2.157 10 0 EEAEHO Cc1ncc(CN2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@@H]32)o1 ZINC001320111744 1332829239 /nfs/dbraw/zinc/82/92/39/1332829239.db2.gz QKZBEIUYNCHWGX-AEFFLSMTSA-N 1 3 348.491 2.138 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(Cl)n1)N(C)C ZINC001320452760 1332887312 /nfs/dbraw/zinc/88/73/12/1332887312.db2.gz BTRULSLAYSBSLS-BBRMVZONSA-N 1 3 340.899 2.306 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC(F)(F)C1 ZINC001320643962 1332927604 /nfs/dbraw/zinc/92/76/04/1332927604.db2.gz ICKJQHMHXYOADD-ZFWWWQNUSA-N 1 3 331.451 2.391 10 0 EEAEHO CCN(CC[NH2+]C[C@@H]1CCCOC1)C(=O)[C@@H]1CCCCN1C(C)C ZINC001320861982 1332967104 /nfs/dbraw/zinc/96/71/04/1332967104.db2.gz DVAHVTDVAAJSPO-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C\CNCc1cccc(F)c1 ZINC001321418047 1333099051 /nfs/dbraw/zinc/09/90/51/1333099051.db2.gz XPKDESBZFZXJNA-JGPFYOFESA-N 1 3 333.451 2.461 10 0 EEAEHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]CC[C@H]1CCCO1)CC(C)(C)C ZINC001324226069 1333638961 /nfs/dbraw/zinc/63/89/61/1333638961.db2.gz OHJOSURJIYGDDF-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)CN3CCCC3)C2)c(C)n1 ZINC001326432792 1334092847 /nfs/dbraw/zinc/09/28/47/1334092847.db2.gz UGTPHQBIUSKNMH-SFHVURJKSA-N 1 3 344.503 2.122 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CCC(F)(F)F)C1 ZINC001326736028 1334152093 /nfs/dbraw/zinc/15/20/93/1334152093.db2.gz DSIXWHJESJYAMS-ZIAGYGMSSA-N 1 3 335.414 2.251 10 0 EEAEHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001327033562 1334207662 /nfs/dbraw/zinc/20/76/62/1334207662.db2.gz CPHDHZUWPMSMDY-ZPUOCTKUSA-N 1 3 339.524 2.138 10 0 EEAEHO CCOCCN(C)C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001328780289 1334519484 /nfs/dbraw/zinc/51/94/84/1334519484.db2.gz MDONCUADMNFZQL-GOSISDBHSA-N 1 3 339.524 2.066 10 0 EEAEHO C[C@@H]1C[C@H](C[N@H+]2CC=C(CNC(=O)C3(N(C)C)CCC3)CC2)CCO1 ZINC001333352262 1336017271 /nfs/dbraw/zinc/01/72/71/1336017271.db2.gz YYDKGLVWSWXNTJ-SJLPKXTDSA-N 1 3 349.519 2.034 10 0 EEAEHO C[C@@H]1C[C@H](C[N@@H+]2CC=C(CNC(=O)C3(N(C)C)CCC3)CC2)CCO1 ZINC001333352262 1336017275 /nfs/dbraw/zinc/01/72/75/1336017275.db2.gz YYDKGLVWSWXNTJ-SJLPKXTDSA-N 1 3 349.519 2.034 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CCCOC(C)C)CC1 ZINC001566990989 1342674322 /nfs/dbraw/zinc/67/43/22/1342674322.db2.gz CZMHPWBKFHNGIP-UHFFFAOYSA-N 1 3 336.480 2.093 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CCCCC1CCOCC1 ZINC001569557340 1342896447 /nfs/dbraw/zinc/89/64/47/1342896447.db2.gz VULGDUNCUZRIQC-GOSISDBHSA-N 1 3 348.491 2.130 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CCC2CC2)C1 ZINC001677052292 1357271539 /nfs/dbraw/zinc/27/15/39/1357271539.db2.gz OKMVIUHEQKUSBP-GJZGRUSLSA-N 1 3 349.441 2.353 10 0 EEAEHO CC(C)OCCC[NH2+]CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001649441864 1353507362 /nfs/dbraw/zinc/50/73/62/1353507362.db2.gz YYABXBMWMHLNDJ-GOSISDBHSA-N 1 3 345.503 2.062 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](CC)C[C@@H]1CCCCO1 ZINC001660632673 1354505548 /nfs/dbraw/zinc/50/55/48/1354505548.db2.gz UODUPJHURONMNO-ROUUACIJSA-N 1 3 339.524 2.258 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](CC)C[C@@H]1CCCCO1 ZINC001660632673 1354505553 /nfs/dbraw/zinc/50/55/53/1354505553.db2.gz UODUPJHURONMNO-ROUUACIJSA-N 1 3 339.524 2.258 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@H]2C[C@@H](NC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001661610418 1354664850 /nfs/dbraw/zinc/66/48/50/1354664850.db2.gz QVNVWUOLCOWXGJ-CALCHBBNSA-N 1 3 345.487 2.095 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCOC(C)C)C1 ZINC001662728652 1354833136 /nfs/dbraw/zinc/83/31/36/1354833136.db2.gz RKCAOLMDXFXICO-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H](O)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001663124064 1354923886 /nfs/dbraw/zinc/92/38/86/1354923886.db2.gz QBDOFDJHBQOGTC-QFBILLFUSA-N 1 3 347.503 2.103 10 0 EEAEHO C[C@H](O)C[N@H+]1CCC[C@H]1CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001663124064 1354923887 /nfs/dbraw/zinc/92/38/87/1354923887.db2.gz QBDOFDJHBQOGTC-QFBILLFUSA-N 1 3 347.503 2.103 10 0 EEAEHO CN(CC[NH2+]Cc1ccc(Cl)c(F)c1)C(=O)[C@@H]1CCCN1C ZINC001663851495 1355042935 /nfs/dbraw/zinc/04/29/35/1355042935.db2.gz SLKDERNDFIMFDN-HNNXBMFYSA-N 1 3 327.831 2.121 10 0 EEAEHO Cc1cncc(CNCCN(C)C(=O)CCC[NH+]2CCCCC2)c1 ZINC001664377550 1355149767 /nfs/dbraw/zinc/14/97/67/1355149767.db2.gz GPLJIOBYNUNMRL-UHFFFAOYSA-N 1 3 332.492 2.204 10 0 EEAEHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCNCc1ccnc(Cl)c1 ZINC001664395806 1355154486 /nfs/dbraw/zinc/15/44/86/1355154486.db2.gz WOMJWVYDBCDQIY-OAHLLOKOSA-N 1 3 338.883 2.157 10 0 EEAEHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCNCc1ccnc(Cl)c1 ZINC001664395806 1355154492 /nfs/dbraw/zinc/15/44/92/1355154492.db2.gz WOMJWVYDBCDQIY-OAHLLOKOSA-N 1 3 338.883 2.157 10 0 EEAEHO CCOCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001666172656 1355475555 /nfs/dbraw/zinc/47/55/55/1355475555.db2.gz KSQRGCXLBDAXHF-ZWKOTPCHSA-N 1 3 339.524 2.116 10 0 EEAEHO CCOCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001666172655 1355475610 /nfs/dbraw/zinc/47/56/10/1355475610.db2.gz KSQRGCXLBDAXHF-ROUUACIJSA-N 1 3 339.524 2.116 10 0 EEAEHO CCCN(C)CC(=O)N1CCC(CC[NH2+]CCC(F)(F)F)CC1 ZINC001666260008 1355499093 /nfs/dbraw/zinc/49/90/93/1355499093.db2.gz ZZURAWHQLMXNQG-UHFFFAOYSA-N 1 3 337.430 2.499 10 0 EEAEHO C[C@@H](CC[NH2+]C[C@H]1CCCOC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001668060669 1355859415 /nfs/dbraw/zinc/85/94/15/1355859415.db2.gz QLTNHWOLWFVHQS-DLBZAZTESA-N 1 3 339.524 2.162 10 0 EEAEHO CC[C@H](F)CNC/C=C\CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001669040175 1356075218 /nfs/dbraw/zinc/07/52/18/1356075218.db2.gz USHCKNHXYNYOKN-GRQQHNRBSA-N 1 3 331.451 2.209 10 0 EEAEHO CC[C@H](F)CNC/C=C\CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001669040175 1356075223 /nfs/dbraw/zinc/07/52/23/1356075223.db2.gz USHCKNHXYNYOKN-GRQQHNRBSA-N 1 3 331.451 2.209 10 0 EEAEHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(C(=O)N(C)C)cc1 ZINC000925775535 775052552 /nfs/dbraw/zinc/05/25/52/775052552.db2.gz GXMUYKJOHJXYJE-WFASDCNBSA-N 1 3 325.403 2.284 10 0 EEAEHO C[C@H](NCCN1CCC([NH3+])CC1)c1cc(Br)ncc1F ZINC000925810719 777463323 /nfs/dbraw/zinc/46/33/23/777463323.db2.gz FRCSUPRLYMPXSE-JTQLQIEISA-N 1 3 345.260 2.057 10 0 EEAEHO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(NC4=NCCC4)cc3)C2)C1 ZINC000908361391 785356349 /nfs/dbraw/zinc/35/63/49/785356349.db2.gz AULWJMSJIIACAP-IBGZPJMESA-N 1 3 326.444 2.459 10 0 EEAEHO 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CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@H]1CCc2c1c(F)ccc2F ZINC001497954373 1103407446 /nfs/dbraw/zinc/40/74/46/1103407446.db2.gz BBMOGCZMTJGSEI-WBMJQRKESA-N 1 3 339.430 2.388 10 0 EEAEHO Cc1cccnc1CN[C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001447907801 1103569671 /nfs/dbraw/zinc/56/96/71/1103569671.db2.gz KSCHMGHUSXJNOU-IRXDYDNUSA-N 1 3 346.519 2.493 10 0 EEAEHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)Cc1ccc(CF)cc1 ZINC001448128676 1104070173 /nfs/dbraw/zinc/07/01/73/1104070173.db2.gz CHXBQGKBABYXQD-CRAIPNDOSA-N 1 3 335.467 2.434 10 0 EEAEHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(CF)cc1 ZINC001448128676 1104070184 /nfs/dbraw/zinc/07/01/84/1104070184.db2.gz CHXBQGKBABYXQD-CRAIPNDOSA-N 1 3 335.467 2.434 10 0 EEAEHO CC(C)OCCN1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001448340867 1104427980 /nfs/dbraw/zinc/42/79/80/1104427980.db2.gz LIMPBIULDXNIQG-FUHWJXTLSA-N 1 3 339.524 2.111 10 0 EEAEHO CC(C)OCCN1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001448340867 1104427984 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Cc1nn(C(C)C)cc1CNCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001493585422 1108360048 /nfs/dbraw/zinc/36/00/48/1108360048.db2.gz UXHPQWRSURQNGK-GOSISDBHSA-N 1 3 349.523 2.195 10 0 EEAEHO Cc1nn(C(C)C)cc1CNCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001493585422 1108360065 /nfs/dbraw/zinc/36/00/65/1108360065.db2.gz UXHPQWRSURQNGK-GOSISDBHSA-N 1 3 349.523 2.195 10 0 EEAEHO C[C@H]([NH2+]CCCCCF)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001493819535 1108699702 /nfs/dbraw/zinc/69/97/02/1108699702.db2.gz NHCSOARYRKINJV-RDJZCZTQSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@@H](CC[NH+](C)C)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC001467744300 1110462702 /nfs/dbraw/zinc/46/27/02/1110462702.db2.gz APXSVJVMKIASNC-GRTSSRMGSA-N 1 3 349.441 2.496 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2F)C1 ZINC001501091315 1113195725 /nfs/dbraw/zinc/19/57/25/1113195725.db2.gz MSYVMAQUHKDFDH-NVXWUHKLSA-N 1 3 335.467 2.493 10 0 EEAEHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]C/C(Cl)=C\Cl ZINC001501118068 1113204900 /nfs/dbraw/zinc/20/49/00/1113204900.db2.gz FROBHNSWIVYRCI-DNLHMGNTSA-N 1 3 348.318 2.474 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001501150093 1113216109 /nfs/dbraw/zinc/21/61/09/1113216109.db2.gz LKHILQCBKZWPCG-DOTOQJQBSA-N 1 3 335.467 2.352 10 0 EEAEHO Cc1ccc(CN2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C)c(C)n1 ZINC001502967899 1113865388 /nfs/dbraw/zinc/86/53/88/1113865388.db2.gz KKDOERGIXJANHN-QAPCUYQASA-N 1 3 332.492 2.119 10 0 EEAEHO Cc1nsc(C)c1C[NH2+][C@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001505622192 1114091087 /nfs/dbraw/zinc/09/10/87/1114091087.db2.gz QTTYBAKSBLFWAY-NEPJUHHUSA-N 1 3 338.521 2.227 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCCCC(F)(F)F)CC1(C)C ZINC001506747291 1114860760 /nfs/dbraw/zinc/86/07/60/1114860760.db2.gz DYDVVFVNGRAGTM-CYBMUJFWSA-N 1 3 337.430 2.497 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NCc2ccc(CNC/C=C/Cl)cc2)CC[N@@H+]1C ZINC001568118408 1124312324 /nfs/dbraw/zinc/31/23/24/1124312324.db2.gz RUSWLCKDBYBTJP-PFSXNCNCSA-N 1 3 335.879 2.485 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NCc2ccc(CNC/C=C/Cl)cc2)CC[N@H+]1C ZINC001568118408 1124312329 /nfs/dbraw/zinc/31/23/29/1124312329.db2.gz RUSWLCKDBYBTJP-PFSXNCNCSA-N 1 3 335.879 2.485 10 0 EEAEHO O=C(N[C@@H](CNCCF)C1CCCCC1)C12CCC[NH+](CCC1)C2 ZINC001568343577 1124428339 /nfs/dbraw/zinc/42/83/39/1124428339.db2.gz LSZZIWSKINCQFH-KRWDZBQOSA-N 1 3 339.499 2.487 10 0 EEAEHO CCOCC[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001568396668 1124466611 /nfs/dbraw/zinc/46/66/11/1124466611.db2.gz JPOMKEXZQSBHGV-SFHVURJKSA-N 1 3 339.524 2.116 10 0 EEAEHO CCN(CC[NH2+]CCCc1cccc(F)c1)C(=O)[C@@H]1CCCN1C ZINC001568731011 1124746530 /nfs/dbraw/zinc/74/65/30/1124746530.db2.gz VTEFUZBREKOMDX-SFHVURJKSA-N 1 3 335.467 2.291 10 0 EEAEHO O=C(NC/C=C/CNCc1ccc(C(F)F)cc1)C12CC[NH+](CC1)C2 ZINC001568949881 1124984593 /nfs/dbraw/zinc/98/45/93/1124984593.db2.gz GOGJKPRHYGOHFL-OWOJBTEDSA-N 1 3 349.425 2.482 10 0 EEAEHO CNCc1cc(Br)cnc1OCC[C@H]1CCC[N@@H+]1C ZINC000051549456 214097390 /nfs/dbraw/zinc/09/73/90/214097390.db2.gz KTGYWQDTENTQKY-CYBMUJFWSA-N 1 3 328.254 2.427 10 0 EEAEHO CNCc1cc(Br)cnc1OCC[C@H]1CCC[N@H+]1C ZINC000051549456 214097393 /nfs/dbraw/zinc/09/73/93/214097393.db2.gz KTGYWQDTENTQKY-CYBMUJFWSA-N 1 3 328.254 2.427 10 0 EEAEHO C[NH+](C)[C@H]1CCCN(C(=O)CCN2CCc3ccccc3C2)CC1 ZINC000416228601 239134454 /nfs/dbraw/zinc/13/44/54/239134454.db2.gz YTEVOLWVXUGQCA-IBGZPJMESA-N 1 3 329.488 2.378 10 0 EEAEHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1ccccc1-n1ccnn1 ZINC000423187122 240399975 /nfs/dbraw/zinc/39/99/75/240399975.db2.gz LUYUYQOBDRLIOT-INIZCTEOSA-N 1 3 336.443 2.493 10 0 EEAEHO O=C(NCCNc1ccncc1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438345457 242010710 /nfs/dbraw/zinc/01/07/10/242010710.db2.gz MPJXLUPRZJZZHU-GOSISDBHSA-N 1 3 345.491 2.012 10 0 EEAEHO O=C(NCCNc1ccncc1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438345457 242010715 /nfs/dbraw/zinc/01/07/15/242010715.db2.gz MPJXLUPRZJZZHU-GOSISDBHSA-N 1 3 345.491 2.012 10 0 EEAEHO CCNC(=O)N1CC[C@H](N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000272854694 256244016 /nfs/dbraw/zinc/24/40/16/256244016.db2.gz TVAWWTTVEFONCP-UHOSZYNNSA-N 1 3 344.503 2.290 10 0 EEAEHO CCNC(=O)N1CC[C@H](N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000272854694 256244018 /nfs/dbraw/zinc/24/40/18/256244018.db2.gz TVAWWTTVEFONCP-UHOSZYNNSA-N 1 3 344.503 2.290 10 0 EEAEHO CC1CCN(CCNC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000080351101 292199919 /nfs/dbraw/zinc/19/99/19/292199919.db2.gz MEFCDSHRAWQSIH-UHFFFAOYSA-N 1 3 333.476 2.089 10 0 EEAEHO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000359455300 153372892 /nfs/dbraw/zinc/37/28/92/153372892.db2.gz DIMABEPFVQXJEY-MRXNPFEDSA-N 1 3 333.476 2.041 10 0 EEAEHO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000359455300 153372895 /nfs/dbraw/zinc/37/28/95/153372895.db2.gz DIMABEPFVQXJEY-MRXNPFEDSA-N 1 3 333.476 2.041 10 0 EEAEHO CN(C)C[C@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000128206752 292338037 /nfs/dbraw/zinc/33/80/37/292338037.db2.gz UQCMOAKYKCBUJK-IBGZPJMESA-N 1 3 333.520 2.407 10 0 EEAEHO CN(C)C[C@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000128206752 292338039 /nfs/dbraw/zinc/33/80/39/292338039.db2.gz UQCMOAKYKCBUJK-IBGZPJMESA-N 1 3 333.520 2.407 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CC(C)C)CN(C)C)[C@H](C)C1 ZINC000128434803 292342209 /nfs/dbraw/zinc/34/22/09/292342209.db2.gz MPAZLUBTTBIYTR-IKGGRYGDSA-N 1 3 326.529 2.334 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](CC(C)C)CN(C)C)[C@H](C)C1 ZINC000128434803 292342211 /nfs/dbraw/zinc/34/22/11/292342211.db2.gz MPAZLUBTTBIYTR-IKGGRYGDSA-N 1 3 326.529 2.334 10 0 EEAEHO C[C@@H]1CN(CCC2CC[NH+](CC[C@H]3CCOC3=O)CC2)C[C@@H](C)O1 ZINC000246391881 160277077 /nfs/dbraw/zinc/27/70/77/160277077.db2.gz JYAGHJZFONZOIT-NUJGCVRESA-N 1 3 338.492 2.151 10 0 EEAEHO CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000247095504 160309432 /nfs/dbraw/zinc/30/94/32/160309432.db2.gz JJLFYLCKADAQIY-MSOLQXFVSA-N 1 3 347.478 2.496 10 0 EEAEHO CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000247095504 160309434 /nfs/dbraw/zinc/30/94/34/160309434.db2.gz JJLFYLCKADAQIY-MSOLQXFVSA-N 1 3 347.478 2.496 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000247222297 160315513 /nfs/dbraw/zinc/31/55/13/160315513.db2.gz CCPSJTGUVDZXMX-KSZLIROESA-N 1 3 336.524 2.234 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000247222297 160315514 /nfs/dbraw/zinc/31/55/14/160315514.db2.gz CCPSJTGUVDZXMX-KSZLIROESA-N 1 3 336.524 2.234 10 0 EEAEHO CCCn1cc(CN2CCC[N@@H+](C3CCN(CC)CC3)CC2)cn1 ZINC000344224000 161208535 /nfs/dbraw/zinc/20/85/35/161208535.db2.gz UOOZDSCHHFHLIK-UHFFFAOYSA-N 1 3 333.524 2.285 10 0 EEAEHO CCCn1cc(CN2CCC[N@H+](C3CCN(CC)CC3)CC2)cn1 ZINC000344224000 161208536 /nfs/dbraw/zinc/20/85/36/161208536.db2.gz UOOZDSCHHFHLIK-UHFFFAOYSA-N 1 3 333.524 2.285 10 0 EEAEHO CCCn1cc(CN2CCCN(C3CC[NH+](CC)CC3)CC2)cn1 ZINC000344224000 161208537 /nfs/dbraw/zinc/20/85/37/161208537.db2.gz UOOZDSCHHFHLIK-UHFFFAOYSA-N 1 3 333.524 2.285 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000346370478 161366934 /nfs/dbraw/zinc/36/69/34/161366934.db2.gz KWDTYZMEEBJOLJ-FUHWJXTLSA-N 1 3 344.503 2.041 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000346370478 161366935 /nfs/dbraw/zinc/36/69/35/161366935.db2.gz KWDTYZMEEBJOLJ-FUHWJXTLSA-N 1 3 344.503 2.041 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000355003538 163047164 /nfs/dbraw/zinc/04/71/64/163047164.db2.gz SWTIIUOEJRKGJU-LJQANCHMSA-N 1 3 347.503 2.160 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+]2C[C@@H](O)[C@@H](CC)C2)CC1 ZINC000355197116 163108189 /nfs/dbraw/zinc/10/81/89/163108189.db2.gz LABRFKUIAXQLTD-FXAWDEMLSA-N 1 3 331.504 2.421 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+]2C[C@@H](O)[C@@H](CC)C2)CC1 ZINC000355197116 163108191 /nfs/dbraw/zinc/10/81/91/163108191.db2.gz LABRFKUIAXQLTD-FXAWDEMLSA-N 1 3 331.504 2.421 10 0 EEAEHO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCN2CCC1CC2 ZINC000376699667 167377648 /nfs/dbraw/zinc/37/76/48/167377648.db2.gz JLCIGJYKFJNHKD-UHFFFAOYSA-N 1 3 334.508 2.273 10 0 EEAEHO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](N3CC=CC3)C2)[C@@H]1c1ccccc1 ZINC000179471450 277165946 /nfs/dbraw/zinc/16/59/46/277165946.db2.gz XDLOQVMYUVJJNO-FHWLQOOXSA-N 1 3 340.471 2.088 10 0 EEAEHO C[N@H+]1CC[C@H](NC(=O)N2CC[C@H](N3CC=CC3)C2)[C@@H]1c1ccccc1 ZINC000179471450 277165947 /nfs/dbraw/zinc/16/59/47/277165947.db2.gz XDLOQVMYUVJJNO-FHWLQOOXSA-N 1 3 340.471 2.088 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)[C@@H]1c1ccccc1 ZINC000179471450 277165949 /nfs/dbraw/zinc/16/59/49/277165949.db2.gz XDLOQVMYUVJJNO-FHWLQOOXSA-N 1 3 340.471 2.088 10 0 EEAEHO CC1=CCN(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423030632 278502977 /nfs/dbraw/zinc/50/29/77/278502977.db2.gz CBFZEWUUUMTIRS-UYAOXDASSA-N 1 3 327.472 2.484 10 0 EEAEHO CN(C)C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)c2ccccc2O1 ZINC000361710318 289201240 /nfs/dbraw/zinc/20/12/40/289201240.db2.gz IAQQTPPAHSFAMV-MRXNPFEDSA-N 1 3 325.412 2.115 10 0 EEAEHO CN(Cc1cc(Cl)ccc1F)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414760085 313078628 /nfs/dbraw/zinc/07/86/28/313078628.db2.gz XQVDLCZVXQHOCN-GFCCVEGCSA-N 1 3 327.831 2.108 10 0 EEAEHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000417181572 313442726 /nfs/dbraw/zinc/44/27/26/313442726.db2.gz IDLSFHOJQGGTCL-CGTJXYLNSA-N 1 3 332.492 2.071 10 0 EEAEHO NC[C@H](NC(=O)COC1CCC([NH3+])CC1)c1ccc2ccccc2c1 ZINC000417834069 313613186 /nfs/dbraw/zinc/61/31/86/313613186.db2.gz SMAPOUNPBIOVKY-ACBHZAAOSA-N 1 3 341.455 2.242 10 0 EEAEHO CC[C@@H](CNC(=O)N(C)CCC[NH+](C)C)N1CCc2ccccc2C1 ZINC000541787256 318109329 /nfs/dbraw/zinc/10/93/29/318109329.db2.gz OAMJWENYRUTLQK-IBGZPJMESA-N 1 3 346.519 2.416 10 0 EEAEHO [NH3+]CCc1ccccc1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000565152251 319153239 /nfs/dbraw/zinc/15/32/39/319153239.db2.gz ZCQIIVQCUGXKID-UHFFFAOYSA-N 1 3 347.528 2.279 10 0 EEAEHO CN1CC[C@H](NC(=O)NCC2([NH3+])CCCCC2)[C@@H]1c1ccccc1 ZINC000578306562 320305960 /nfs/dbraw/zinc/30/59/60/320305960.db2.gz UTGIIRAQNPQYLH-IRXDYDNUSA-N 1 3 330.476 2.393 10 0 EEAEHO O[C@@H](COCc1cccs1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193080840 465025673 /nfs/dbraw/zinc/02/56/73/465025673.db2.gz VDQLWGLJPQYLIC-QGZVFWFLSA-N 1 3 338.517 2.433 10 0 EEAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000337312605 465300309 /nfs/dbraw/zinc/30/03/09/465300309.db2.gz FMJPMIJOSLNYLU-ZWKOTPCHSA-N 1 3 325.541 2.131 10 0 EEAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000337312605 465300316 /nfs/dbraw/zinc/30/03/16/465300316.db2.gz FMJPMIJOSLNYLU-ZWKOTPCHSA-N 1 3 325.541 2.131 10 0 EEAEHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000119782521 462926296 /nfs/dbraw/zinc/92/62/96/462926296.db2.gz MZQCAEZQLONDID-QGZVFWFLSA-N 1 3 347.503 2.335 10 0 EEAEHO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000119782521 462926301 /nfs/dbraw/zinc/92/63/01/462926301.db2.gz MZQCAEZQLONDID-QGZVFWFLSA-N 1 3 347.503 2.335 10 0 EEAEHO CN(C)[C@@H]1CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000170828672 463716002 /nfs/dbraw/zinc/71/60/02/463716002.db2.gz SFACHEAAUHVLKA-LJQANCHMSA-N 1 3 344.503 2.039 10 0 EEAEHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000171774897 463925098 /nfs/dbraw/zinc/92/50/98/463925098.db2.gz LVJWXECSBSQCME-IAGOWNOFSA-N 1 3 336.524 2.377 10 0 EEAEHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000171774897 463925104 /nfs/dbraw/zinc/92/51/04/463925104.db2.gz LVJWXECSBSQCME-IAGOWNOFSA-N 1 3 336.524 2.377 10 0 EEAEHO COc1c(C)cc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1C ZINC000262139671 463956517 /nfs/dbraw/zinc/95/65/17/463956517.db2.gz ZBGOBJCZROMWCK-KRWDZBQOSA-N 1 3 333.476 2.132 10 0 EEAEHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000172186889 464011686 /nfs/dbraw/zinc/01/16/86/464011686.db2.gz TWSCXIJZLAIIFM-HNNXBMFYSA-N 1 3 336.524 2.423 10 0 EEAEHO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292253105 464173796 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EEAEHO CCCC[N@H+](C)CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000340088211 465755596 /nfs/dbraw/zinc/75/55/96/465755596.db2.gz KIWKAJHGJMXEAE-ROUUACIJSA-N 1 3 332.492 2.463 10 0 EEAEHO CCCC[N@@H+](C)CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000340088211 465755604 /nfs/dbraw/zinc/75/56/04/465755604.db2.gz KIWKAJHGJMXEAE-ROUUACIJSA-N 1 3 332.492 2.463 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000353466061 465905421 /nfs/dbraw/zinc/90/54/21/465905421.db2.gz YATHZOAOOVZKFJ-MHORFTMASA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000353466061 465905427 /nfs/dbraw/zinc/90/54/27/465905427.db2.gz YATHZOAOOVZKFJ-MHORFTMASA-N 1 3 336.524 2.375 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](O)CC(C)(C)C ZINC000362687878 465941258 /nfs/dbraw/zinc/94/12/58/465941258.db2.gz XLDRRDVRWDWBOY-IRXDYDNUSA-N 1 3 341.540 2.048 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](O)CC(C)(C)C ZINC000362687878 465941267 /nfs/dbraw/zinc/94/12/67/465941267.db2.gz XLDRRDVRWDWBOY-IRXDYDNUSA-N 1 3 341.540 2.048 10 0 EEAEHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000580079733 468463269 /nfs/dbraw/zinc/46/32/69/468463269.db2.gz ACWVDMNSJWMBFU-JSGCOSHPSA-N 1 3 335.414 2.379 10 0 EEAEHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000580079733 468463278 /nfs/dbraw/zinc/46/32/78/468463278.db2.gz ACWVDMNSJWMBFU-JSGCOSHPSA-N 1 3 335.414 2.379 10 0 EEAEHO CN1CCC(CC(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC1 ZINC000362737532 465988670 /nfs/dbraw/zinc/98/86/70/465988670.db2.gz YLOLYBAPFCOFDB-UHFFFAOYSA-N 1 3 346.475 2.247 10 0 EEAEHO COC(=O)c1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000597177850 468472272 /nfs/dbraw/zinc/47/22/72/468472272.db2.gz QGPJCTIMYLNIJC-UHFFFAOYSA-N 1 3 336.432 2.047 10 0 EEAEHO CCOC(=O)c1cccc(CNCC2CC[NH+](CC3CC3)CC2)n1 ZINC000600174818 468484293 /nfs/dbraw/zinc/48/42/93/468484293.db2.gz OJLYHTXBQJIRJZ-UHFFFAOYSA-N 1 3 331.460 2.470 10 0 EEAEHO CN(c1ccccc1CN1C[C@@H](O)C2(CC2)C1)C1CC[NH+](C)CC1 ZINC000372358683 466326212 /nfs/dbraw/zinc/32/62/12/466326212.db2.gz SPVPNTXXXXIJMQ-LJQANCHMSA-N 1 3 329.488 2.174 10 0 EEAEHO CCNC(=O)COc1cccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367626291 466458759 /nfs/dbraw/zinc/45/87/59/466458759.db2.gz NUXJFSLCHFYUQH-OTWHNJEPSA-N 1 3 345.487 2.164 10 0 EEAEHO CCNC(=O)COc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367626291 466458768 /nfs/dbraw/zinc/45/87/68/466458768.db2.gz NUXJFSLCHFYUQH-OTWHNJEPSA-N 1 3 345.487 2.164 10 0 EEAEHO CCNC(=O)COc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c1 ZINC000367626291 466458771 /nfs/dbraw/zinc/45/87/71/466458771.db2.gz NUXJFSLCHFYUQH-OTWHNJEPSA-N 1 3 345.487 2.164 10 0 EEAEHO C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000368428089 466633570 /nfs/dbraw/zinc/63/35/70/466633570.db2.gz CAGYMJHTCUYDON-LORHWOILSA-N 1 3 345.487 2.287 10 0 EEAEHO C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000368428985 466633849 /nfs/dbraw/zinc/63/38/49/466633849.db2.gz KFXUJLVUYSTMKI-GFIVTLFCSA-N 1 3 345.487 2.287 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000417220301 466806436 /nfs/dbraw/zinc/80/64/36/466806436.db2.gz LGRXBHSPPNOXNR-AYBZRNKSSA-N 1 3 342.487 2.358 10 0 EEAEHO CC(C)[C@H]([NH3+])CNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418038783 467030860 /nfs/dbraw/zinc/03/08/60/467030860.db2.gz FWLGEUIVPDANEY-MJGOQNOKSA-N 1 3 332.492 2.324 10 0 EEAEHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418040687 467031674 /nfs/dbraw/zinc/03/16/74/467031674.db2.gz JIZBQCUBXJVOJG-AZUAARDMSA-N 1 3 344.503 2.435 10 0 EEAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)N(C)C ZINC000418183581 467068431 /nfs/dbraw/zinc/06/84/31/467068431.db2.gz OLLZXDTXJZYOSD-FZCLSBEQSA-N 1 3 332.492 2.283 10 0 EEAEHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000418498398 467119644 /nfs/dbraw/zinc/11/96/44/467119644.db2.gz 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ZINC000379652939 467370268 /nfs/dbraw/zinc/37/02/68/467370268.db2.gz YMQKIPIUBTZQSZ-PMACEKPBSA-N 1 3 331.504 2.086 10 0 EEAEHO CC(C)C[C@H]([NH3+])CN1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000414707215 467431002 /nfs/dbraw/zinc/43/10/02/467431002.db2.gz YPXJIOYZRGKZRE-FQEVSTJZSA-N 1 3 332.536 2.109 10 0 EEAEHO COc1cc(CN2CC[C@@H](NC[C@@H]([NH3+])CC(C)C)C2)cc(OC)c1 ZINC000415088986 467487506 /nfs/dbraw/zinc/48/75/06/467487506.db2.gz WASTZGNBQDIHTN-DLBZAZTESA-N 1 3 335.492 2.241 10 0 EEAEHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529307983 467843719 /nfs/dbraw/zinc/84/37/19/467843719.db2.gz MZTSSHAHQSKKJD-MSOLQXFVSA-N 1 3 342.487 2.235 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)CC1 ZINC000530966294 468020536 /nfs/dbraw/zinc/02/05/36/468020536.db2.gz UXJNVNDSBXOMKT-GOSISDBHSA-N 1 3 342.487 2.302 10 0 EEAEHO [NH3+]C1CCC(OCC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000567775206 468207282 /nfs/dbraw/zinc/20/72/82/468207282.db2.gz DHKOHMKOZXAROE-ACBHZAAOSA-N 1 3 345.487 2.226 10 0 EEAEHO Cc1cc(N2CCC[C@H](NC3CC[NH+](CC4CC4)CC3)C2)n(C)n1 ZINC000570009765 468576570 /nfs/dbraw/zinc/57/65/70/468576570.db2.gz YXTDELJNKIZWDL-SFHVURJKSA-N 1 3 331.508 2.161 10 0 EEAEHO C[NH+]1CCC2(CCN(C(=O)CCN3CCc4ccccc4C3)C2)CC1 ZINC000614965144 469108316 /nfs/dbraw/zinc/10/83/16/469108316.db2.gz NJILAFAKZHQMEG-UHFFFAOYSA-N 1 3 341.499 2.379 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616994238 469561724 /nfs/dbraw/zinc/56/17/24/469561724.db2.gz WXFLWPUYULMVQB-INIZCTEOSA-N 1 3 347.503 2.477 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000616994238 469561726 /nfs/dbraw/zinc/56/17/26/469561726.db2.gz WXFLWPUYULMVQB-INIZCTEOSA-N 1 3 347.503 2.477 10 0 EEAEHO C[C@@H](Cc1ccc(Br)cc1)NCC1([NH3+])CCOCC1 ZINC000629522040 469571853 /nfs/dbraw/zinc/57/18/53/469571853.db2.gz VZJQUXQADPPUDR-LBPRGKRZSA-N 1 3 327.266 2.478 10 0 EEAEHO C[N@@H+]1CC[C@H](NCc2cccc(CN3CCOCC3)c2)CC1(C)C ZINC000623362528 469634953 /nfs/dbraw/zinc/63/49/53/469634953.db2.gz XNQUDJBIXHCQTN-IBGZPJMESA-N 1 3 331.504 2.481 10 0 EEAEHO C[N@H+]1CC[C@H](NCc2cccc(CN3CCOCC3)c2)CC1(C)C ZINC000623362528 469634959 /nfs/dbraw/zinc/63/49/59/469634959.db2.gz XNQUDJBIXHCQTN-IBGZPJMESA-N 1 3 331.504 2.481 10 0 EEAEHO CN1CC[C@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)CC1(C)C ZINC000623362528 469634962 /nfs/dbraw/zinc/63/49/62/469634962.db2.gz XNQUDJBIXHCQTN-IBGZPJMESA-N 1 3 331.504 2.481 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1nsc2ccccc12 ZINC000617502602 469699476 /nfs/dbraw/zinc/69/94/76/469699476.db2.gz VTRCYWPRAXXXNO-AWEZNQCLSA-N 1 3 348.516 2.227 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1nsc2ccccc12 ZINC000617502602 469699480 /nfs/dbraw/zinc/69/94/80/469699480.db2.gz VTRCYWPRAXXXNO-AWEZNQCLSA-N 1 3 348.516 2.227 10 0 EEAEHO CSc1ccsc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506037 469703309 /nfs/dbraw/zinc/70/33/09/469703309.db2.gz YQGVPCBQJXHHKK-LBPRGKRZSA-N 1 3 329.535 2.472 10 0 EEAEHO CSc1ccsc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506037 469703311 /nfs/dbraw/zinc/70/33/11/469703311.db2.gz YQGVPCBQJXHHKK-LBPRGKRZSA-N 1 3 329.535 2.472 10 0 EEAEHO Cc1noc(C)c1[C@H](C)CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506295 469705627 /nfs/dbraw/zinc/70/56/27/469705627.db2.gz JCVZHTBAZSXPNA-KGLIPLIRSA-N 1 3 338.496 2.173 10 0 EEAEHO Cc1noc(C)c1[C@H](C)CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506295 469705632 /nfs/dbraw/zinc/70/56/32/469705632.db2.gz JCVZHTBAZSXPNA-KGLIPLIRSA-N 1 3 338.496 2.173 10 0 EEAEHO CC[C@H](CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1)N1CCc2ccccc2C1 ZINC000626934656 469760991 /nfs/dbraw/zinc/76/09/91/469760991.db2.gz KSHDOUKBDPIYDX-ZYSHUDEJSA-N 1 3 344.503 2.263 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C[NH2+]1 ZINC000627199022 469841590 /nfs/dbraw/zinc/84/15/90/469841590.db2.gz QCENYJKMMYXBLU-ZHALLVOQSA-N 1 3 344.503 2.433 10 0 EEAEHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000631824878 470185773 /nfs/dbraw/zinc/18/57/73/470185773.db2.gz STLJOCWPJFJFLG-IPMKNSEASA-N 1 3 339.487 2.438 10 0 EEAEHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000631824878 470185774 /nfs/dbraw/zinc/18/57/74/470185774.db2.gz STLJOCWPJFJFLG-IPMKNSEASA-N 1 3 339.487 2.438 10 0 EEAEHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C[C@H]1CCc2ncnn21 ZINC000631824878 470185775 /nfs/dbraw/zinc/18/57/75/470185775.db2.gz STLJOCWPJFJFLG-IPMKNSEASA-N 1 3 339.487 2.438 10 0 EEAEHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000631824879 470185786 /nfs/dbraw/zinc/18/57/86/470185786.db2.gz STLJOCWPJFJFLG-OTWHNJEPSA-N 1 3 339.487 2.438 10 0 EEAEHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000631824879 470185787 /nfs/dbraw/zinc/18/57/87/470185787.db2.gz STLJOCWPJFJFLG-OTWHNJEPSA-N 1 3 339.487 2.438 10 0 EEAEHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C[C@H]1CCc2ncnn21 ZINC000631824879 470185788 /nfs/dbraw/zinc/18/57/88/470185788.db2.gz STLJOCWPJFJFLG-OTWHNJEPSA-N 1 3 339.487 2.438 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634760354 470299734 /nfs/dbraw/zinc/29/97/34/470299734.db2.gz BYOFXETVTUWEQB-HNNXBMFYSA-N 1 3 333.476 2.135 10 0 EEAEHO C[C@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CCc2ccccc21 ZINC000649833010 470713613 /nfs/dbraw/zinc/71/36/13/470713613.db2.gz BMCMWONFCVBQOT-INIZCTEOSA-N 1 3 341.499 2.391 10 0 EEAEHO C[C@H]([NH2+]CCCc1ncn(C)n1)c1ccc(OCCN(C)C)cc1 ZINC000647326154 470883010 /nfs/dbraw/zinc/88/30/10/470883010.db2.gz YQRYQGXGIMOYIX-HNNXBMFYSA-N 1 3 331.464 2.039 10 0 EEAEHO CN1CC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@H]1c1ccccc1 ZINC000654509527 471047748 /nfs/dbraw/zinc/04/77/48/471047748.db2.gz BNUVWDZHZJQJER-XOYOTBSWSA-N 1 3 330.476 2.071 10 0 EEAEHO c1cc(CNCC2([NH+]3CCCC3)CCOCC2)n(-c2ccncc2)n1 ZINC000657350560 471108478 /nfs/dbraw/zinc/10/84/78/471108478.db2.gz TVDCRWXZFPINSU-UHFFFAOYSA-N 1 3 341.459 2.002 10 0 EEAEHO c1cc(C[NH2+]CC2(N3CCCC3)CCOCC2)n(-c2ccncc2)n1 ZINC000657350560 471108484 /nfs/dbraw/zinc/10/84/84/471108484.db2.gz TVDCRWXZFPINSU-UHFFFAOYSA-N 1 3 341.459 2.002 10 0 EEAEHO Cc1ccc2cc(C[NH2+]CCCN3CCC[C@H](C(N)=O)C3)[nH]c2c1 ZINC000657350286 471109482 /nfs/dbraw/zinc/10/94/82/471109482.db2.gz RTVORHVKTGORBM-INIZCTEOSA-N 1 3 328.460 2.153 10 0 EEAEHO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CO1 ZINC000657363693 471114505 /nfs/dbraw/zinc/11/45/05/471114505.db2.gz AVFNCJHRONDNFK-RBUKOAKNSA-N 1 3 345.487 2.169 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C)[C@H](F)C3)CC2)CC1 ZINC000654986858 471242863 /nfs/dbraw/zinc/24/28/63/471242863.db2.gz ZHXKWISWXIVQGB-CRAIPNDOSA-N 1 3 339.499 2.389 10 0 EEAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCC1(C[NH3+])CC1)N(C)C ZINC000652191533 471253256 /nfs/dbraw/zinc/25/32/56/471253256.db2.gz XLNWYODCYFEXKU-RDJZCZTQSA-N 1 3 332.492 2.414 10 0 EEAEHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H]1COC2(CCC2)C1 ZINC000657969617 471254065 /nfs/dbraw/zinc/25/40/65/471254065.db2.gz SFOMALQVIWDUDG-RBUKOAKNSA-N 1 3 330.472 2.445 10 0 EEAEHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1COC2(CCC2)C1 ZINC000657969617 471254067 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ZINC001267181762 1178443254 /nfs/dbraw/zinc/44/32/54/1178443254.db2.gz NGFOOSMPYFAUTG-CRAIPNDOSA-N 1 3 348.466 2.033 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC001481120667 1179803749 /nfs/dbraw/zinc/80/37/49/1179803749.db2.gz IOJUZEHRODJKBS-APWZRJJASA-N 1 3 329.488 2.454 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001481120667 1179803757 /nfs/dbraw/zinc/80/37/57/1179803757.db2.gz IOJUZEHRODJKBS-APWZRJJASA-N 1 3 329.488 2.454 10 0 EEAEHO CCN(CC)C[C@@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001481380833 1181163571 /nfs/dbraw/zinc/16/35/71/1181163571.db2.gz UDYCTFRPKDSOLQ-IXDOHACOSA-N 1 3 327.488 2.388 10 0 EEAEHO CCN(CC)C[C@@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001481380833 1181163575 /nfs/dbraw/zinc/16/35/75/1181163575.db2.gz UDYCTFRPKDSOLQ-IXDOHACOSA-N 1 3 327.488 2.388 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001268413871 1182566731 /nfs/dbraw/zinc/56/67/31/1182566731.db2.gz IUWPUJNRSDCKAS-HNAYVOBHSA-N 1 3 331.504 2.500 10 0 EEAEHO C[C@H](CNCc1c(F)cccc1F)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001482136538 1183448934 /nfs/dbraw/zinc/44/89/34/1183448934.db2.gz MPMHLYRNHGTUHX-CYBMUJFWSA-N 1 3 339.430 2.149 10 0 EEAEHO CC[N@H+](C)CCC(=O)NCC1(N[C@H](C)c2cnc(C)cn2)CCCC1 ZINC001482234589 1184430913 /nfs/dbraw/zinc/43/09/13/1184430913.db2.gz YIHUHKZGKMLECD-MRXNPFEDSA-N 1 3 347.507 2.206 10 0 EEAEHO CC[N@@H+](C)CCC(=O)NCC1(N[C@H](C)c2cnc(C)cn2)CCCC1 ZINC001482234589 1184430915 /nfs/dbraw/zinc/43/09/15/1184430915.db2.gz YIHUHKZGKMLECD-MRXNPFEDSA-N 1 3 347.507 2.206 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)N[C@@](C)(CNCC=C(Cl)Cl)C2CC2)C1 ZINC001269653057 1184481655 /nfs/dbraw/zinc/48/16/55/1184481655.db2.gz UQURJGPTPNXEIS-NHYWBVRUSA-N 1 3 334.291 2.132 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)N[C@@](C)(CNCC=C(Cl)Cl)C2CC2)C1 ZINC001269653057 1184481657 /nfs/dbraw/zinc/48/16/57/1184481657.db2.gz UQURJGPTPNXEIS-NHYWBVRUSA-N 1 3 334.291 2.132 10 0 EEAEHO CCc1nocc1C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001269712332 1184544452 /nfs/dbraw/zinc/54/44/52/1184544452.db2.gz PBBQJDFGDRSBRJ-QAPCUYQASA-N 1 3 348.491 2.050 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CCCc1ccccc1 ZINC001270137101 1184876783 /nfs/dbraw/zinc/87/67/83/1184876783.db2.gz USKNZSFPNANAMW-GOSISDBHSA-N 1 3 326.444 2.166 10 0 EEAEHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CCc2cccs2)CCC1 ZINC001270221201 1184934164 /nfs/dbraw/zinc/93/41/64/1184934164.db2.gz ALJISXSFEHCJLU-OAHLLOKOSA-N 1 3 335.517 2.356 10 0 EEAEHO COCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001271102000 1185886642 /nfs/dbraw/zinc/88/66/42/1185886642.db2.gz ONXNSIUXMCEFPQ-CRAIPNDOSA-N 1 3 345.503 2.062 10 0 EEAEHO C[C@@H](C[NH2+]CCc1ccccc1)N(C)C(=O)CN1CCC(C)CC1 ZINC001271156693 1185992148 /nfs/dbraw/zinc/99/21/48/1185992148.db2.gz ZHEXOQPUQVYAKN-SFHVURJKSA-N 1 3 331.504 2.398 10 0 EEAEHO C[C@@H](C[NH2+]CCC[C@H]1CCOC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001483227651 1189512359 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EEAEHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001448774581 1093852753 /nfs/dbraw/zinc/85/27/53/1093852753.db2.gz KAPCMLWBLXQNRC-MRXNPFEDSA-N 1 3 334.508 2.029 10 0 EEAEHO COCc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001440791545 1094032944 /nfs/dbraw/zinc/03/29/44/1094032944.db2.gz FUYXLIBBRGPNQW-HZPDHXFCSA-N 1 3 347.503 2.300 10 0 EEAEHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NCc1ccccc1OC1CC1 ZINC001441932867 1096123492 /nfs/dbraw/zinc/12/34/92/1096123492.db2.gz FYZQAUDVGPUXBE-OAHLLOKOSA-N 1 3 345.487 2.164 10 0 EEAEHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCc2ccc(Cl)cc21 ZINC001442616276 1096986280 /nfs/dbraw/zinc/98/62/80/1096986280.db2.gz ZYEPFLZIHJKNBZ-PBHICJAKSA-N 1 3 335.879 2.327 10 0 EEAEHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCc2ccc(Cl)cc21 ZINC001442616276 1096986284 /nfs/dbraw/zinc/98/62/84/1096986284.db2.gz ZYEPFLZIHJKNBZ-PBHICJAKSA-N 1 3 335.879 2.327 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)NCc1ccc(F)cn1 ZINC001443937015 1098456318 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CC(C)OCCC[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001502138650 1113612212 /nfs/dbraw/zinc/61/22/12/1113612212.db2.gz WLGCTAVJJFZGNR-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001506065808 1114389837 /nfs/dbraw/zinc/38/98/37/1114389837.db2.gz WPDAXBOCRMXYMQ-OAHLLOKOSA-N 1 3 330.476 2.445 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001506065808 1114389842 /nfs/dbraw/zinc/38/98/42/1114389842.db2.gz WPDAXBOCRMXYMQ-OAHLLOKOSA-N 1 3 330.476 2.445 10 0 EEAEHO Cc1oncc1CNCC1(NC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001506518571 1114668212 /nfs/dbraw/zinc/66/82/12/1114668212.db2.gz RVEHJPHIEXTVCX-UHFFFAOYSA-N 1 3 348.491 2.234 10 0 EEAEHO CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1coc(C2CC2)n1 ZINC001506992632 1115037650 /nfs/dbraw/zinc/03/76/50/1115037650.db2.gz KVZUBMLKKCTVNY-NVXWUHKLSA-N 1 3 348.491 2.124 10 0 EEAEHO CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1coc(C2CC2)n1 ZINC001506992632 1115037653 /nfs/dbraw/zinc/03/76/53/1115037653.db2.gz KVZUBMLKKCTVNY-NVXWUHKLSA-N 1 3 348.491 2.124 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001507014162 1115054817 /nfs/dbraw/zinc/05/48/17/1115054817.db2.gz WJDMCMUXSQZSPF-PLHDSQEVSA-N 1 3 327.900 2.438 10 0 EEAEHO COCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC001507296425 1115179523 /nfs/dbraw/zinc/17/95/23/1115179523.db2.gz IVERLBWYUTYKLR-VQIMIIECSA-N 1 3 347.503 2.367 10 0 EEAEHO Cc1ccncc1CN1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001508065425 1115408896 /nfs/dbraw/zinc/40/88/96/1115408896.db2.gz ZKKLIAHFYVYOBP-MRXNPFEDSA-N 1 3 332.492 2.058 10 0 EEAEHO CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2cccc(Cl)n2)C1)N(C)C ZINC001508141084 1115426711 /nfs/dbraw/zinc/42/67/11/1115426711.db2.gz NPQDHLCWTSQOIS-YMAMQOFZSA-N 1 3 338.883 2.154 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+]CC[C@H]2CCCO2)CC1 ZINC001568097980 1124301348 /nfs/dbraw/zinc/30/13/48/1124301348.db2.gz NJZZAAXGDWBVIP-GOSISDBHSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)OCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001568407793 1124476908 /nfs/dbraw/zinc/47/69/08/1124476908.db2.gz VADJEILLUDFONG-IRXDYDNUSA-N 1 3 339.524 2.112 10 0 EEAEHO CN(CCC[NH2+]Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN1C ZINC001569188050 1125153178 /nfs/dbraw/zinc/15/31/78/1125153178.db2.gz BKGFEFMDGPCENA-ZDUSSCGKSA-N 1 3 329.897 2.434 10 0 EEAEHO Cn1cc(N2CCC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cn1 ZINC000422784008 240225950 /nfs/dbraw/zinc/22/59/50/240225950.db2.gz PCGGXVOLMVEHKM-DSLXNQLJSA-N 1 3 331.508 2.289 10 0 EEAEHO CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000425370350 241141285 /nfs/dbraw/zinc/14/12/85/241141285.db2.gz NYONCKPEFAJHIQ-MSOLQXFVSA-N 1 3 347.528 2.368 10 0 EEAEHO CN(c1ccccc1C[NH2+]CCc1cn(C)cn1)C1CCN(C)CC1 ZINC000459668809 245203865 /nfs/dbraw/zinc/20/38/65/245203865.db2.gz UEWDBIALEZUITL-UHFFFAOYSA-N 1 3 341.503 2.283 10 0 EEAEHO CCN1CCCC[C@H]1CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000110993426 220088684 /nfs/dbraw/zinc/08/86/84/220088684.db2.gz JDJMCFFOQIRXAF-INIZCTEOSA-N 1 3 333.476 2.231 10 0 EEAEHO CSCC[NH2+]Cc1ccc(OC[C@@H](O)CN2CCCCC2)cc1 ZINC000011874543 211262197 /nfs/dbraw/zinc/26/21/97/211262197.db2.gz BFGNTSBRBJCAOR-KRWDZBQOSA-N 1 3 338.517 2.365 10 0 EEAEHO COc1cc2[nH+]ccc(N3C[C@H](C)N(CCO)C[C@@H]3C)c2cc1OC ZINC000418991580 533179341 /nfs/dbraw/zinc/17/93/41/533179341.db2.gz FBUVYKNDYOFXQU-KBPBESRZSA-N 1 3 345.443 2.143 10 0 EEAEHO CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000270347086 256125810 /nfs/dbraw/zinc/12/58/10/256125810.db2.gz MXBHZNFFFREOOZ-ZWKOTPCHSA-N 1 3 330.476 2.215 10 0 EEAEHO CC(C)CN(CCN(C)C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119015645 292240394 /nfs/dbraw/zinc/24/03/94/292240394.db2.gz KRONWLAXTZNIBV-UHFFFAOYSA-N 1 3 326.529 2.336 10 0 EEAEHO CN1CCNC[C@H]1c1noc(-c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000263146677 152386621 /nfs/dbraw/zinc/38/66/21/152386621.db2.gz CUHMXQJZLBYSLY-KRWDZBQOSA-N 1 3 341.459 2.299 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)NCCC3(F)CCC3)CC2)CC1 ZINC000344717127 161238941 /nfs/dbraw/zinc/23/89/41/161238941.db2.gz AUXNHJKMGXBCJO-UHFFFAOYSA-N 1 3 340.487 2.127 10 0 EEAEHO O=C(NC1CC([NH+]2CCCCC2)C1)C1C[C@@H](c2ccccc2)OC1=O ZINC000377852888 167568039 /nfs/dbraw/zinc/56/80/39/167568039.db2.gz UXVKDKRKOSYLJE-HIEASXQVSA-N 1 3 342.439 2.424 10 0 EEAEHO CCN(CC)CC(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190570740 274044940 /nfs/dbraw/zinc/04/49/40/274044940.db2.gz KPAYCVJGXOWMMU-OAHLLOKOSA-N 1 3 338.521 2.074 10 0 EEAEHO CCN(CC)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190570740 274044941 /nfs/dbraw/zinc/04/49/41/274044941.db2.gz KPAYCVJGXOWMMU-OAHLLOKOSA-N 1 3 338.521 2.074 10 0 EEAEHO CC1=CCN(CCNC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000341360033 276182882 /nfs/dbraw/zinc/18/28/82/276182882.db2.gz DIDHLUZWABVVJV-SFHVURJKSA-N 1 3 344.503 2.458 10 0 EEAEHO CC1=CCN(CCNC(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000341360033 276182883 /nfs/dbraw/zinc/18/28/83/276182883.db2.gz DIDHLUZWABVVJV-SFHVURJKSA-N 1 3 344.503 2.458 10 0 EEAEHO C[C@H]1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)[C@H](C[NH3+])C1 ZINC000333496850 312156484 /nfs/dbraw/zinc/15/64/84/312156484.db2.gz CXGZBRGFVSKKLR-YJBOKZPZSA-N 1 3 345.491 2.067 10 0 EEAEHO CC[NH2+][C@H](C)CNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000416910866 313358164 /nfs/dbraw/zinc/35/81/64/313358164.db2.gz ZVBRHGXJGLLEPD-MRXNPFEDSA-N 1 3 332.492 2.470 10 0 EEAEHO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000528717030 317458756 /nfs/dbraw/zinc/45/87/56/317458756.db2.gz XRPVWZLHCZLSNS-MRXNPFEDSA-N 1 3 332.448 2.117 10 0 EEAEHO COc1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc(OC)c1 ZINC000530249312 317704747 /nfs/dbraw/zinc/70/47/47/317704747.db2.gz VATHCTIWCLXCIY-KRWDZBQOSA-N 1 3 334.460 2.294 10 0 EEAEHO Cc1c(C(=O)N(CCN(C)C)CC[NH+](C)C)sc2nccc(C)c12 ZINC000531357644 317788978 /nfs/dbraw/zinc/78/89/78/317788978.db2.gz OBLMMICGIVKJSY-UHFFFAOYSA-N 1 3 348.516 2.479 10 0 EEAEHO NC[C@@H]1c2ccccc2CCN1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000563093486 318971044 /nfs/dbraw/zinc/97/10/44/318971044.db2.gz SEIVDBYJWCKCOB-ZWKOTPCHSA-N 1 3 330.476 2.162 10 0 EEAEHO O=C(N[C@H]1CNCCC1(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000565950491 319229620 /nfs/dbraw/zinc/22/96/20/319229620.db2.gz GJTBZWDVGQDYNJ-INIZCTEOSA-N 1 3 337.414 2.012 10 0 EEAEHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000576224794 320152200 /nfs/dbraw/zinc/15/22/00/320152200.db2.gz CJWVGNKCCJXLJK-YJBOKZPZSA-N 1 3 332.492 2.375 10 0 EEAEHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000576224794 320152202 /nfs/dbraw/zinc/15/22/02/320152202.db2.gz CJWVGNKCCJXLJK-YJBOKZPZSA-N 1 3 332.492 2.375 10 0 EEAEHO CC(C)[NH2+]C1(CO)CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000577646533 320268194 /nfs/dbraw/zinc/26/81/94/320268194.db2.gz NKANIOWWRUHIMG-IBGZPJMESA-N 1 3 331.504 2.086 10 0 EEAEHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CNCc2ccccc21 ZINC000580831263 324137403 /nfs/dbraw/zinc/13/74/03/324137403.db2.gz LGSKGCWBSDODHR-ICSRJNTNSA-N 1 3 337.467 2.163 10 0 EEAEHO CNC(=O)[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)Cc1ccc(F)cc1C ZINC000580952203 324157850 /nfs/dbraw/zinc/15/78/50/324157850.db2.gz NRZICTZXMKIVMU-OWQGQXMQSA-N 1 3 335.467 2.017 10 0 EEAEHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1CNCc2ccccc21 ZINC000581193468 324204426 /nfs/dbraw/zinc/20/44/26/324204426.db2.gz NKJPICUIMWSJCU-MRXNPFEDSA-N 1 3 325.387 2.297 10 0 EEAEHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000582133571 324388030 /nfs/dbraw/zinc/38/80/30/324388030.db2.gz BSSSNHOZKIHTNH-SFHVURJKSA-N 1 3 346.519 2.320 10 0 EEAEHO CC[NH+](CC)CCOCCNCc1ccc2c(c1)sc(=O)n2C ZINC000341401312 465147409 /nfs/dbraw/zinc/14/74/09/465147409.db2.gz ZIVQRHNUGUJFET-UHFFFAOYSA-N 1 3 337.489 2.048 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)CCc2c(C)nc3ccccn3c2=O)C[C@@H]1C ZINC000351518175 465197727 /nfs/dbraw/zinc/19/77/27/465197727.db2.gz LMIHCQCQQRNALC-RDJZCZTQSA-N 1 3 342.487 2.350 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)CCc2c(C)nc3ccccn3c2=O)C[C@@H]1C ZINC000351518175 465197734 /nfs/dbraw/zinc/19/77/34/465197734.db2.gz LMIHCQCQQRNALC-RDJZCZTQSA-N 1 3 342.487 2.350 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(=O)OC)C2)CC1 ZINC000351601561 465246885 /nfs/dbraw/zinc/24/68/85/465246885.db2.gz ISSFFCFYVFHILK-SFHVURJKSA-N 1 3 345.487 2.214 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C(=O)OC)C2)CC1 ZINC000351601561 465246889 /nfs/dbraw/zinc/24/68/89/465246889.db2.gz ISSFFCFYVFHILK-SFHVURJKSA-N 1 3 345.487 2.214 10 0 EEAEHO CC(C)(CNC(=O)[C@H]1CCCN1C1CCOCC1)[NH+]1CCCCC1 ZINC000153436694 462649594 /nfs/dbraw/zinc/64/95/94/462649594.db2.gz DMAOKLFBASOLAY-QGZVFWFLSA-N 1 3 337.508 2.011 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CN1C1CC1 ZINC000130204310 462745360 /nfs/dbraw/zinc/74/53/60/462745360.db2.gz JAGXIQWGMGNDON-WBVHZDCISA-N 1 3 334.508 2.129 10 0 EEAEHO C[N@@H+]1CC[C@H](NCCN2CCN(c3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000552238970 468319529 /nfs/dbraw/zinc/31/95/29/468319529.db2.gz XIMAYQWWGXSBIJ-QHAWAJNXSA-N 1 3 342.531 2.271 10 0 EEAEHO C[N@H+]1CC[C@H](NCCN2CCN(c3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000552238970 468319533 /nfs/dbraw/zinc/31/95/33/468319533.db2.gz XIMAYQWWGXSBIJ-QHAWAJNXSA-N 1 3 342.531 2.271 10 0 EEAEHO CC(C)CN1CCC([NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000091283089 462869387 /nfs/dbraw/zinc/86/93/87/462869387.db2.gz XSWOUAVJPMIOGH-CQSZACIVSA-N 1 3 339.505 2.105 10 0 EEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000123173010 463322323 /nfs/dbraw/zinc/32/23/23/463322323.db2.gz RCIRRZHYJVEISX-SJORKVTESA-N 1 3 326.529 2.240 10 0 EEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000123173010 463322329 /nfs/dbraw/zinc/32/23/29/463322329.db2.gz RCIRRZHYJVEISX-SJORKVTESA-N 1 3 326.529 2.240 10 0 EEAEHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CCCN2C)cc1 ZINC000139430086 463324284 /nfs/dbraw/zinc/32/42/84/463324284.db2.gz RZODUDUTDZOUEZ-SFHVURJKSA-N 1 3 332.492 2.422 10 0 EEAEHO CN1CCC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000057798368 463519399 /nfs/dbraw/zinc/51/93/99/463519399.db2.gz LLKJFIFSVLRJAX-SFHVURJKSA-N 1 3 330.476 2.176 10 0 EEAEHO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(OCCN(C)C)cc1 ZINC000125458541 463546680 /nfs/dbraw/zinc/54/66/80/463546680.db2.gz ZRSUVLGSZRTSFX-LPHOPBHVSA-N 1 3 336.476 2.067 10 0 EEAEHO OCCN(Cc1cc(Br)cs1)CC1CC[NH2+]CC1 ZINC000261783520 463859306 /nfs/dbraw/zinc/85/93/06/463859306.db2.gz NYPCJTQVNXZPQW-UHFFFAOYSA-N 1 3 333.295 2.305 10 0 EEAEHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3(N)CCOCC3)cc2)C1 ZINC000261890952 463889959 /nfs/dbraw/zinc/88/99/59/463889959.db2.gz QLZGVNPFWUTOEV-MRXNPFEDSA-N 1 3 345.487 2.043 10 0 EEAEHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3(N)CCOCC3)cc2)C1 ZINC000261890952 463889966 /nfs/dbraw/zinc/88/99/66/463889966.db2.gz QLZGVNPFWUTOEV-MRXNPFEDSA-N 1 3 345.487 2.043 10 0 EEAEHO N[C@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CCOCC1 ZINC000262082304 463941621 /nfs/dbraw/zinc/94/16/21/463941621.db2.gz TXWWNEJULRYKJJ-KRWDZBQOSA-N 1 3 337.508 2.045 10 0 EEAEHO C[N@@H+]1CC[C@@]2(CCN(CCCCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000292247501 464172676 /nfs/dbraw/zinc/17/26/76/464172676.db2.gz XLDLLUGVNKOXMG-HXUWFJFHSA-N 1 3 341.455 2.090 10 0 EEAEHO C[N@H+]1CC[C@@]2(CCN(CCCCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000292247501 464172680 /nfs/dbraw/zinc/17/26/80/464172680.db2.gz XLDLLUGVNKOXMG-HXUWFJFHSA-N 1 3 341.455 2.090 10 0 EEAEHO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCN2CCC[C@H]2C1 ZINC000176498902 464788199 /nfs/dbraw/zinc/78/81/99/464788199.db2.gz TYWCALMKMKVDBL-SFHVURJKSA-N 1 3 334.508 2.273 10 0 EEAEHO C[NH+](C)Cc1cccc(CNCCN2C(=O)c3ccccc3C2=O)c1 ZINC000298525217 465421091 /nfs/dbraw/zinc/42/10/91/465421091.db2.gz XBWZORUVZNATDI-UHFFFAOYSA-N 1 3 337.423 2.134 10 0 EEAEHO CC[N@H+](CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)C(C)C ZINC000340095022 465762975 /nfs/dbraw/zinc/76/29/75/465762975.db2.gz PGCDAYQUJPYCDV-ZWKOTPCHSA-N 1 3 332.492 2.461 10 0 EEAEHO CC[N@@H+](CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)C(C)C ZINC000340095022 465762977 /nfs/dbraw/zinc/76/29/77/465762977.db2.gz PGCDAYQUJPYCDV-ZWKOTPCHSA-N 1 3 332.492 2.461 10 0 EEAEHO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)N2CCOCC2)o1 ZINC000353464930 465904259 /nfs/dbraw/zinc/90/42/59/465904259.db2.gz WCLUAJXHTYKJTB-MANSERQUSA-N 1 3 347.503 2.424 10 0 EEAEHO C[N@@H+]1CC[C@H](NCc2ccc(Cn3cncn3)cc2)[C@H]2CCC[C@@H]21 ZINC000367616001 466451943 /nfs/dbraw/zinc/45/19/43/466451943.db2.gz MTHXDRDIAHXFCT-QYZOEREBSA-N 1 3 325.460 2.289 10 0 EEAEHO C[N@H+]1CC[C@H](NCc2ccc(Cn3cncn3)cc2)[C@H]2CCC[C@@H]21 ZINC000367616001 466451952 /nfs/dbraw/zinc/45/19/52/466451952.db2.gz MTHXDRDIAHXFCT-QYZOEREBSA-N 1 3 325.460 2.289 10 0 EEAEHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000363943813 466664081 /nfs/dbraw/zinc/66/40/81/466664081.db2.gz FLYGVKQTKWKFPJ-NPYXIHBLSA-N 1 3 336.524 2.421 10 0 EEAEHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000363943813 466664084 /nfs/dbraw/zinc/66/40/84/466664084.db2.gz FLYGVKQTKWKFPJ-NPYXIHBLSA-N 1 3 336.524 2.421 10 0 EEAEHO Cc1cc(N2CCC[C@H](N[C@H](Cc3ccccc3)[C@@H](C)[NH3+])C2)n(C)n1 ZINC000423070501 466692031 /nfs/dbraw/zinc/69/20/31/466692031.db2.gz CWHIACFWQZPLAG-NZSAHSFTSA-N 1 3 341.503 2.245 10 0 EEAEHO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000662252140 472042896 /nfs/dbraw/zinc/04/28/96/472042896.db2.gz MIJIXIOHLBDBAE-SFHVURJKSA-N 1 3 327.472 2.071 10 0 EEAEHO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000662252140 472042899 /nfs/dbraw/zinc/04/28/99/472042899.db2.gz MIJIXIOHLBDBAE-SFHVURJKSA-N 1 3 327.472 2.071 10 0 EEAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000417050909 466765418 /nfs/dbraw/zinc/76/54/18/466765418.db2.gz YILDMZHZGZLOJR-KFWWJZLASA-N 1 3 346.466 2.041 10 0 EEAEHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000417933483 466991260 /nfs/dbraw/zinc/99/12/60/466991260.db2.gz DXKAPDMBSFBROY-SZMVWBNQSA-N 1 3 330.476 2.073 10 0 EEAEHO C[NH2+]CCC1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000417939727 466994824 /nfs/dbraw/zinc/99/48/24/466994824.db2.gz KWOZBASQBSWDPF-RBUKOAKNSA-N 1 3 344.503 2.463 10 0 EEAEHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418035792 467030636 /nfs/dbraw/zinc/03/06/36/467030636.db2.gz BDUGPKJPYHHYAO-KPFFTGBYSA-N 1 3 344.503 2.420 10 0 EEAEHO C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000418333663 467094173 /nfs/dbraw/zinc/09/41/73/467094173.db2.gz FFVKPZCUYIYWPV-YTQUADARSA-N 1 3 344.503 2.290 10 0 EEAEHO CCN(C(=O)NCC1C[NH2+]C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418489054 467118293 /nfs/dbraw/zinc/11/82/93/467118293.db2.gz NPGPPGUGALUKJV-YJBOKZPZSA-N 1 3 330.476 2.073 10 0 EEAEHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000451353311 467253018 /nfs/dbraw/zinc/25/30/18/467253018.db2.gz NVBFLTOBQIYROR-ZCNNSNEGSA-N 1 3 337.552 2.418 10 0 EEAEHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000451353311 467253023 /nfs/dbraw/zinc/25/30/23/467253023.db2.gz NVBFLTOBQIYROR-ZCNNSNEGSA-N 1 3 337.552 2.418 10 0 EEAEHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529307985 467843136 /nfs/dbraw/zinc/84/31/36/467843136.db2.gz MZTSSHAHQSKKJD-ROUUACIJSA-N 1 3 342.487 2.235 10 0 EEAEHO C[NH+](C)C1CCC(NC(=O)N2CCc3ccccc3[C@@H]2CN)CC1 ZINC000570160097 468597944 /nfs/dbraw/zinc/59/79/44/468597944.db2.gz WKWUEQJKWUKPQK-HTWSVDAQSA-N 1 3 330.476 2.127 10 0 EEAEHO O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@H]1CNCCC1(F)F ZINC000557191608 468619567 /nfs/dbraw/zinc/61/95/67/468619567.db2.gz NAFVJJIMEZNXFG-HNNXBMFYSA-N 1 3 344.450 2.080 10 0 EEAEHO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000594939824 468727270 /nfs/dbraw/zinc/72/72/70/468727270.db2.gz FMDXDTYCOQKKIS-ZOCIIQOWSA-N 1 3 346.471 2.447 10 0 EEAEHO C[C@H](CNC(=O)Nc1ccc2c(c1)OCCNC2)C[NH+]1CCCCC1 ZINC000625944181 469444657 /nfs/dbraw/zinc/44/46/57/469444657.db2.gz OWBQFJHMKQRAJD-OAHLLOKOSA-N 1 3 346.475 2.412 10 0 EEAEHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000606703929 469634048 /nfs/dbraw/zinc/63/40/48/469634048.db2.gz JGGZYWNYJGALMB-GOSISDBHSA-N 1 3 336.524 2.234 10 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10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(C2CCCCC2)C1 ZINC000665762947 472177630 /nfs/dbraw/zinc/17/76/30/472177630.db2.gz VIIHWNMBBSHYDV-INIZCTEOSA-N 1 3 338.540 2.480 10 0 EEAEHO [NH3+]CCc1ccccc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662884702 472291034 /nfs/dbraw/zinc/29/10/34/472291034.db2.gz OSLOJHWPNFUVAJ-GOSISDBHSA-N 1 3 325.412 2.101 10 0 EEAEHO CSc1ccc([C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)N(C)C)cc1 ZINC000583094873 485579993 /nfs/dbraw/zinc/57/99/93/485579993.db2.gz XRAQKNMIPDEOKK-PBHICJAKSA-N 1 3 335.517 2.469 10 0 EEAEHO CSc1ccc([C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)N(C)C)cc1 ZINC000583094873 485579996 /nfs/dbraw/zinc/57/99/96/485579996.db2.gz XRAQKNMIPDEOKK-PBHICJAKSA-N 1 3 335.517 2.469 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCC1(F)F ZINC000673206948 486294945 /nfs/dbraw/zinc/29/49/45/486294945.db2.gz HZSBFBOKEIGSQM-LSDHHAIUSA-N 1 3 346.466 2.232 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCC1(F)F ZINC000673206948 486294949 /nfs/dbraw/zinc/29/49/49/486294949.db2.gz HZSBFBOKEIGSQM-LSDHHAIUSA-N 1 3 346.466 2.232 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2Cc3ccccc3[C@@H]2O)[C@H](C)C1 ZINC000178356377 528670380 /nfs/dbraw/zinc/67/03/80/528670380.db2.gz XBRBUBAHJXXHPK-NMLACTOBSA-N 1 3 332.488 2.371 10 0 EEAEHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2Cc3ccccc3[C@@H]2O)[C@H](C)C1 ZINC000178356377 528670387 /nfs/dbraw/zinc/67/03/87/528670387.db2.gz XBRBUBAHJXXHPK-NMLACTOBSA-N 1 3 332.488 2.371 10 0 EEAEHO CC(C)N1CCN(CCC[NH+]2CCC3(CCC(O)CC3)CC2)CC1 ZINC000451151094 535199818 /nfs/dbraw/zinc/19/98/18/535199818.db2.gz ACNKDMMWMOFZNA-UHFFFAOYSA-N 1 3 337.552 2.420 10 0 EEAEHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000451353308 535200208 /nfs/dbraw/zinc/20/02/08/535200208.db2.gz NVBFLTOBQIYROR-AQNXPRMDSA-N 1 3 337.552 2.418 10 0 EEAEHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000451353308 535200210 /nfs/dbraw/zinc/20/02/10/535200210.db2.gz NVBFLTOBQIYROR-AQNXPRMDSA-N 1 3 337.552 2.418 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCN1C ZINC000925324585 692205538 /nfs/dbraw/zinc/20/55/38/692205538.db2.gz VRECROVXZIXYOD-FGTMMUONSA-N 1 3 336.524 2.377 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001485657800 1191891827 /nfs/dbraw/zinc/89/18/27/1191891827.db2.gz NULZSNPGBOQGCS-CEXWTWQISA-N 1 3 344.503 2.139 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001485657800 1191891829 /nfs/dbraw/zinc/89/18/29/1191891829.db2.gz NULZSNPGBOQGCS-CEXWTWQISA-N 1 3 344.503 2.139 10 0 EEAEHO Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCN1CC=CCC1 ZINC001707904727 1177620472 /nfs/dbraw/zinc/62/04/72/1177620472.db2.gz IVYNMCWHBFEMNN-UHFFFAOYSA-N 1 3 346.523 2.159 10 0 EEAEHO Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCN1CC=CCC1 ZINC001707904727 1177620476 /nfs/dbraw/zinc/62/04/76/1177620476.db2.gz IVYNMCWHBFEMNN-UHFFFAOYSA-N 1 3 346.523 2.159 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCCc2ccccc2C)C1 ZINC001267024733 1178111396 /nfs/dbraw/zinc/11/13/96/1178111396.db2.gz PEVWOJAOFQJBSO-IBGZPJMESA-N 1 3 331.504 2.460 10 0 EEAEHO Cc1nc(C)c(CNCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)s1 ZINC001267474599 1179107628 /nfs/dbraw/zinc/10/76/28/1179107628.db2.gz VFBWDMZSOBESRZ-CHWSQXEVSA-N 1 3 338.521 2.181 10 0 EEAEHO Cc1ccc(CN2CCC[C@@H]2CNC(=O)C[NH+]2CCCC2)cc1F ZINC001481070202 1179679047 /nfs/dbraw/zinc/67/90/47/1179679047.db2.gz FNALFFFQCJVSGI-QGZVFWFLSA-N 1 3 333.451 2.311 10 0 EEAEHO Cc1oncc1C[NH2+]CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001267909668 1180746718 /nfs/dbraw/zinc/74/67/18/1180746718.db2.gz YABXIIZQHDGRLF-UHFFFAOYSA-N 1 3 348.491 2.186 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001481380092 1181163640 /nfs/dbraw/zinc/16/36/40/1181163640.db2.gz DPBQBMJOJZIEGM-BBWFWOEESA-N 1 3 325.472 2.142 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001481380092 1181163644 /nfs/dbraw/zinc/16/36/44/1181163644.db2.gz DPBQBMJOJZIEGM-BBWFWOEESA-N 1 3 325.472 2.142 10 0 EEAEHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001481462218 1181459215 /nfs/dbraw/zinc/45/92/15/1181459215.db2.gz RIQZTOYSKRVDPK-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC001481462218 1181459220 /nfs/dbraw/zinc/45/92/20/1181459220.db2.gz RIQZTOYSKRVDPK-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO COCC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CCCCC1 ZINC001268121838 1181768387 /nfs/dbraw/zinc/76/83/87/1181768387.db2.gz XUKXMRCGXAENQC-QGZVFWFLSA-N 1 3 339.524 2.162 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCC2C[NH+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC001481644290 1182043094 /nfs/dbraw/zinc/04/30/94/1182043094.db2.gz FMCYFAMKZROKSS-GOEBONIOSA-N 1 3 343.462 2.202 10 0 EEAEHO CN(C)c1cccc(CN2CC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001481708317 1182270092 /nfs/dbraw/zinc/27/00/92/1182270092.db2.gz ALBMZNHMYFRXMT-GOSISDBHSA-N 1 3 346.519 2.175 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)C1(N(C)C)CCC1 ZINC001268369199 1182356218 /nfs/dbraw/zinc/35/62/18/1182356218.db2.gz SLBOBJMINFJUJG-ZDUSSCGKSA-N 1 3 338.883 2.204 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001268413873 1182566346 /nfs/dbraw/zinc/56/63/46/1182566346.db2.gz IUWPUJNRSDCKAS-KXBFYZLASA-N 1 3 331.504 2.500 10 0 EEAEHO CCOCCC[NH+]1CCC2(CCN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001269714475 1184546370 /nfs/dbraw/zinc/54/63/70/1184546370.db2.gz XXHVMDBFNKXOTD-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1cccnc1C[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001269798815 1184627988 /nfs/dbraw/zinc/62/79/88/1184627988.db2.gz OPSNMWPMKDHZOA-SFHVURJKSA-N 1 3 346.519 2.449 10 0 EEAEHO C[NH+](C)CCCCC(=O)N1CCC[C@@H]1CNCc1cncc(F)c1 ZINC001270293478 1184993956 /nfs/dbraw/zinc/99/39/56/1184993956.db2.gz RPOGEIAADFLGDP-QGZVFWFLSA-N 1 3 336.455 2.033 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCc2ncccc2C)CC[N@@H+]1C ZINC001482288680 1185095417 /nfs/dbraw/zinc/09/54/17/1185095417.db2.gz OPZWRVWOJIYHAE-XYJFISCASA-N 1 3 332.492 2.057 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCc2ncccc2C)CC[N@H+]1C ZINC001482288680 1185095423 /nfs/dbraw/zinc/09/54/23/1185095423.db2.gz OPZWRVWOJIYHAE-XYJFISCASA-N 1 3 332.492 2.057 10 0 EEAEHO COCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001271102001 1185886881 /nfs/dbraw/zinc/88/68/81/1185886881.db2.gz ONXNSIUXMCEFPQ-MAUKXSAKSA-N 1 3 345.503 2.062 10 0 EEAEHO C[C@H](CC[NH2+]Cc1cccnc1)NC(=O)C(C)(C)N1CCCCC1 ZINC001272781763 1193495570 /nfs/dbraw/zinc/49/55/70/1193495570.db2.gz JFGDWFNAAKRKNH-MRXNPFEDSA-N 1 3 332.492 2.331 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cnc(C)s1 ZINC001482691454 1187665834 /nfs/dbraw/zinc/66/58/34/1187665834.db2.gz FMJMMQKZGFLECU-GDBMZVCRSA-N 1 3 338.521 2.168 10 0 EEAEHO C[C@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)CN1CC[C@H](C)C1 ZINC001482871544 1187791298 /nfs/dbraw/zinc/79/12/98/1187791298.db2.gz PEIKJPJQQJPDEO-UONOGXRCSA-N 1 3 339.430 2.291 10 0 EEAEHO CCN(CCNCc1cc(C)ns1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482929941 1187850980 /nfs/dbraw/zinc/85/09/80/1187850980.db2.gz LXOFDXJXIBPNCF-HNNXBMFYSA-N 1 3 338.521 2.264 10 0 EEAEHO CCN(CCNCc1cc(C)ns1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001482929941 1187850986 /nfs/dbraw/zinc/85/09/86/1187850986.db2.gz LXOFDXJXIBPNCF-HNNXBMFYSA-N 1 3 338.521 2.264 10 0 EEAEHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]CCCc1cccc(F)c1 ZINC001671384914 1187912099 /nfs/dbraw/zinc/91/20/99/1187912099.db2.gz PPQVTXHFOYRTAQ-LJQANCHMSA-N 1 3 347.478 2.435 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001483067151 1188399434 /nfs/dbraw/zinc/39/94/34/1188399434.db2.gz AVJKGHBEHAFLOP-GDIRUBCPSA-N 1 3 342.487 2.169 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001483067151 1188399437 /nfs/dbraw/zinc/39/94/37/1188399437.db2.gz AVJKGHBEHAFLOP-GDIRUBCPSA-N 1 3 342.487 2.169 10 0 EEAEHO CC(C)c1cccc(CNC[C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001483184938 1189051580 /nfs/dbraw/zinc/05/15/80/1189051580.db2.gz XMSKWZCUODGMHF-HZPDHXFCSA-N 1 3 332.492 2.141 10 0 EEAEHO CC(C)c1cccc(CNC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001483184938 1189051575 /nfs/dbraw/zinc/05/15/75/1189051575.db2.gz XMSKWZCUODGMHF-HZPDHXFCSA-N 1 3 332.492 2.141 10 0 EEAEHO COc1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C2CCC2)ccc1C ZINC001409382103 1189605142 /nfs/dbraw/zinc/60/51/42/1189605142.db2.gz PKCMJJRYCMOUIN-JKSUJKDBSA-N 1 3 347.503 2.471 10 0 EEAEHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@@H](C)[NH2+]CC1CCOCC1 ZINC001409398261 1189623537 /nfs/dbraw/zinc/62/35/37/1189623537.db2.gz MZGIJOTWHAZPQE-HZPDHXFCSA-N 1 3 339.524 2.160 10 0 EEAEHO Cc1cncc(CN[C@H](C)CN(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001485895161 1193632660 /nfs/dbraw/zinc/63/26/60/1193632660.db2.gz YBAXBLUJLIRPEK-MJGOQNOKSA-N 1 3 346.519 2.447 10 0 EEAEHO Cc1cncc(CN[C@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001485895161 1193632661 /nfs/dbraw/zinc/63/26/61/1193632661.db2.gz YBAXBLUJLIRPEK-MJGOQNOKSA-N 1 3 346.519 2.447 10 0 EEAEHO C[C@@H]1[C@@H](NCc2cccc(Cl)n2)CCN1C(=O)CCC[NH+](C)C ZINC001486084620 1193676956 /nfs/dbraw/zinc/67/69/56/1193676956.db2.gz KXOLSFYBMAYZCB-HIFRSBDPSA-N 1 3 338.883 2.156 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1cc(F)ccc1C)C1CC1)N(C)C ZINC001483599963 1190580070 /nfs/dbraw/zinc/58/00/70/1190580070.db2.gz AIGMAVHJZBUENB-ZWKOTPCHSA-N 1 3 335.467 2.459 10 0 EEAEHO CCCC[C@H](CNCc1scnc1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001409844034 1190676049 /nfs/dbraw/zinc/67/60/49/1190676049.db2.gz OGCCXJUFNNYIPU-LSDHHAIUSA-N 1 3 338.521 2.168 10 0 EEAEHO CCCC[C@H](CNCc1scnc1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001409844034 1190676052 /nfs/dbraw/zinc/67/60/52/1190676052.db2.gz OGCCXJUFNNYIPU-LSDHHAIUSA-N 1 3 338.521 2.168 10 0 EEAEHO Cc1ccc(OCC[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1 ZINC001483925134 1191118467 /nfs/dbraw/zinc/11/84/67/1191118467.db2.gz OIXXXWFYHDWSQB-HKUYNNGSSA-N 1 3 345.487 2.049 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccc(C)cc1 ZINC001483951874 1191129558 /nfs/dbraw/zinc/12/95/58/1191129558.db2.gz MSDGOUXVASJZHJ-LJQANCHMSA-N 1 3 331.504 2.460 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001484382851 1191322840 /nfs/dbraw/zinc/32/28/40/1191322840.db2.gz MOQRZCPSRGZVOI-RDJZCZTQSA-N 1 3 335.467 2.352 10 0 EEAEHO C[NH+](C)CCC(=O)N1CC[C@H](CCNCc2ccc(F)cc2F)C1 ZINC001484535827 1191403650 /nfs/dbraw/zinc/40/36/50/1191403650.db2.gz LIOBGJQBEDHKEQ-AWEZNQCLSA-N 1 3 339.430 2.245 10 0 EEAEHO COCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001484726771 1191486359 /nfs/dbraw/zinc/48/63/59/1191486359.db2.gz RFXCMGUIVIZIGF-QZTJIDSGSA-N 1 3 339.524 2.257 10 0 EEAEHO COCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001484726771 1191486360 /nfs/dbraw/zinc/48/63/60/1191486360.db2.gz RFXCMGUIVIZIGF-QZTJIDSGSA-N 1 3 339.524 2.257 10 0 EEAEHO CN(CCC[N@H+](C)C[C@@H]1CCC(F)(F)C1)C(=O)CN1CCCC1 ZINC001484768292 1191522405 /nfs/dbraw/zinc/52/24/05/1191522405.db2.gz KFMOMNCUWHDPBU-OAHLLOKOSA-N 1 3 331.451 2.298 10 0 EEAEHO CN(CCC[N@@H+](C)C[C@@H]1CCC(F)(F)C1)C(=O)CN1CCCC1 ZINC001484768292 1191522406 /nfs/dbraw/zinc/52/24/06/1191522406.db2.gz KFMOMNCUWHDPBU-OAHLLOKOSA-N 1 3 331.451 2.298 10 0 EEAEHO Cc1oncc1C[NH2+]C1CCC(N(C)C(=O)CN(C)C(C)C)CC1 ZINC001485243168 1191707083 /nfs/dbraw/zinc/70/70/83/1191707083.db2.gz HUQYDDCOAKMDAY-UHFFFAOYSA-N 1 3 336.480 2.182 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC[C@@H]1CCCCO1)C(C)(C)C ZINC001486423022 1193937164 /nfs/dbraw/zinc/93/71/64/1193937164.db2.gz DTYRQPOZTGTPQZ-IRXDYDNUSA-N 1 3 341.540 2.406 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]C[C@H]1CCCCO1)C(C)(C)C ZINC001486425382 1193939480 /nfs/dbraw/zinc/93/94/80/1193939480.db2.gz ZGLKQGDWSUWKSD-HZPDHXFCSA-N 1 3 327.513 2.016 10 0 EEAEHO Cc1cncc(CN2CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001486448736 1193963041 /nfs/dbraw/zinc/96/30/41/1193963041.db2.gz ZTIPNQVXQUERQX-KRWDZBQOSA-N 1 3 346.519 2.449 10 0 EEAEHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CCCc2cccc(F)c2)C1 ZINC001486474509 1193988193 /nfs/dbraw/zinc/98/81/93/1193988193.db2.gz FMHMMUTWUVKPIJ-CTWPCTMYSA-N 1 3 347.478 2.432 10 0 EEAEHO C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2CN(Cc3cccc(Cl)c3)C[C@H]21 ZINC001410111591 1197553436 /nfs/dbraw/zinc/55/34/36/1197553436.db2.gz COWJOVNWNCETAP-OSYLJGHBSA-N 1 3 335.879 2.086 10 0 EEAEHO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccco2)(N2CCCCC2)CC1 ZINC000863888164 1197908184 /nfs/dbraw/zinc/90/81/84/1197908184.db2.gz JAGUNZMJILCPGI-IAGOWNOFSA-N 1 3 345.487 2.450 10 0 EEAEHO CN1CCC(NC(=S)NC[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000865265105 1198147058 /nfs/dbraw/zinc/14/70/58/1198147058.db2.gz FPGWCEYHBDDIJO-QGZVFWFLSA-N 1 3 338.565 2.342 10 0 EEAEHO CN1CCC(NC(=S)NC[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000865265105 1198147065 /nfs/dbraw/zinc/14/70/65/1198147065.db2.gz FPGWCEYHBDDIJO-QGZVFWFLSA-N 1 3 338.565 2.342 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)c(C)c2)CC1 ZINC000870859336 1200916478 /nfs/dbraw/zinc/91/64/78/1200916478.db2.gz GKSWDLLBGAFXQY-GUXCAODWSA-N 1 3 342.487 2.203 10 0 EEAEHO C[C@@H](NCc1cccc(Cl)n1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001275480082 1205378723 /nfs/dbraw/zinc/37/87/23/1205378723.db2.gz FRGOGWTYNJQYGO-OLZOCXBDSA-N 1 3 338.883 2.060 10 0 EEAEHO COc1ccc([C@@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1OC ZINC000925859454 1206162100 /nfs/dbraw/zinc/16/21/00/1206162100.db2.gz YNOHXTSWFYVCLT-HIFRSBDPSA-N 1 3 348.443 2.040 10 0 EEAEHO C[C@@H](C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)N1[C@H](C)CC[C@@H]1C ZINC000928837888 1206426347 /nfs/dbraw/zinc/42/63/47/1206426347.db2.gz WZBDQZMGYQUHNF-DFGXFYAUSA-N 1 3 332.492 2.452 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001490842514 1208465050 /nfs/dbraw/zinc/46/50/50/1208465050.db2.gz SULCIYGJHLJVTD-VRNRZNANSA-N 1 3 331.863 2.142 10 0 EEAEHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCCC[C@H](C2CCOCC2)C1 ZINC000903948565 1242665310 /nfs/dbraw/zinc/66/53/10/1242665310.db2.gz RGFWTEKWISIZHZ-ROUUACIJSA-N 1 3 347.507 2.231 10 0 EEAEHO Cc1ncsc1C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001491190030 1258755718 /nfs/dbraw/zinc/75/57/18/1258755718.db2.gz HHRBFUCNWIIMPV-HNNXBMFYSA-N 1 3 338.521 2.120 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001267893784 1276787352 /nfs/dbraw/zinc/78/73/52/1276787352.db2.gz QTGJARLLGRTPJG-GFCCVEGCSA-N 1 3 332.370 2.123 10 0 EEAEHO CCN(CCNCc1cn(C(C)C)nc1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001273709990 1283829393 /nfs/dbraw/zinc/82/93/93/1283829393.db2.gz FLZDSPTYRVBVRW-KRWDZBQOSA-N 1 3 349.523 2.052 10 0 EEAEHO CCN(CCNCc1cn(C(C)C)nc1C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001273709990 1283829403 /nfs/dbraw/zinc/82/94/03/1283829403.db2.gz FLZDSPTYRVBVRW-KRWDZBQOSA-N 1 3 349.523 2.052 10 0 EEAEHO CCN(CCNCc1c(C)nsc1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001273710524 1283847358 /nfs/dbraw/zinc/84/73/58/1283847358.db2.gz XXAFEPUWBHHZCP-HNNXBMFYSA-N 1 3 338.521 2.040 10 0 EEAEHO CCN(CCNCc1c(C)nsc1C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001273710524 1283847364 /nfs/dbraw/zinc/84/73/64/1283847364.db2.gz XXAFEPUWBHHZCP-HNNXBMFYSA-N 1 3 338.521 2.040 10 0 EEAEHO Cc1noc(C)c1CN[C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001490309115 1291180496 /nfs/dbraw/zinc/18/04/96/1291180496.db2.gz YBAVEAWQXAEVLZ-RHSMWYFYSA-N 1 3 336.480 2.102 10 0 EEAEHO CC[N@H+](CCCNC(=O)C(C)(C)N1CCCCC1)C[C@@H]1CCOC1 ZINC001490325746 1291217395 /nfs/dbraw/zinc/21/73/95/1291217395.db2.gz WTGGVIYKWJIDBY-KRWDZBQOSA-N 1 3 339.524 2.116 10 0 EEAEHO CC[N@@H+](CCCNC(=O)C(C)(C)N1CCCCC1)C[C@@H]1CCOC1 ZINC001490325746 1291217401 /nfs/dbraw/zinc/21/74/01/1291217401.db2.gz WTGGVIYKWJIDBY-KRWDZBQOSA-N 1 3 339.524 2.116 10 0 EEAEHO Cc1nc(Cl)ccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346299 1293183269 /nfs/dbraw/zinc/18/32/69/1293183269.db2.gz VQJCQRVTBYQEIH-LBPRGKRZSA-N 1 3 326.872 2.045 10 0 EEAEHO Cc1nc(Cl)ccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346299 1293183273 /nfs/dbraw/zinc/18/32/73/1293183273.db2.gz VQJCQRVTBYQEIH-LBPRGKRZSA-N 1 3 326.872 2.045 10 0 EEAEHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001277092512 1301235986 /nfs/dbraw/zinc/23/59/86/1301235986.db2.gz FMCSEVISIQSSBK-YXSUXZIUSA-N 1 3 335.414 2.296 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CCOc2ccccc2)C1)N(C)C ZINC001278549997 1317209465 /nfs/dbraw/zinc/20/94/65/1317209465.db2.gz IYCYGHZQNMYAJX-ICSRJNTNSA-N 1 3 347.503 2.234 10 0 EEAEHO CC(C)OCC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001264421864 1322697054 /nfs/dbraw/zinc/69/70/54/1322697054.db2.gz WGSMFRJPZATOHQ-QAQDUYKDSA-N 1 3 339.524 2.160 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCCN(C)Cc2ncccc2C)C1 ZINC001265026208 1322869289 /nfs/dbraw/zinc/86/92/89/1322869289.db2.gz XJHOSTIQCZMCHG-GOSISDBHSA-N 1 3 346.519 2.450 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)NCCCN(C)Cc2ncccc2C)C1 ZINC001265026208 1322869293 /nfs/dbraw/zinc/86/92/93/1322869293.db2.gz XJHOSTIQCZMCHG-GOSISDBHSA-N 1 3 346.519 2.450 10 0 EEAEHO CCc1cccc(OCC[NH2+][C@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)c1 ZINC001265914598 1323482998 /nfs/dbraw/zinc/48/29/98/1323482998.db2.gz SGNIPBIZEICVFA-PKOBYXMFSA-N 1 3 347.503 2.159 10 0 EEAEHO CN(CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CCC(F)(F)F ZINC001265954393 1323516798 /nfs/dbraw/zinc/51/67/98/1323516798.db2.gz POUPUMNZPFLWKZ-ZIAGYGMSSA-N 1 3 337.430 2.497 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001279184170 1323847310 /nfs/dbraw/zinc/84/73/10/1323847310.db2.gz UYYGNMYAIPLFFX-HKUYNNGSSA-N 1 3 331.504 2.255 10 0 EEAEHO Cc1cc(CNCC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)on1 ZINC001280083042 1324078168 /nfs/dbraw/zinc/07/81/68/1324078168.db2.gz GWBQUBPSPTXKSB-SJORKVTESA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1cc(CNCC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)on1 ZINC001280083042 1324078174 /nfs/dbraw/zinc/07/81/74/1324078174.db2.gz GWBQUBPSPTXKSB-SJORKVTESA-N 1 3 348.491 2.186 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NCc1ccnc(Cl)c1)[NH+](C)C ZINC001283704819 1326210629 /nfs/dbraw/zinc/21/06/29/1326210629.db2.gz PGHZDVGGYQXDRR-CJNGLKHVSA-N 1 3 340.899 2.258 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001491650831 1330198777 /nfs/dbraw/zinc/19/87/77/1330198777.db2.gz SQJMMGOZIYQJNA-SJKOYZFVSA-N 1 3 339.430 2.388 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccnc1 ZINC001492092413 1330999502 /nfs/dbraw/zinc/99/95/02/1330999502.db2.gz PWZXBLAQAVISQC-SJLPKXTDSA-N 1 3 332.492 2.329 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC001492165648 1331030554 /nfs/dbraw/zinc/03/05/54/1331030554.db2.gz ZCTZNIWJUIQGDX-IEBWSBKVSA-N 1 3 344.503 2.284 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC001492165648 1331030559 /nfs/dbraw/zinc/03/05/59/1331030559.db2.gz ZCTZNIWJUIQGDX-IEBWSBKVSA-N 1 3 344.503 2.284 10 0 EEAEHO Cc1ncc(CNC[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C2)o1 ZINC001317354592 1332191735 /nfs/dbraw/zinc/19/17/35/1332191735.db2.gz JKBBREMUOLFKCA-KRWDZBQOSA-N 1 3 348.491 2.187 10 0 EEAEHO Cc1ncsc1CNCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001317653395 1332351199 /nfs/dbraw/zinc/35/11/99/1332351199.db2.gz FXAIQZDXUDVTHM-HUUCEWRRSA-N 1 3 338.521 2.120 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]C[C@@H](OC)c1ccccc1 ZINC001317663516 1332357861 /nfs/dbraw/zinc/35/78/61/1332357861.db2.gz GQLIAXORMRHMTQ-RTBURBONSA-N 1 3 347.503 2.297 10 0 EEAEHO CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CCOC2CCC2)CC1)N(C)C ZINC001317677556 1332366160 /nfs/dbraw/zinc/36/61/60/1332366160.db2.gz BNLVFXUHQIBULI-YJBOKZPZSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCNCc1nccs1 ZINC001320565275 1332911876 /nfs/dbraw/zinc/91/18/76/1332911876.db2.gz XYBJUAHBIWZFQF-HUUCEWRRSA-N 1 3 338.521 2.390 10 0 EEAEHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCNCc1nccs1 ZINC001320565275 1332911877 /nfs/dbraw/zinc/91/18/77/1332911877.db2.gz XYBJUAHBIWZFQF-HUUCEWRRSA-N 1 3 338.521 2.390 10 0 EEAEHO CCc1cccc(C[NH2+]C/C=C/CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001321248616 1333054490 /nfs/dbraw/zinc/05/44/90/1333054490.db2.gz CFQUYIGMRLFKKA-BDUNBXCCSA-N 1 3 329.488 2.353 10 0 EEAEHO Cc1cc(CNCC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)on1 ZINC001326351908 1334075143 /nfs/dbraw/zinc/07/51/43/1334075143.db2.gz XHQDOIBOLALZBR-BBWFWOEESA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1cc(CNCC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)on1 ZINC001326351908 1334075147 /nfs/dbraw/zinc/07/51/47/1334075147.db2.gz XHQDOIBOLALZBR-BBWFWOEESA-N 1 3 348.491 2.042 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]C/C=C/Cl)C1 ZINC001328928110 1334549641 /nfs/dbraw/zinc/54/96/41/1334549641.db2.gz NGKINZPTIYFREA-KDSCCMBASA-N 1 3 327.900 2.486 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCNCc2ocnc2C)CC[N@@H+]1C ZINC001330824189 1334910253 /nfs/dbraw/zinc/91/02/53/1334910253.db2.gz XLDKVSBYMOWGPJ-VNQPRFMTSA-N 1 3 336.480 2.088 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCNCc2ocnc2C)CC[N@H+]1C ZINC001330824189 1334910256 /nfs/dbraw/zinc/91/02/56/1334910256.db2.gz XLDKVSBYMOWGPJ-VNQPRFMTSA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1cc(CN[C@@H]2C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)sn1 ZINC001332047714 1335713153 /nfs/dbraw/zinc/71/31/53/1335713153.db2.gz JGHAOFWARFNNJJ-HUUCEWRRSA-N 1 3 338.521 2.262 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001436364108 1342053770 /nfs/dbraw/zinc/05/37/70/1342053770.db2.gz IEMSQMVRPOTWRP-MAEOIBBWSA-N 1 3 342.487 2.494 10 0 EEAEHO CC(C)=CC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CCO1 ZINC001673342827 1356670422 /nfs/dbraw/zinc/67/04/22/1356670422.db2.gz RGDUCMSCQAJYCR-IBGZPJMESA-N 1 3 345.487 2.145 10 0 EEAEHO CC[C@@H](F)CN1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001566053322 1342535604 /nfs/dbraw/zinc/53/56/04/1342535604.db2.gz YXJHSRDAFPVKKA-IXDOHACOSA-N 1 3 327.488 2.247 10 0 EEAEHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(Cl)nc1)C1CC1)N(C)C ZINC001566724222 1342614075 /nfs/dbraw/zinc/61/40/75/1342614075.db2.gz DYEBWJRHINULCF-CABCVRRESA-N 1 3 338.883 2.060 10 0 EEAEHO CCN(CC[NH2+]CC[C@@H](C)F)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001568775845 1342854096 /nfs/dbraw/zinc/85/40/96/1342854096.db2.gz NQTAUGNWJSWQDT-RHSMWYFYSA-N 1 3 333.467 2.385 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCOc2ccc(C)cc2)C[C@H]1C ZINC001676775859 1357198210 /nfs/dbraw/zinc/19/82/10/1357198210.db2.gz 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CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1)N(C)C ZINC001661496065 1354645934 /nfs/dbraw/zinc/64/59/34/1354645934.db2.gz MGBZKBBIMIYNTO-FDYHWXHSSA-N 1 3 336.307 2.147 10 0 EEAEHO Cc1cccnc1CN[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001662582175 1354807942 /nfs/dbraw/zinc/80/79/42/1354807942.db2.gz UORZDXOOHQNHKD-SFHVURJKSA-N 1 3 344.503 2.347 10 0 EEAEHO Cc1ccncc1CN1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001663634383 1355006266 /nfs/dbraw/zinc/00/62/66/1355006266.db2.gz SCKBCHHBDRJVRI-QGZVFWFLSA-N 1 3 332.492 2.060 10 0 EEAEHO Cc1ccncc1C[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001666172390 1355475002 /nfs/dbraw/zinc/47/50/02/1355475002.db2.gz GZYFMSJAZSKBMU-SFHVURJKSA-N 1 3 346.519 2.449 10 0 EEAEHO CCN(CCNCc1cncc(F)c1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001668464282 1355946595 /nfs/dbraw/zinc/94/65/95/1355946595.db2.gz JWUBGPMWVXMKCQ-UHFFFAOYSA-N 1 3 348.466 2.035 10 0 EEAEHO Cc1oncc1CNCC[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001672874380 1356603690 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EEAEHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccccc1OCCN(C)C ZINC000065675181 462817943 /nfs/dbraw/zinc/81/79/43/462817943.db2.gz BOULVVXUZYRUSP-IRXDYDNUSA-N 1 3 347.503 2.477 10 0 EEAEHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccccc1OCCN(C)C ZINC000065675181 462817946 /nfs/dbraw/zinc/81/79/46/462817946.db2.gz BOULVVXUZYRUSP-IRXDYDNUSA-N 1 3 347.503 2.477 10 0 EEAEHO CN(C)[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000170834308 463718307 /nfs/dbraw/zinc/71/83/07/463718307.db2.gz DJGLNTBPSDQCRT-IBGZPJMESA-N 1 3 344.503 2.244 10 0 EEAEHO CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCCN1C)c1ccccc1 ZINC000195122340 463995241 /nfs/dbraw/zinc/99/52/41/463995241.db2.gz JPKRCCZVNYCBFO-ZWKOTPCHSA-N 1 3 332.492 2.463 10 0 EEAEHO CCc1cc(N2CCN(CCC(=O)N(C)C)CC2)c2ccccc2[nH+]1 ZINC000269719515 464068877 /nfs/dbraw/zinc/06/88/77/464068877.db2.gz BOARQEIEUQPKKD-UHFFFAOYSA-N 1 3 340.471 2.398 10 0 EEAEHO C[C@@H]1CCC[C@@](CNC(=O)N2CC[C@H](N3CC=CC3)C2)([NH+](C)C)C1 ZINC000174230117 464380206 /nfs/dbraw/zinc/38/02/06/464380206.db2.gz DJFBTMCMQZCFQN-ZIFCJYIRSA-N 1 3 334.508 2.153 10 0 EEAEHO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CCN(C)Cc1ccc(F)cc1 ZINC000189415613 464497887 /nfs/dbraw/zinc/49/78/87/464497887.db2.gz TWYXNAVQVLNPAG-MRXNPFEDSA-N 1 3 337.483 2.035 10 0 EEAEHO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CCN(C)Cc1ccc(F)cc1 ZINC000189415613 464497893 /nfs/dbraw/zinc/49/78/93/464497893.db2.gz TWYXNAVQVLNPAG-MRXNPFEDSA-N 1 3 337.483 2.035 10 0 EEAEHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245634051 464500678 /nfs/dbraw/zinc/50/06/78/464500678.db2.gz IVOSDGAPYGIEKB-JQHSSLGASA-N 1 3 332.492 2.461 10 0 EEAEHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245634051 464500682 /nfs/dbraw/zinc/50/06/82/464500682.db2.gz IVOSDGAPYGIEKB-JQHSSLGASA-N 1 3 332.492 2.461 10 0 EEAEHO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245678176 464505252 /nfs/dbraw/zinc/50/52/52/464505252.db2.gz UOUWJQSNVVSJHX-QRQLOZEOSA-N 1 3 344.503 2.463 10 0 EEAEHO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245678176 464505256 /nfs/dbraw/zinc/50/52/56/464505256.db2.gz UOUWJQSNVVSJHX-QRQLOZEOSA-N 1 3 344.503 2.463 10 0 EEAEHO Cn1cc([C@@H](O)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000272419455 464602207 /nfs/dbraw/zinc/60/22/07/464602207.db2.gz NDXDZGZXPBCRJZ-YRPNKDGESA-N 1 3 340.471 2.239 10 0 EEAEHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000246576086 464602673 /nfs/dbraw/zinc/60/26/73/464602673.db2.gz RVLZYYNPUGYZEO-FPAYPSAMSA-N 1 3 348.535 2.373 10 0 EEAEHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000246576086 464602681 /nfs/dbraw/zinc/60/26/81/464602681.db2.gz RVLZYYNPUGYZEO-FPAYPSAMSA-N 1 3 348.535 2.373 10 0 EEAEHO C[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1ccc(OCCN(C)C)cc1 ZINC000348224937 465498324 /nfs/dbraw/zinc/49/83/24/465498324.db2.gz ZRIZBUOALRVOFC-QFBILLFUSA-N 1 3 343.471 2.449 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000362469891 465765528 /nfs/dbraw/zinc/76/55/28/465765528.db2.gz DATKAAFXRSXZEA-XMTFNYHQSA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000362469891 465765530 /nfs/dbraw/zinc/76/55/30/465765530.db2.gz DATKAAFXRSXZEA-XMTFNYHQSA-N 1 3 336.524 2.375 10 0 EEAEHO CN1CCN(C)[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000347305699 466550487 /nfs/dbraw/zinc/55/04/87/466550487.db2.gz FTLBBOSXKROZDM-OTYNDTSQSA-N 1 3 342.531 2.017 10 0 EEAEHO CN1CCN(C)[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000347305699 466550488 /nfs/dbraw/zinc/55/04/88/466550488.db2.gz FTLBBOSXKROZDM-OTYNDTSQSA-N 1 3 342.531 2.017 10 0 EEAEHO CN1CCN(C)[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000347305699 466550489 /nfs/dbraw/zinc/55/04/89/466550489.db2.gz FTLBBOSXKROZDM-OTYNDTSQSA-N 1 3 342.531 2.017 10 0 EEAEHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000369998382 466762980 /nfs/dbraw/zinc/76/29/80/466762980.db2.gz RPZZIZUZXBQTMH-KRWDZBQOSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCN3CCC2CC3)C1 ZINC000377104660 467028986 /nfs/dbraw/zinc/02/89/86/467028986.db2.gz KSDXXIWPZWHFQR-HZPDHXFCSA-N 1 3 336.524 2.233 10 0 EEAEHO C[NH2+][C@@H]1CCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000418050177 467034253 /nfs/dbraw/zinc/03/42/53/467034253.db2.gz ZZJHNOJNGHJYTR-IEBWSBKVSA-N 1 3 330.476 2.044 10 0 EEAEHO C[C@H](NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H](c1ccccc1)N(C)C ZINC000418176418 467066651 /nfs/dbraw/zinc/06/66/51/467066651.db2.gz GXMKYAGIYARMFZ-QRFRQXIXSA-N 1 3 344.503 2.463 10 0 EEAEHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418234428 467081506 /nfs/dbraw/zinc/08/15/06/467081506.db2.gz ITUJCZHEBIZMQN-HKUYNNGSSA-N 1 3 336.524 2.282 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000418584991 467131992 /nfs/dbraw/zinc/13/19/92/467131992.db2.gz YAEYMWDNUBSBNM-ZHALLVOQSA-N 1 3 344.503 2.148 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]CCC2CC(O)C2)CC1 ZINC000432357555 467233869 /nfs/dbraw/zinc/23/38/69/467233869.db2.gz HZRLISJGTUXAMD-UHFFFAOYSA-N 1 3 331.504 2.469 10 0 EEAEHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCCN2CCO)cc1 ZINC000452378848 467365855 /nfs/dbraw/zinc/36/58/55/467365855.db2.gz PRIKWHYBIXKBDM-LJQANCHMSA-N 1 3 347.503 2.105 10 0 EEAEHO CC[NH+](CC)CCOc1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC000578546576 468216881 /nfs/dbraw/zinc/21/68/81/468216881.db2.gz IMAOTQUDEXENRM-QGZVFWFLSA-N 1 3 347.503 2.365 10 0 EEAEHO C[NH+]1CCC2(CC1)CN(CCCCC(=O)OC(C)(C)C)CCO2 ZINC000592184752 468648706 /nfs/dbraw/zinc/64/87/06/468648706.db2.gz PAQXGIIKAZDCHC-UHFFFAOYSA-N 1 3 326.481 2.295 10 0 EEAEHO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000594939820 468727056 /nfs/dbraw/zinc/72/70/56/468727056.db2.gz FMDXDTYCOQKKIS-MDASCCDHSA-N 1 3 346.471 2.447 10 0 EEAEHO C[NH2+]Cc1ccccc1CNCc1ccc(OCC(=O)OC)cc1 ZINC000593318903 468937528 /nfs/dbraw/zinc/93/75/28/468937528.db2.gz SAFPOGFOQQZGAB-UHFFFAOYSA-N 1 3 328.412 2.248 10 0 EEAEHO C[NH2+]CCOCCN[C@H]1CCCOc2c(Br)cccc21 ZINC000629529583 469572929 /nfs/dbraw/zinc/57/29/29/469572929.db2.gz HPKAXIXGONSAIO-AWEZNQCLSA-N 1 3 343.265 2.488 10 0 EEAEHO COc1ccc(C[NH2+]CCCCN2CCN(C)CC2)cc1OC1CC1 ZINC000623356949 469633985 /nfs/dbraw/zinc/63/39/85/469633985.db2.gz PYEBDXSXFPZQTQ-UHFFFAOYSA-N 1 3 347.503 2.354 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1OCc2ccccc21 ZINC000617502503 469699051 /nfs/dbraw/zinc/69/90/51/469699051.db2.gz RRULIAYSEAOKEX-MAUKXSAKSA-N 1 3 333.476 2.036 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1OCc2ccccc21 ZINC000617502503 469699055 /nfs/dbraw/zinc/69/90/55/469699055.db2.gz RRULIAYSEAOKEX-MAUKXSAKSA-N 1 3 333.476 2.036 10 0 EEAEHO Cc1ccc2cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[nH]c2c1 ZINC000617504278 469700605 /nfs/dbraw/zinc/70/06/05/469700605.db2.gz NTTNNENFHVCXLI-HNNXBMFYSA-N 1 3 330.476 2.478 10 0 EEAEHO Cc1ccc2cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[nH]c2c1 ZINC000617504278 469700608 /nfs/dbraw/zinc/70/06/08/469700608.db2.gz NTTNNENFHVCXLI-HNNXBMFYSA-N 1 3 330.476 2.478 10 0 EEAEHO Cc1cc(F)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(F)c1 ZINC000617503279 469701493 /nfs/dbraw/zinc/70/14/93/469701493.db2.gz CLKMOJOIICQBQF-ZDUSSCGKSA-N 1 3 327.419 2.275 10 0 EEAEHO Cc1cc(F)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(F)c1 ZINC000617503279 469701498 /nfs/dbraw/zinc/70/14/98/469701498.db2.gz CLKMOJOIICQBQF-ZDUSSCGKSA-N 1 3 327.419 2.275 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000626940192 469763309 /nfs/dbraw/zinc/76/33/09/469763309.db2.gz UTJVZXZIFIWZBP-FGTMMUONSA-N 1 3 330.476 2.091 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000627082387 469808860 /nfs/dbraw/zinc/80/88/60/469808860.db2.gz DEUNFUHOVJGHEY-RCCFBDPRSA-N 1 3 326.444 2.279 10 0 EEAEHO CN(CCC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccncc1 ZINC000621107573 469989852 /nfs/dbraw/zinc/98/98/52/469989852.db2.gz IRCSEGFZVFDOPC-QGZVFWFLSA-N 1 3 330.476 2.146 10 0 EEAEHO CN(CCC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccncc1 ZINC000621107573 469989854 /nfs/dbraw/zinc/98/98/54/469989854.db2.gz IRCSEGFZVFDOPC-QGZVFWFLSA-N 1 3 330.476 2.146 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC[N@@H+]1C ZINC000648886282 470382528 /nfs/dbraw/zinc/38/25/28/470382528.db2.gz HRTVCNRSNVEEHR-GALLPEHLSA-N 1 3 347.425 2.248 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC[N@H+]1C ZINC000648886282 470382531 /nfs/dbraw/zinc/38/25/31/470382531.db2.gz HRTVCNRSNVEEHR-GALLPEHLSA-N 1 3 347.425 2.248 10 0 EEAEHO C[C@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2n(n1)CCCC2 ZINC000647288500 470877077 /nfs/dbraw/zinc/87/70/77/470877077.db2.gz FPOCYKMGUSZJOW-HOTGVXAUSA-N 1 3 331.508 2.039 10 0 EEAEHO C[C@H](N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1cc2n(n1)CCCC2 ZINC000647288500 470877082 /nfs/dbraw/zinc/87/70/82/470877082.db2.gz FPOCYKMGUSZJOW-HOTGVXAUSA-N 1 3 331.508 2.039 10 0 EEAEHO C[C@H](N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1cc2n(n1)CCCC2 ZINC000647288500 470877086 /nfs/dbraw/zinc/87/70/86/470877086.db2.gz FPOCYKMGUSZJOW-HOTGVXAUSA-N 1 3 331.508 2.039 10 0 EEAEHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000654560963 471071879 /nfs/dbraw/zinc/07/18/79/471071879.db2.gz XSMYJHZCCFHMSU-CAOSSQGBSA-N 1 3 336.480 2.348 10 0 EEAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCCNC2=O)CC1 ZINC000657276327 471082366 /nfs/dbraw/zinc/08/23/66/471082366.db2.gz AUYLHZIUOJBBFZ-FUHWJXTLSA-N 1 3 329.488 2.198 10 0 EEAEHO C[C@@H]1C[C@@H](NC[C@@H]2CN(C)CCN2Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000657801899 471236024 /nfs/dbraw/zinc/23/60/24/471236024.db2.gz VGSQPJBSGQAESN-YFVAEKQCSA-N 1 3 342.531 2.017 10 0 EEAEHO C[C@@H]1C[C@@H](NC[C@@H]2CN(C)CCN2Cc2ccccc2)C[N@H+]1C1CC1 ZINC000657801899 471236026 /nfs/dbraw/zinc/23/60/26/471236026.db2.gz VGSQPJBSGQAESN-YFVAEKQCSA-N 1 3 342.531 2.017 10 0 EEAEHO CN(C(=O)[C@@H]1C[C@]12CCC[NH2+]C2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000655467012 471338454 /nfs/dbraw/zinc/33/84/54/471338454.db2.gz CBTKCPGKHOCAHR-HBFSDRIKSA-N 1 3 327.472 2.109 10 0 EEAEHO C[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccccc1 ZINC000663456800 471388078 /nfs/dbraw/zinc/38/80/78/471388078.db2.gz CXBRTUGQWWGGPJ-IRXDYDNUSA-N 1 3 334.508 2.361 10 0 EEAEHO C[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccccc1 ZINC000663456800 471388081 /nfs/dbraw/zinc/38/80/81/471388081.db2.gz CXBRTUGQWWGGPJ-IRXDYDNUSA-N 1 3 334.508 2.361 10 0 EEAEHO Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2NCc2nc3c(s2)CNCC3)c1 ZINC000663495668 471399884 /nfs/dbraw/zinc/39/98/84/471399884.db2.gz ANWLBDQANDCHMN-HOCLYGCPSA-N 1 3 346.475 2.163 10 0 EEAEHO CCN(C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000663784850 471517492 /nfs/dbraw/zinc/51/74/92/471517492.db2.gz XGLNZGYELAKEST-ZACQAIPSSA-N 1 3 338.540 2.479 10 0 EEAEHO C[NH+](C)CC1CCC(NC(=O)NCc2ccc3c(c2)CNC3)CC1 ZINC000669540726 471541892 /nfs/dbraw/zinc/54/18/92/471541892.db2.gz KUQFWYCMBIKJPK-UHFFFAOYSA-N 1 3 330.476 2.209 10 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/nfs/dbraw/zinc/94/21/18/471942118.db2.gz LBHPFRVACJOUMX-FPAYPSAMSA-N 1 3 344.503 2.461 10 0 EEAEHO CC(C)CCOCCN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336786 472076699 /nfs/dbraw/zinc/07/66/99/472076699.db2.gz GQHYPBRMHUGCFM-QGZVFWFLSA-N 1 3 349.523 2.061 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCc2ccccc2C1 ZINC000665757331 472173657 /nfs/dbraw/zinc/17/36/57/472173657.db2.gz FVVXUWCWMAUULZ-KRWDZBQOSA-N 1 3 346.519 2.416 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCc2ccccc2C1 ZINC000665757331 472173665 /nfs/dbraw/zinc/17/36/65/472173665.db2.gz FVVXUWCWMAUULZ-KRWDZBQOSA-N 1 3 346.519 2.416 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C(C)(C)C)C1 ZINC000665761159 472174654 /nfs/dbraw/zinc/17/46/54/472174654.db2.gz ZAXWDQUGSTYDEB-JKSUJKDBSA-N 1 3 326.529 2.336 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C(C)(C)C)C1 ZINC000665761159 472174657 /nfs/dbraw/zinc/17/46/57/472174657.db2.gz ZAXWDQUGSTYDEB-JKSUJKDBSA-N 1 3 326.529 2.336 10 0 EEAEHO 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Cc1ccc(CNCCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)cc1F ZINC001691321525 1177908761 /nfs/dbraw/zinc/90/87/61/1177908761.db2.gz ARSVIWRIXAYNBR-QGZVFWFLSA-N 1 3 333.451 2.024 10 0 EEAEHO CC[C@@H](C(=O)N(C)CC[NH2+]CCc1ccccc1Cl)N(C)C ZINC001481303838 1180969730 /nfs/dbraw/zinc/96/97/30/1180969730.db2.gz CJGGIRTXUYBGGF-INIZCTEOSA-N 1 3 325.884 2.271 10 0 EEAEHO Cc1ncoc1CN1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001481434530 1181331210 /nfs/dbraw/zinc/33/12/10/1181331210.db2.gz AUKLGEGXJKMWSA-SJORKVTESA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncoc1CN1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001481434530 1181331218 /nfs/dbraw/zinc/33/12/18/1181331218.db2.gz AUKLGEGXJKMWSA-SJORKVTESA-N 1 3 348.491 2.186 10 0 EEAEHO C[C@H](CNCc1ccnc(Cl)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268063219 1181649889 /nfs/dbraw/zinc/64/98/89/1181649889.db2.gz JHUDSEJYWXNMBX-UMVBOHGHSA-N 1 3 338.883 2.012 10 0 EEAEHO C[C@H](CNCc1ccnc(Cl)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268063219 1181649896 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C[C@@H](CNCc1ccnc(Cl)c1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482353848 1185490697 /nfs/dbraw/zinc/49/06/97/1185490697.db2.gz LTIHFVSQFFFMAG-ZFWWWQNUSA-N 1 3 338.883 2.013 10 0 EEAEHO C[C@@H](CNCc1ccnc(Cl)c1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482353848 1185490702 /nfs/dbraw/zinc/49/07/02/1185490702.db2.gz LTIHFVSQFFFMAG-ZFWWWQNUSA-N 1 3 338.883 2.013 10 0 EEAEHO C[C@@H]([NH2+]CCCF)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001482479877 1186056333 /nfs/dbraw/zinc/05/63/33/1186056333.db2.gz KXLCEYVBVTXGGH-IAGOWNOFSA-N 1 3 327.488 2.295 10 0 EEAEHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNCC=C(Cl)Cl ZINC001271738258 1186446210 /nfs/dbraw/zinc/44/62/10/1186446210.db2.gz GHFNLYYYNUKWOZ-QWHCGFSZSA-N 1 3 336.307 2.474 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)CCc2ccccc2F)CC[N@@H+]1C ZINC001482596622 1187297971 /nfs/dbraw/zinc/29/79/71/1187297971.db2.gz AGMATNNKVNDPHW-PKOBYXMFSA-N 1 3 349.494 2.489 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)CCc2ccccc2F)CC[N@H+]1C ZINC001482596622 1187297973 /nfs/dbraw/zinc/29/79/73/1187297973.db2.gz AGMATNNKVNDPHW-PKOBYXMFSA-N 1 3 349.494 2.489 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1CCOCC1 ZINC001482832077 1187752350 /nfs/dbraw/zinc/75/23/50/1187752350.db2.gz UCERKFIJTDSICB-WMZOPIPTSA-N 1 3 339.524 2.160 10 0 EEAEHO C[C@H](CCNCc1nccs1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482876857 1187796238 /nfs/dbraw/zinc/79/62/38/1187796238.db2.gz LMSMHSPQUDBKBP-CABCVRRESA-N 1 3 338.521 2.392 10 0 EEAEHO Cc1cnc(CNCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)s1 ZINC001482890676 1187817604 /nfs/dbraw/zinc/81/76/04/1187817604.db2.gz YEUHFWUMPIZDIL-DOMZBBRYSA-N 1 3 326.510 2.022 10 0 EEAEHO CCN(CC[NH2+][C@@H](C)c1cccc(OC)c1)C(=O)CN1CCCC1 ZINC001482967443 1187904620 /nfs/dbraw/zinc/90/46/20/1187904620.db2.gz RIHCOANIIOUDLL-INIZCTEOSA-N 1 3 333.476 2.290 10 0 EEAEHO CCCN(C)CC(=O)NC/C=C\C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001483086006 1188449642 /nfs/dbraw/zinc/44/96/42/1188449642.db2.gz HBUQJAAAAGWOPY-PYTPGESOSA-N 1 3 333.451 2.417 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)CC[NH+]1CCCCC1 ZINC001483098589 1188474539 /nfs/dbraw/zinc/47/45/39/1188474539.db2.gz RULFVKVLGQGCQI-ARJAWSKDSA-N 1 3 330.476 2.028 10 0 EEAEHO C[C@H](CNC/C=C\Cl)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001483167986 1189006668 /nfs/dbraw/zinc/00/66/68/1189006668.db2.gz JACGTEOSPVZILI-BDDCHLTRSA-N 1 3 335.879 2.179 10 0 EEAEHO C[C@H](CNC/C=C\Cl)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001483167986 1189006671 /nfs/dbraw/zinc/00/66/71/1189006671.db2.gz JACGTEOSPVZILI-BDDCHLTRSA-N 1 3 335.879 2.179 10 0 EEAEHO CO[C@@H](C[N@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1)C1CCCC1 ZINC001409572045 1190053985 /nfs/dbraw/zinc/05/39/85/1190053985.db2.gz AHBWWQJLKBEUFK-WBVHZDCISA-N 1 3 339.524 2.112 10 0 EEAEHO CO[C@@H](C[N@@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1)C1CCCC1 ZINC001409572045 1190053990 /nfs/dbraw/zinc/05/39/90/1190053990.db2.gz AHBWWQJLKBEUFK-WBVHZDCISA-N 1 3 339.524 2.112 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CC(F)(F)C1 ZINC001409582170 1190069361 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COCC[N@H+](CCC(C)C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001483818114 1191046331 /nfs/dbraw/zinc/04/63/31/1191046331.db2.gz IAUAIMKKYXMFCV-GOSISDBHSA-N 1 3 339.524 2.066 10 0 EEAEHO COCC[N@@H+](CCC(C)C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001483818114 1191046332 /nfs/dbraw/zinc/04/63/32/1191046332.db2.gz IAUAIMKKYXMFCV-GOSISDBHSA-N 1 3 339.524 2.066 10 0 EEAEHO C[NH+](C)CCC(=O)N1CC[C@@](C)(CNCc2nc3ccccc3o2)C1 ZINC001484111201 1191217305 /nfs/dbraw/zinc/21/73/05/1191217305.db2.gz XMDXRFBGLLRJRA-IBGZPJMESA-N 1 3 344.459 2.108 10 0 EEAEHO Cc1nsc(C)c1CN1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001484722907 1191484056 /nfs/dbraw/zinc/48/40/56/1191484056.db2.gz KLCKTGILRNKEGI-HNNXBMFYSA-N 1 3 338.521 2.182 10 0 EEAEHO C[C@@H](NCc1cncc(F)c1)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001485161272 1191674611 /nfs/dbraw/zinc/67/46/11/1191674611.db2.gz BIZUOXRVQSWTAJ-HUUCEWRRSA-N 1 3 348.466 2.080 10 0 EEAEHO CC(C)OCCCN1CC[C@@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001691665979 1194302792 /nfs/dbraw/zinc/30/27/92/1194302792.db2.gz OQCYOQXPZPTEJW-GOSISDBHSA-N 1 3 339.524 2.066 10 0 EEAEHO COC(=O)c1cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1C ZINC000872145875 1198053183 /nfs/dbraw/zinc/05/31/83/1198053183.db2.gz XXVNLYJETGLQRT-HKUYNNGSSA-N 1 3 346.471 2.500 10 0 EEAEHO CC(=O)NCC1CCC([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000865472382 1198235600 /nfs/dbraw/zinc/23/56/00/1198235600.db2.gz ZVQRODXTSJRVIG-XYCLOBBJSA-N 1 3 339.524 2.160 10 0 EEAEHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000866711265 1201586970 /nfs/dbraw/zinc/58/69/70/1201586970.db2.gz GNYPRAURCWITHP-HPBDAGMYSA-N 1 3 345.418 2.070 10 0 EEAEHO CC(C)[C@@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)N(C)C ZINC000882391789 1201864588 /nfs/dbraw/zinc/86/45/88/1201864588.db2.gz GAPQSOVJDWYKKW-OALUTQOASA-N 1 3 344.503 2.496 10 0 EEAEHO CC(C)[C@@H](C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)N(C)C ZINC000882391789 1201864592 /nfs/dbraw/zinc/86/45/92/1201864592.db2.gz GAPQSOVJDWYKKW-OALUTQOASA-N 1 3 344.503 2.496 10 0 EEAEHO CC[C@@H]1CN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)N1 ZINC000826678603 1204783825 /nfs/dbraw/zinc/78/38/25/1204783825.db2.gz BYROLVPJAKZRPJ-FUHWJXTLSA-N 1 3 347.503 2.159 10 0 EEAEHO C[NH+](C)CC1(C(=O)NC/C=C\CN[C@H]2CCc3ccc(F)cc32)CC1 ZINC001274318223 1204996171 /nfs/dbraw/zinc/99/61/71/1204996171.db2.gz MJFPNTYQJIGTQK-JXCVUKRWSA-N 1 3 345.462 2.417 10 0 EEAEHO CN(CCC[NH2+]Cc1ccc(Cl)nc1)C(=O)CN(C)C1CCC1 ZINC001276048057 1205751007 /nfs/dbraw/zinc/75/10/07/1205751007.db2.gz LNRWAZXHDKZPIG-UHFFFAOYSA-N 1 3 338.883 2.157 10 0 EEAEHO CC1(C)[C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925483018 1206118305 /nfs/dbraw/zinc/11/83/05/1206118305.db2.gz ZHPNPCDOTMOKGO-CEXWTWQISA-N 1 3 328.504 2.412 10 0 EEAEHO C[C@@H]1CN(c2ccc(CN[C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)cn2)CCO1 ZINC000925552361 1206126942 /nfs/dbraw/zinc/12/69/42/1206126942.db2.gz IZFDZZYNSZVVRO-DJIMGWMZSA-N 1 3 332.492 2.302 10 0 EEAEHO CCOC(=O)COc1ccc(CCN[C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925573837 1206130569 /nfs/dbraw/zinc/13/05/69/1206130569.db2.gz REDDHZZFDZVOPR-SJORKVTESA-N 1 3 332.444 2.031 10 0 EEAEHO C1CC2(C1)[C@H]([NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)C[C@H]2N1CCOCC1 ZINC000925709800 1206145243 /nfs/dbraw/zinc/14/52/43/1206145243.db2.gz VXWDFIUQMRCOAP-UAFMIMERSA-N 1 3 347.547 2.388 10 0 EEAEHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1sccc1Br ZINC000925762796 1206151806 /nfs/dbraw/zinc/15/18/06/1206151806.db2.gz OIORPXBJNMYHKP-JBLDHEPKSA-N 1 3 333.295 2.395 10 0 EEAEHO c1cc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)n(-c2ccccc2)n1 ZINC000925806162 1206155672 /nfs/dbraw/zinc/15/56/72/1206155672.db2.gz YBJSEQCCCPCNGB-VAMGGRTRSA-N 1 3 340.471 2.162 10 0 EEAEHO O=C1O[C@@H](CN[C@H]2CSCCc3ccccc32)CC12CC[NH2+]CC2 ZINC000925853770 1206161365 /nfs/dbraw/zinc/16/13/65/1206161365.db2.gz REOWOOZASWEUEW-WBVHZDCISA-N 1 3 346.496 2.292 10 0 EEAEHO COc1cc([C@@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)ccc1F ZINC000925856915 1206161600 /nfs/dbraw/zinc/16/16/00/1206161600.db2.gz OETDQZQSNRXKSH-TZMCWYRMSA-N 1 3 336.407 2.170 10 0 EEAEHO Cc1ccc(SCCNC(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903496142 1240670628 /nfs/dbraw/zinc/67/06/28/1240670628.db2.gz HICDVAVDOZEWKN-HZPDHXFCSA-N 1 3 335.517 2.120 10 0 EEAEHO CC(=O)c1ccc2c(c1)CCN(C[C@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903757058 1241850207 /nfs/dbraw/zinc/85/02/07/1241850207.db2.gz BCSFQMOVFQQNME-UXHICEINSA-N 1 3 328.456 2.058 10 0 EEAEHO c1nnn([C@@H]2CCC[NH2+]C2)c1CNCCc1cc2ccccc2o1 ZINC000903919622 1242492937 /nfs/dbraw/zinc/49/29/37/1242492937.db2.gz FJOBOANZVYBMGI-OAHLLOKOSA-N 1 3 325.416 2.281 10 0 EEAEHO Cc1ncc(CN[C@H](C)CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)s1 ZINC001491505326 1259155960 /nfs/dbraw/zinc/15/59/60/1259155960.db2.gz VVEIHCCGEDHRGY-CZUORRHYSA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1ncc(CN[C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)s1 ZINC001491505326 1259155963 /nfs/dbraw/zinc/15/59/63/1259155963.db2.gz VVEIHCCGEDHRGY-CZUORRHYSA-N 1 3 338.521 2.166 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)C3([NH3+])CC4(CCC4)C3)cc2)CC1 ZINC000851630823 1277691853 /nfs/dbraw/zinc/69/18/53/1277691853.db2.gz SHJHVLMPKZLJFA-UHFFFAOYSA-N 1 3 342.487 2.429 10 0 EEAEHO C/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCCOC)CC1 ZINC001273598262 1280783903 /nfs/dbraw/zinc/78/39/03/1280783903.db2.gz ACRNKUKKXZHMBI-QTRNMDFLSA-N 1 3 349.519 2.129 10 0 EEAEHO CC(C)OCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001489311728 1290540305 /nfs/dbraw/zinc/54/03/05/1290540305.db2.gz KGJLVIXODRAVEK-APWZRJJASA-N 1 3 347.503 2.366 10 0 EEAEHO CC(C)OCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001489311728 1290540313 /nfs/dbraw/zinc/54/03/13/1290540313.db2.gz KGJLVIXODRAVEK-APWZRJJASA-N 1 3 347.503 2.366 10 0 EEAEHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCCCS(=O)(=O)Cc2ccccc2)C1 ZINC000925486235 1290548512 /nfs/dbraw/zinc/54/85/12/1290548512.db2.gz QGEMKRBWQKRQAP-DLBZAZTESA-N 1 3 338.517 2.487 10 0 EEAEHO CC1(C)C[C@@H](N)C[C@@H]([NH2+]CCCS(=O)(=O)Cc2ccccc2)C1 ZINC000925486235 1290548517 /nfs/dbraw/zinc/54/85/17/1290548517.db2.gz QGEMKRBWQKRQAP-DLBZAZTESA-N 1 3 338.517 2.487 10 0 EEAEHO CCCN(C(=O)C1CC[NH+](C)CC1)C1CCN(CCOCC)CC1 ZINC001490618340 1291529424 /nfs/dbraw/zinc/52/94/24/1291529424.db2.gz LKOUADOUHQXHBU-UHFFFAOYSA-N 1 3 339.524 2.068 10 0 EEAEHO O=C(NC[C@@H](NCc1ccns1)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001490680451 1291563212 /nfs/dbraw/zinc/56/32/12/1291563212.db2.gz XGELGTSPAOFJOR-MRXNPFEDSA-N 1 3 348.516 2.004 10 0 EEAEHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)ccc1OC ZINC000858493696 1294132420 /nfs/dbraw/zinc/13/24/20/1294132420.db2.gz DQUGNUNVIXOOPA-QRTARXTBSA-N 1 3 333.476 2.452 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)Nc2ccc(OCC[NH3+])cc2)cc(Cl)n1 ZINC000841849789 1315622483 /nfs/dbraw/zinc/62/24/83/1315622483.db2.gz LGYKXRGCSOGXPF-OAHLLOKOSA-N 1 3 348.834 2.410 10 0 EEAEHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]CCOc3ccccc3)C2)CCC1 ZINC001264394110 1322689025 /nfs/dbraw/zinc/68/90/25/1322689025.db2.gz TZQAIUCWBHRORJ-CALCHBBNSA-N 1 3 345.487 2.034 10 0 EEAEHO CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1OCC ZINC001264526910 1322725452 /nfs/dbraw/zinc/72/54/52/1322725452.db2.gz MWHNNJJBFSONFT-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@@H]1CCN(CCCCCF)C1)[NH+]1CCCC1 ZINC001265319716 1323067502 /nfs/dbraw/zinc/06/75/02/1323067502.db2.gz QEQGCFZQSBPOHQ-SJORKVTESA-N 1 3 327.488 2.437 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCOC(C)C ZINC001265692074 1323324409 /nfs/dbraw/zinc/32/44/09/1323324409.db2.gz YAOOJCYGRQIXKU-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001265989095 1323548004 /nfs/dbraw/zinc/54/80/04/1323548004.db2.gz BHKKPMKXWQYDSK-PBKBVCMISA-N 1 3 329.488 2.478 10 0 EEAEHO CC[C@H](C(=O)N(C)C1CC[NH+](CCCOC(C)C)CC1)N(C)C ZINC001266185663 1323751940 /nfs/dbraw/zinc/75/19/40/1323751940.db2.gz RMAHBMNYWUATNV-QGZVFWFLSA-N 1 3 327.513 2.065 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNCc2cnoc2C)C1 ZINC001280062073 1324073041 /nfs/dbraw/zinc/07/30/41/1324073041.db2.gz JXOQLKDZYRHRDO-WMZOPIPTSA-N 1 3 348.491 2.186 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNCc2cnoc2C)C1 ZINC001280062073 1324073045 /nfs/dbraw/zinc/07/30/45/1324073045.db2.gz JXOQLKDZYRHRDO-WMZOPIPTSA-N 1 3 348.491 2.186 10 0 EEAEHO CCOCCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001281834144 1325481522 /nfs/dbraw/zinc/48/15/22/1325481522.db2.gz VJORMDFTZDKQGD-GOSISDBHSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001281834144 1325481529 /nfs/dbraw/zinc/48/15/29/1325481529.db2.gz VJORMDFTZDKQGD-GOSISDBHSA-N 1 3 339.524 2.068 10 0 EEAEHO COCCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001282737941 1325776325 /nfs/dbraw/zinc/77/63/25/1325776325.db2.gz CWIBWDAPVQMGBQ-SJLPKXTDSA-N 1 3 339.524 2.112 10 0 EEAEHO CO[C@@H](C)C[N@H+]1CC=C(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001284918726 1326776112 /nfs/dbraw/zinc/77/61/12/1326776112.db2.gz ZTPDJPYHQZUAQV-INIZCTEOSA-N 1 3 337.508 2.034 10 0 EEAEHO CO[C@@H](C)C[N@@H+]1CC=C(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001284918726 1326776115 /nfs/dbraw/zinc/77/61/15/1326776115.db2.gz ZTPDJPYHQZUAQV-INIZCTEOSA-N 1 3 337.508 2.034 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001491581013 1330172429 /nfs/dbraw/zinc/17/24/29/1330172429.db2.gz YZOMUPZSFHDUFJ-CHWSQXEVSA-N 1 3 341.858 2.415 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@@H](NCc2nccs2)C1 ZINC001491891739 1330291817 /nfs/dbraw/zinc/29/18/17/1330291817.db2.gz NPNZOZUZEOHZQN-CABCVRRESA-N 1 3 338.521 2.392 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CCc2ccc(C)cc2)C1)N(C)C ZINC001317340589 1332186078 /nfs/dbraw/zinc/18/60/78/1332186078.db2.gz YYNANQZYUMCTAP-MOPGFXCFSA-N 1 3 331.504 2.316 10 0 EEAEHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cncs1)N(C)C ZINC001317437465 1332240703 /nfs/dbraw/zinc/24/07/03/1332240703.db2.gz WJDWJVMYPWLLIR-HOCLYGCPSA-N 1 3 338.521 2.344 10 0 EEAEHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@H+]1Cc1cncs1)N(C)C ZINC001317437465 1332240705 /nfs/dbraw/zinc/24/07/05/1332240705.db2.gz WJDWJVMYPWLLIR-HOCLYGCPSA-N 1 3 338.521 2.344 10 0 EEAEHO CC[C@@H](C(=O)N(C)CC[NH2+]C[C@H]1CCc2ccccc2C1)N(C)C ZINC001317631593 1332338309 /nfs/dbraw/zinc/33/83/09/1332338309.db2.gz ZMOBOXONPTVLCH-LPHOPBHVSA-N 1 3 331.504 2.180 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCC(CC[NH2+]Cc2ccc(F)cn2)CC1 ZINC001318875560 1332616181 /nfs/dbraw/zinc/61/61/81/1332616181.db2.gz WRKACSGZAMCZBU-SFHVURJKSA-N 1 3 348.466 2.033 10 0 EEAEHO Cc1nocc1CNCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001320448615 1332886306 /nfs/dbraw/zinc/88/63/06/1332886306.db2.gz WMOZKYQDLSTLPR-RDTXWAMCSA-N 1 3 348.491 2.374 10 0 EEAEHO Cc1nocc1CNCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001320448615 1332886312 /nfs/dbraw/zinc/88/63/12/1332886312.db2.gz WMOZKYQDLSTLPR-RDTXWAMCSA-N 1 3 348.491 2.374 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc2c(c1)COC2)N(C)C ZINC001320609072 1332920121 /nfs/dbraw/zinc/92/01/21/1332920121.db2.gz QXKGCKGYYBHTLS-KBXCAEBGSA-N 1 3 333.476 2.041 10 0 EEAEHO CN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1C1CC1 ZINC001320996429 1332993350 /nfs/dbraw/zinc/99/33/50/1332993350.db2.gz DVATWIDYGIQRDD-PXPVJAHISA-N 1 3 327.472 2.420 10 0 EEAEHO Cc1ccc(C[NH2+]C/C=C\CNC(=O)CN(C)C2CCC2)cc1F ZINC001321095474 1333018007 /nfs/dbraw/zinc/01/80/07/1333018007.db2.gz IWXUKANMMLRPIZ-ARJAWSKDSA-N 1 3 333.451 2.380 10 0 EEAEHO C[C@H](CNCc1ccnc(Cl)c1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001321608826 1333132177 /nfs/dbraw/zinc/13/21/77/1333132177.db2.gz HSMXKWIFWZWVNW-CYBMUJFWSA-N 1 3 338.883 2.204 10 0 EEAEHO CN(CCCNCc1ccc(F)cn1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001322549995 1333281187 /nfs/dbraw/zinc/28/11/87/1333281187.db2.gz UZDHKYPIVOFOBQ-KRWDZBQOSA-N 1 3 336.455 2.033 10 0 EEAEHO CN(CCCNCc1ccc(F)cn1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001322549995 1333281192 /nfs/dbraw/zinc/28/11/92/1333281192.db2.gz UZDHKYPIVOFOBQ-KRWDZBQOSA-N 1 3 336.455 2.033 10 0 EEAEHO CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCC2CCCCC2)C1)N(C)C ZINC001327048588 1334211185 /nfs/dbraw/zinc/21/11/85/1334211185.db2.gz LMGKRXXENSZJQA-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CCCN(C)CC(=O)NC1CC(C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001328942598 1334552852 /nfs/dbraw/zinc/55/28/52/1334552852.db2.gz YGENDFZHPVEURE-UHFFFAOYSA-N 1 3 338.883 2.061 10 0 EEAEHO C[C@H](CCC[NH2+]CC1CC(F)(F)C1)NC(=O)C1(N(C)C)CCC1 ZINC001330834955 1334911875 /nfs/dbraw/zinc/91/18/75/1334911875.db2.gz GVFJCYFGEXLRJQ-CYBMUJFWSA-N 1 3 331.451 2.391 10 0 EEAEHO CN(Cc1cccc(Cl)n1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001331040528 1334951609 /nfs/dbraw/zinc/95/16/09/1334951609.db2.gz YTRRZYFZUNNMJQ-UHFFFAOYSA-N 1 3 338.883 2.110 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)[C@@H](C[NH2+]CCC(F)(F)F)C2CC2)C1 ZINC001331326930 1334997203 /nfs/dbraw/zinc/99/72/03/1334997203.db2.gz VSHXIIYSFOLJGC-JSGCOSHPSA-N 1 3 335.414 2.107 10 0 EEAEHO C[C@@H]1C[C@@H](C[N@H+]2CC=C(CNC(=O)C3(N(C)C)CCC3)CC2)CCO1 ZINC001333352260 1336017235 /nfs/dbraw/zinc/01/72/35/1336017235.db2.gz YYDKGLVWSWXNTJ-AEFFLSMTSA-N 1 3 349.519 2.034 10 0 EEAEHO C[C@@H]1C[C@@H](C[N@@H+]2CC=C(CNC(=O)C3(N(C)C)CCC3)CC2)CCO1 ZINC001333352260 1336017240 /nfs/dbraw/zinc/01/72/40/1336017240.db2.gz YYDKGLVWSWXNTJ-AEFFLSMTSA-N 1 3 349.519 2.034 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC001660380280 1354454162 /nfs/dbraw/zinc/45/41/62/1354454162.db2.gz TVHMPBQYWOLHRJ-GFCCVEGCSA-N 1 3 347.290 2.283 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC001660380280 1354454164 /nfs/dbraw/zinc/45/41/64/1354454164.db2.gz TVHMPBQYWOLHRJ-GFCCVEGCSA-N 1 3 347.290 2.283 10 0 EEAEHO CCN(CC[NH2+]Cc1cccnc1)C(=O)c1cccc(CN(C)C)c1 ZINC001668652355 1355980395 /nfs/dbraw/zinc/98/03/95/1355980395.db2.gz NCLCHQZDVITDCL-UHFFFAOYSA-N 1 3 340.471 2.395 10 0 EEAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1ccnc(Cl)c1 ZINC001567017188 1342679862 /nfs/dbraw/zinc/67/98/62/1342679862.db2.gz VOYQJOFGQREYQM-HIFRSBDPSA-N 1 3 338.883 2.202 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1ccnc(Cl)c1 ZINC001567017188 1342679865 /nfs/dbraw/zinc/67/98/65/1342679865.db2.gz VOYQJOFGQREYQM-HIFRSBDPSA-N 1 3 338.883 2.202 10 0 EEAEHO CN(Cc1ccccn1)C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001567742713 1342830604 /nfs/dbraw/zinc/83/06/04/1342830604.db2.gz QGLHEVUKUNWTEX-KRWDZBQOSA-N 1 3 332.492 2.094 10 0 EEAEHO CCOCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC001677014047 1357262428 /nfs/dbraw/zinc/26/24/28/1357262428.db2.gz VECHETSYLJDAKD-MRXNPFEDSA-N 1 3 339.524 2.114 10 0 EEAEHO CC1([NH2+]CCOc2ccccc2)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001649461347 1353518227 /nfs/dbraw/zinc/51/82/27/1353518227.db2.gz LNNQSJJXBMHVAK-UHFFFAOYSA-N 1 3 342.443 2.002 10 0 EEAEHO CN(CC(=O)N1CC[C@H](C[NH2+]CCc2ccccc2F)C1)C1CCC1 ZINC001662640757 1354818030 /nfs/dbraw/zinc/81/80/30/1354818030.db2.gz LYXANFVRLXCNNT-MRXNPFEDSA-N 1 3 347.478 2.291 10 0 EEAEHO Cc1cccc(Cl)c1CNCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001664312860 1355136396 /nfs/dbraw/zinc/13/63/96/1355136396.db2.gz AXNASGGJKNUNFU-UHFFFAOYSA-N 1 3 335.879 2.292 10 0 EEAEHO Cc1cncc(CN(C)C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001664855111 1355244130 /nfs/dbraw/zinc/24/41/30/1355244130.db2.gz VLHUFRLDXFEMFD-SFHVURJKSA-N 1 3 346.519 2.402 10 0 EEAEHO CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001666992016 1355628861 /nfs/dbraw/zinc/62/88/61/1355628861.db2.gz JXHWNFQAVZQZPZ-MAUKXSAKSA-N 1 3 345.503 2.060 10 0 EEAEHO CCCCOCC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001667176859 1355665469 /nfs/dbraw/zinc/66/54/69/1355665469.db2.gz RHNHDNQEELPOSC-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)CN(C)C(C)C)on1 ZINC001667307214 1355706190 /nfs/dbraw/zinc/70/61/90/1355706190.db2.gz SDZQALUHTXIRDS-INIZCTEOSA-N 1 3 336.480 2.184 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC/C=C/C[NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001669038904 1356073726 /nfs/dbraw/zinc/07/37/26/1356073726.db2.gz GWJVHYVGNTYXNY-REUDQUMMSA-N 1 3 343.462 2.416 10 0 EEAEHO COc1ccc(C)cc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001670041829 1356265922 /nfs/dbraw/zinc/26/59/22/1356265922.db2.gz JRTCJGVEKIUVGD-KRWDZBQOSA-N 1 3 333.476 2.036 10 0 EEAEHO CN(C)C1(C(=O)N(C)CCC[NH2+]Cc2ccc(F)cc2F)CCC1 ZINC001670123691 1356279490 /nfs/dbraw/zinc/27/94/90/1356279490.db2.gz BCLLQGRYVQHXJQ-UHFFFAOYSA-N 1 3 339.430 2.387 10 0 EEAEHO CN(CC(=O)N1CC[C@@H](CC[NH2+]Cc2cncc(F)c2)C1)C1CCC1 ZINC001672805111 1356588183 /nfs/dbraw/zinc/58/81/83/1356588183.db2.gz KTLBCZWNQRISGA-OAHLLOKOSA-N 1 3 348.466 2.033 10 0 EEAEHO CC(C)CCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001674474411 1356841099 /nfs/dbraw/zinc/84/10/99/1356841099.db2.gz AZEDHFLANOFSIT-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)CCOCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001674474411 1356841102 /nfs/dbraw/zinc/84/11/02/1356841102.db2.gz AZEDHFLANOFSIT-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1conc1C ZINC001698920610 1405162494 /nfs/dbraw/zinc/16/24/94/1405162494.db2.gz MYLSRVQTHHIMRZ-KRWDZBQOSA-N 1 3 336.480 2.186 10 0 EEAEHO C[NH+]1CCC(CC(=O)NC/C=C\CNCc2cccc(F)c2)CC1 ZINC001699316053 1405331912 /nfs/dbraw/zinc/33/19/12/1405331912.db2.gz WLMUCNXEYKVXMW-IHWYPQMZSA-N 1 3 333.451 2.320 10 0 EEAEHO CC[NH+](CC)CCCNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000844166294 788882311 /nfs/dbraw/zinc/88/23/11/788882311.db2.gz CTNGVJPFKUIBDL-CQSZACIVSA-N 1 3 326.872 2.281 10 0 EEAEHO Fc1cccc(CN(C[C@H]2CCCO2)C[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923308570 789343451 /nfs/dbraw/zinc/34/34/51/789343451.db2.gz FGLMGFFUAQVMPF-QZTJIDSGSA-N 1 3 334.435 2.185 10 0 EEAEHO CC(C)c1ccc(OCCNC(=O)CN2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923497162 789670821 /nfs/dbraw/zinc/67/08/21/789670821.db2.gz GACUXEAVAGIYAH-AEFFLSMTSA-N 1 3 347.503 2.222 10 0 EEAEHO O[C@@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCSC1 ZINC000716654108 796405277 /nfs/dbraw/zinc/40/52/77/796405277.db2.gz FEMNIAWCXIIWKK-CADBVGFASA-N 1 3 332.513 2.497 10 0 EEAEHO CC(C)C[NH2+][C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001436804287 1088385216 /nfs/dbraw/zinc/38/52/16/1088385216.db2.gz CVIQGKSJHHPBQO-MAUKXSAKSA-N 1 3 327.488 2.339 10 0 EEAEHO O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H](NCc2cncs2)C1 ZINC001436933287 1088603675 /nfs/dbraw/zinc/60/36/75/1088603675.db2.gz XOKAOPPATRTEBH-SHTZXODSSA-N 1 3 336.505 2.146 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@H+](Cc3cccnc3)CC[C@@H]21 ZINC001436946979 1088629874 /nfs/dbraw/zinc/62/98/74/1088629874.db2.gz VABDVTDAWAGNHH-MOPGFXCFSA-N 1 3 344.503 2.235 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@@H+](Cc3cccnc3)CC[C@@H]21 ZINC001436946979 1088629881 /nfs/dbraw/zinc/62/98/81/1088629881.db2.gz VABDVTDAWAGNHH-MOPGFXCFSA-N 1 3 344.503 2.235 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NCc1nc(C)cs1 ZINC001437379277 1089625660 /nfs/dbraw/zinc/62/56/60/1089625660.db2.gz GQHODYWZBQSVQZ-ZFWWWQNUSA-N 1 3 338.521 2.310 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NCc1nc(C)cs1 ZINC001437379277 1089625673 /nfs/dbraw/zinc/62/56/73/1089625673.db2.gz GQHODYWZBQSVQZ-ZFWWWQNUSA-N 1 3 338.521 2.310 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)NCc1ncc(C)s1 ZINC001437386713 1089639075 /nfs/dbraw/zinc/63/90/75/1089639075.db2.gz VVNYOUMCBNUHHQ-HIFRSBDPSA-N 1 3 338.521 2.310 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)NCc1ncc(C)s1 ZINC001437386713 1089639081 /nfs/dbraw/zinc/63/90/81/1089639081.db2.gz VVNYOUMCBNUHHQ-HIFRSBDPSA-N 1 3 338.521 2.310 10 0 EEAEHO CCc1ccc(CN(CCNC(=O)C23CC[NH+](CC2)C3)C2CC2)cc1 ZINC001437812941 1090406701 /nfs/dbraw/zinc/40/67/01/1090406701.db2.gz DLHBQDGAQLJKAK-UHFFFAOYSA-N 1 3 341.499 2.425 10 0 EEAEHO CC[C@@H](F)CN(C)C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001437990258 1090587539 /nfs/dbraw/zinc/58/75/39/1090587539.db2.gz MNKKNPCLFAGWRJ-DLBZAZTESA-N 1 3 327.488 2.391 10 0 EEAEHO CC[C@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]Cc1cncc(C)c1 ZINC001438304221 1090783149 /nfs/dbraw/zinc/78/31/49/1090783149.db2.gz MUAPAILFLLDKRS-QZTJIDSGSA-N 1 3 332.492 2.247 10 0 EEAEHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(OC)cc1 ZINC001438342512 1090819314 /nfs/dbraw/zinc/81/93/14/1090819314.db2.gz WKIQPRFJZRTAAE-DOTOQJQBSA-N 1 3 333.476 2.021 10 0 EEAEHO Cc1ccc(F)c(CNC[C@H](C)NC(=O)C23CCC[NH+]2CCC3)c1 ZINC001445580329 1091366131 /nfs/dbraw/zinc/36/61/31/1091366131.db2.gz IMRAZTXFBGMOQH-HNNXBMFYSA-N 1 3 333.451 2.357 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](CNCc2ccccn2)C2CC2)C1 ZINC001445970005 1091924254 /nfs/dbraw/zinc/92/42/54/1091924254.db2.gz PCJFFBQIQXRQJS-HKUYNNGSSA-N 1 3 344.503 2.188 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](CNCc2ccccn2)C2CC2)C1 ZINC001445970005 1091924262 /nfs/dbraw/zinc/92/42/62/1091924262.db2.gz PCJFFBQIQXRQJS-HKUYNNGSSA-N 1 3 344.503 2.188 10 0 EEAEHO CCN(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)no1)c1ccccc1 ZINC001439268209 1091924403 /nfs/dbraw/zinc/92/44/03/1091924403.db2.gz ADFLPMZIEGBKJS-YJBOKZPZSA-N 1 3 344.459 2.270 10 0 EEAEHO C[C@@H](CN(C)CCc1c(F)cccc1Cl)NC(=O)CC[NH+](C)C ZINC001439367815 1092095140 /nfs/dbraw/zinc/09/51/40/1092095140.db2.gz VSFMXLFYLDFMIH-ZDUSSCGKSA-N 1 3 343.874 2.410 10 0 EEAEHO C[C@@H](NC1(CNC(=O)C2(C[NH+](C)C)CC2)CC1)c1cccc(F)c1 ZINC001439638812 1092560961 /nfs/dbraw/zinc/56/09/61/1092560961.db2.gz IAZFCCHDECHXCV-CQSZACIVSA-N 1 3 333.451 2.467 10 0 EEAEHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCC4CC4)C[C@H]3C2)CCC1 ZINC001448467129 1093479090 /nfs/dbraw/zinc/47/90/90/1093479090.db2.gz UOLYWLMNQHFLLK-KZNAEPCWSA-N 1 3 333.520 2.488 10 0 EEAEHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CCC4CC4)C[C@H]3C2)CCC1 ZINC001448467129 1093479095 /nfs/dbraw/zinc/47/90/95/1093479095.db2.gz UOLYWLMNQHFLLK-KZNAEPCWSA-N 1 3 333.520 2.488 10 0 EEAEHO Cc1nocc1CNC[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001448516130 1093543350 /nfs/dbraw/zinc/54/33/50/1093543350.db2.gz KSXOFTGMGQFGDI-SAABIXHNSA-N 1 3 348.491 2.234 10 0 EEAEHO Cc1ccncc1C[N@H+]1CCC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001441577816 1095372452 /nfs/dbraw/zinc/37/24/52/1095372452.db2.gz GQDBDLKXSMYIRF-AEFFLSMTSA-N 1 3 344.503 2.060 10 0 EEAEHO Cc1ccncc1C[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001441577816 1095372468 /nfs/dbraw/zinc/37/24/68/1095372468.db2.gz GQDBDLKXSMYIRF-AEFFLSMTSA-N 1 3 344.503 2.060 10 0 EEAEHO CC[C@@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1)OC ZINC001441645784 1095590537 /nfs/dbraw/zinc/59/05/37/1095590537.db2.gz NWLIETGGNCOQJS-SJORKVTESA-N 1 3 339.524 2.257 10 0 EEAEHO CC[C@@H](C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1)OC ZINC001441645784 1095590544 /nfs/dbraw/zinc/59/05/44/1095590544.db2.gz NWLIETGGNCOQJS-SJORKVTESA-N 1 3 339.524 2.257 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@H]([NH2+]CCC(F)(F)F)[C@@H]2C1 ZINC001441862198 1095967303 /nfs/dbraw/zinc/96/73/03/1095967303.db2.gz GLTOOECVFFRTDJ-YUTCNCBUSA-N 1 3 344.381 2.121 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NCCN(C)Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC001442409414 1096730349 /nfs/dbraw/zinc/73/03/49/1096730349.db2.gz FBCALUFCJBVZAI-RHSMWYFYSA-N 1 3 328.460 2.056 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NCCN(C)Cc2ccc3cc[nH]c3c2)CC[N@H+]1C ZINC001442409414 1096730360 /nfs/dbraw/zinc/73/03/60/1096730360.db2.gz 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/nfs/dbraw/zinc/23/74/19/269237419.db2.gz GWIOHTSOONZMFN-BCDXTJNWSA-N 1 3 325.460 2.441 10 0 EEAEHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000349819591 278340806 /nfs/dbraw/zinc/34/08/06/278340806.db2.gz JOHIYEDHUMRIRI-RDJZCZTQSA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000349819591 278340810 /nfs/dbraw/zinc/34/08/10/278340810.db2.gz JOHIYEDHUMRIRI-RDJZCZTQSA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000247500540 288309737 /nfs/dbraw/zinc/30/97/37/288309737.db2.gz UZRNFZZPOYIKCX-QRQLOZEOSA-N 1 3 344.503 2.037 10 0 EEAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000247500540 288309739 /nfs/dbraw/zinc/30/97/39/288309739.db2.gz UZRNFZZPOYIKCX-QRQLOZEOSA-N 1 3 344.503 2.037 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000333782651 312196638 /nfs/dbraw/zinc/19/66/38/312196638.db2.gz LBXRMUBTAPUNOB-MTHXSQLBSA-N 1 3 342.487 2.119 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000416838458 313330818 /nfs/dbraw/zinc/33/08/18/313330818.db2.gz JGJOYTWTOZARQU-BPQIPLTHSA-N 1 3 332.492 2.367 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000416839777 313331267 /nfs/dbraw/zinc/33/12/67/313331267.db2.gz KHKOVVMMKGLLBQ-CEXWTWQISA-N 1 3 344.503 2.463 10 0 EEAEHO C[C@H](CN1CCCCC1)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417039209 313404325 /nfs/dbraw/zinc/40/43/25/313404325.db2.gz UWVIGLLDBNYZRQ-QGZVFWFLSA-N 1 3 332.492 2.074 10 0 EEAEHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000527815288 317268904 /nfs/dbraw/zinc/26/89/04/317268904.db2.gz CEXGDJAVPPVIRU-WMZOPIPTSA-N 1 3 336.524 2.280 10 0 EEAEHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000527815288 317268908 /nfs/dbraw/zinc/26/89/08/317268908.db2.gz CEXGDJAVPPVIRU-WMZOPIPTSA-N 1 3 336.524 2.280 10 0 EEAEHO C[C@@]1(CNC(=O)NC2CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000563593668 319027322 /nfs/dbraw/zinc/02/73/22/319027322.db2.gz KNJOIWMTXXFDPH-IBGZPJMESA-N 1 3 330.476 2.092 10 0 EEAEHO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000574351637 320017611 /nfs/dbraw/zinc/01/76/11/320017611.db2.gz VKARMYKGQLVMFD-FHWLQOOXSA-N 1 3 331.504 2.300 10 0 EEAEHO COc1cncc(/C=C\CC[NH+]2CCC(N(C)CCCO)CC2)c1 ZINC000578066498 320292461 /nfs/dbraw/zinc/29/24/61/320292461.db2.gz VPWKTVFWAGTHIV-UTCJRWHESA-N 1 3 333.476 2.272 10 0 EEAEHO C[NH+](C)Cc1ccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000392436710 323550360 /nfs/dbraw/zinc/55/03/60/323550360.db2.gz OWRUFAGWUMMRMH-JTDSTZFVSA-N 1 3 331.460 2.219 10 0 EEAEHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCc2ccccc2[C@H]1CN ZINC000580548719 324085008 /nfs/dbraw/zinc/08/50/08/324085008.db2.gz FCHJKBCYXYZUHH-GPMSIDNRSA-N 1 3 344.503 2.375 10 0 EEAEHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCc2ccccc2[C@H]1CN ZINC000580548719 324085012 /nfs/dbraw/zinc/08/50/12/324085012.db2.gz FCHJKBCYXYZUHH-GPMSIDNRSA-N 1 3 344.503 2.375 10 0 EEAEHO C[C@H](CC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)[S@](C)=O ZINC000358316373 465055698 /nfs/dbraw/zinc/05/56/98/465055698.db2.gz IFGCTOIBUZCGDL-GTQRCTGISA-N 1 3 326.506 2.435 10 0 EEAEHO CC[NH+]1CCC(CCNC(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000074713018 462627191 /nfs/dbraw/zinc/62/71/91/462627191.db2.gz ZISZITCDCCZWOR-UHFFFAOYSA-N 1 3 345.491 2.035 10 0 EEAEHO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000048711588 462933545 /nfs/dbraw/zinc/93/35/45/462933545.db2.gz KOPSQLBXHWTWPK-CYBMUJFWSA-N 1 3 340.427 2.379 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)NCCC3CCCC3)CC2)CC1 ZINC000051269917 463028046 /nfs/dbraw/zinc/02/80/46/463028046.db2.gz NOAKLZMFWHQENR-UHFFFAOYSA-N 1 3 336.524 2.425 10 0 EEAEHO C[C@@H](CCn1cccn1)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000158884272 463256827 /nfs/dbraw/zinc/25/68/27/463256827.db2.gz HCCIUVCVYCMKEM-SFHVURJKSA-N 1 3 333.524 2.202 10 0 EEAEHO CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@H]3CCCN(C)C3)C2)CC1 ZINC000590859849 468358797 /nfs/dbraw/zinc/35/87/97/468358797.db2.gz TWRYVTSOSSGPQB-MSOLQXFVSA-N 1 3 336.524 2.234 10 0 EEAEHO C[C@H](CN1CCN(C)CC1)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000268923058 463809901 /nfs/dbraw/zinc/80/99/01/463809901.db2.gz XHKUBFQLYMRWNS-ZVDOUQERSA-N 1 3 344.547 2.123 10 0 EEAEHO C[NH2+]C1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)CC1 ZINC000237147733 464272772 /nfs/dbraw/zinc/27/27/72/464272772.db2.gz JQQTWYLDZFSXBX-UHFFFAOYSA-N 1 3 344.503 2.041 10 0 EEAEHO C[C@@H]([NH2+]C[C@H](CO)c1cccnc1)c1ccc(OCCN(C)C)cc1 ZINC000348224939 465498431 /nfs/dbraw/zinc/49/84/31/465498431.db2.gz ZRIZBUOALRVOFC-VQIMIIECSA-N 1 3 343.471 2.449 10 0 EEAEHO CN1CCC([C@H]2CC[N@H+](Cc3ccc(-n4cncn4)cc3)C2)CC1 ZINC000349199915 466017164 /nfs/dbraw/zinc/01/71/64/466017164.db2.gz YTHRGTSXUGWPKW-SFHVURJKSA-N 1 3 325.460 2.431 10 0 EEAEHO CN1CCC([C@H]2CC[N@@H+](Cc3ccc(-n4cncn4)cc3)C2)CC1 ZINC000349199915 466017169 /nfs/dbraw/zinc/01/71/69/466017169.db2.gz YTHRGTSXUGWPKW-SFHVURJKSA-N 1 3 325.460 2.431 10 0 EEAEHO C[NH2+]CCCNC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417678520 466906080 /nfs/dbraw/zinc/90/60/80/466906080.db2.gz GSGWQRRKMBRMAP-SFHVURJKSA-N 1 3 346.519 2.368 10 0 EEAEHO N[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000417792484 466936353 /nfs/dbraw/zinc/93/63/53/466936353.db2.gz KOAOOJFNTUHWFS-QZTJIDSGSA-N 1 3 330.476 2.250 10 0 EEAEHO N[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000417792484 466936358 /nfs/dbraw/zinc/93/63/58/466936358.db2.gz KOAOOJFNTUHWFS-QZTJIDSGSA-N 1 3 330.476 2.250 10 0 EEAEHO C[NH+]1CCC(CC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000370678300 466963052 /nfs/dbraw/zinc/96/30/52/466963052.db2.gz WABCLUZRPYYKSZ-VQTJNVASSA-N 1 3 341.499 2.451 10 0 EEAEHO C[C@@H](CCC[NH3+])NC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418047664 467033257 /nfs/dbraw/zinc/03/32/57/467033257.db2.gz UEUIINHJWITDFJ-LPHOPBHVSA-N 1 3 332.492 2.468 10 0 EEAEHO CCCN(C(=O)NCCC[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418311165 467091491 /nfs/dbraw/zinc/09/14/91/467091491.db2.gz LFCNLCLJMOCUTG-GOSISDBHSA-N 1 3 332.492 2.421 10 0 EEAEHO CC(C)C[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418431334 467109792 /nfs/dbraw/zinc/10/97/92/467109792.db2.gz WSKLKAUIMIAUQT-ZWKOTPCHSA-N 1 3 332.492 2.276 10 0 EEAEHO N[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000418443310 467111524 /nfs/dbraw/zinc/11/15/24/467111524.db2.gz FMKSTNHRCKSJNN-MSOLQXFVSA-N 1 3 330.476 2.346 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000418607035 467135097 /nfs/dbraw/zinc/13/50/97/467135097.db2.gz ZYAFDSWMKSVCCL-APWZRJJASA-N 1 3 344.503 2.290 10 0 EEAEHO CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388539358 467397134 /nfs/dbraw/zinc/39/71/34/467397134.db2.gz TWEKVJIJRAVMDL-IPMKNSEASA-N 1 3 329.488 2.484 10 0 EEAEHO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414297750 467399345 /nfs/dbraw/zinc/39/93/45/467399345.db2.gz GNNNCPYUMZBPQS-PXNSSMCTSA-N 1 3 343.515 2.086 10 0 EEAEHO NCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000415117489 467494199 /nfs/dbraw/zinc/49/41/99/467494199.db2.gz VMNYOHFXPZLOIJ-LLVKDONJSA-N 1 3 330.259 2.280 10 0 EEAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CC2(O)CCN(C)CC2)CC1 ZINC000449166209 467621635 /nfs/dbraw/zinc/62/16/35/467621635.db2.gz ZHEQMKMPFQWGKF-SFHVURJKSA-N 1 3 345.531 2.128 10 0 EEAEHO CCCN1CCN(c2ccccc2CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000449519498 467655182 /nfs/dbraw/zinc/65/51/82/467655182.db2.gz CSEQDMTWYQKXCF-PZJWPPBQSA-N 1 3 342.531 2.355 10 0 EEAEHO CCCN1CCN(c2ccccc2CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000449519498 467655185 /nfs/dbraw/zinc/65/51/85/467655185.db2.gz CSEQDMTWYQKXCF-PZJWPPBQSA-N 1 3 342.531 2.355 10 0 EEAEHO CN1CC[C@H](NC(=O)NCC[C@H]2CCC[N@H+](C)C2)[C@@H]1c1ccccc1 ZINC000458596179 467864293 /nfs/dbraw/zinc/86/42/93/467864293.db2.gz WPEGYCVEGPHCBX-NEWSRXKRSA-N 1 3 344.503 2.463 10 0 EEAEHO CN1CC[C@H](NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)[C@@H]1c1ccccc1 ZINC000458596179 467864295 /nfs/dbraw/zinc/86/42/95/467864295.db2.gz WPEGYCVEGPHCBX-NEWSRXKRSA-N 1 3 344.503 2.463 10 0 EEAEHO COCC(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c1 ZINC000516200468 468018910 /nfs/dbraw/zinc/01/89/10/468018910.db2.gz KFQKXRJIXCDNME-KZNAEPCWSA-N 1 3 331.460 2.234 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000494422150 468054710 /nfs/dbraw/zinc/05/47/10/468054710.db2.gz BEBKDECLNKUANP-RTBURBONSA-N 1 3 331.504 2.468 10 0 EEAEHO C[NH+](C)C[C@@H]1CCCCN1C(=O)CCN1CCc2ccccc2C1 ZINC000567661815 468177767 /nfs/dbraw/zinc/17/77/67/468177767.db2.gz SRYSLMBJHRPHCU-IBGZPJMESA-N 1 3 329.488 2.378 10 0 EEAEHO N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000520567535 468258846 /nfs/dbraw/zinc/25/88/46/468258846.db2.gz LWQOEWCNDMJLEY-QYZOEREBSA-N 1 3 341.430 2.039 10 0 EEAEHO [NH3+][C@H]1CCC[C@H]1NCCc1ccc(I)cc1 ZINC000596655882 469323741 /nfs/dbraw/zinc/32/37/41/469323741.db2.gz ZCOPVLYMOFUVNN-QWHCGFSZSA-N 1 3 330.213 2.303 10 0 EEAEHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC000629418802 469535840 /nfs/dbraw/zinc/53/58/40/469535840.db2.gz UBHLGQFQWADQPD-MRXNPFEDSA-N 1 3 339.524 2.257 10 0 EEAEHO COc1ncc(Br)cc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629524411 469573259 /nfs/dbraw/zinc/57/32/59/469573259.db2.gz QZXKEGHXUCVANE-MISXGVKJSA-N 1 3 340.265 2.330 10 0 EEAEHO CCNC(=O)COc1cccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)c1 ZINC000623363246 469635509 /nfs/dbraw/zinc/63/55/09/469635509.db2.gz IZVLBOWZRFCXIW-INIZCTEOSA-N 1 3 333.476 2.164 10 0 EEAEHO O=C(NCCN1CCCC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000623544732 469688295 /nfs/dbraw/zinc/68/82/95/469688295.db2.gz IGAQLYKGDKPYDT-VQTJNVASSA-N 1 3 341.499 2.357 10 0 EEAEHO O=C(NCCN1CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000623544732 469688304 /nfs/dbraw/zinc/68/83/04/469688304.db2.gz IGAQLYKGDKPYDT-VQTJNVASSA-N 1 3 341.499 2.357 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1Cc2ccccc2S1 ZINC000617503933 469701618 /nfs/dbraw/zinc/70/16/18/469701618.db2.gz BFTXETKNNIVYGH-WMLDXEAASA-N 1 3 335.517 2.092 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1Cc2ccccc2S1 ZINC000617503933 469701622 /nfs/dbraw/zinc/70/16/22/469701622.db2.gz BFTXETKNNIVYGH-WMLDXEAASA-N 1 3 335.517 2.092 10 0 EEAEHO C[C@@H](CNC(=O)NC[C@@H]1CCN1C1CCCC1)C[NH+]1CCCCC1 ZINC000623715047 469742664 /nfs/dbraw/zinc/74/26/64/469742664.db2.gz RKTHFKMOVDZMDE-WMZOPIPTSA-N 1 3 336.524 2.425 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)NCC2(N(C)Cc3ccccc3)CCC2)C[NH2+]1 ZINC000627050191 469802153 /nfs/dbraw/zinc/80/21/53/469802153.db2.gz DRSWJONYYGFSEG-SJLPKXTDSA-N 1 3 344.503 2.481 10 0 EEAEHO C[C@H]1CC[C@H](NC(=O)N(C)C2CCN(Cc3ccccc3)CC2)C[NH2+]1 ZINC000627199490 469841458 /nfs/dbraw/zinc/84/14/58/469841458.db2.gz YBJDBZSBSDRZEJ-WMZOPIPTSA-N 1 3 344.503 2.433 10 0 EEAEHO CC[C@@H](C(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C)[NH+](CC)CC ZINC000620915443 469950641 /nfs/dbraw/zinc/95/06/41/469950641.db2.gz KRZLJSDFZWYNQE-IRXDYDNUSA-N 1 3 339.524 2.209 10 0 EEAEHO COCCC1(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)CC[NH2+]CC1 ZINC000643788481 470784744 /nfs/dbraw/zinc/78/47/44/470784744.db2.gz YFORQUQSXSFYHL-KRWDZBQOSA-N 1 3 347.503 2.029 10 0 EEAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000648482671 471217553 /nfs/dbraw/zinc/21/75/53/471217553.db2.gz FSWBEYRFACPEON-BBTUJRGHSA-N 1 3 345.531 2.391 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652137172 471242629 /nfs/dbraw/zinc/24/26/29/471242629.db2.gz BRKOBBHSWJTEBQ-WBVHZDCISA-N 1 3 330.476 2.250 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC[N@@H+]1C ZINC000659037302 471479374 /nfs/dbraw/zinc/47/93/74/471479374.db2.gz WNDCWBVWOBYAJX-JLSDUUJJSA-N 1 3 346.475 2.294 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC[N@H+]1C ZINC000659037302 471479377 /nfs/dbraw/zinc/47/93/77/471479377.db2.gz WNDCWBVWOBYAJX-JLSDUUJJSA-N 1 3 346.475 2.294 10 0 EEAEHO CC(C)C[N@H+](C)CCCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659038923 471481237 /nfs/dbraw/zinc/48/12/37/471481237.db2.gz DRARDSKUOCIFQU-SFHVURJKSA-N 1 3 348.491 2.447 10 0 EEAEHO CC(C)C[N@@H+](C)CCCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659038923 471481240 /nfs/dbraw/zinc/48/12/40/471481240.db2.gz DRARDSKUOCIFQU-SFHVURJKSA-N 1 3 348.491 2.447 10 0 EEAEHO Cc1ccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)c1 ZINC000663739194 471498237 /nfs/dbraw/zinc/49/82/37/471498237.db2.gz IZUCAOITFAXDGT-KRWDZBQOSA-N 1 3 334.508 2.375 10 0 EEAEHO Cc1ccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)c1 ZINC000663739194 471498240 /nfs/dbraw/zinc/49/82/40/471498240.db2.gz IZUCAOITFAXDGT-KRWDZBQOSA-N 1 3 334.508 2.375 10 0 EEAEHO CC[C@H](C)N[C@@H](CNC(=O)N(CC)[C@H]1CC[N@H+](C)C1)c1ccco1 ZINC000664875128 471886773 /nfs/dbraw/zinc/88/67/73/471886773.db2.gz WAVBQBNDNKMCMG-JYJNAYRXSA-N 1 3 336.480 2.444 10 0 EEAEHO CC[C@H](C)N[C@@H](CNC(=O)N(CC)[C@H]1CC[N@@H+](C)C1)c1ccco1 ZINC000664875128 471886779 /nfs/dbraw/zinc/88/67/79/471886779.db2.gz WAVBQBNDNKMCMG-JYJNAYRXSA-N 1 3 336.480 2.444 10 0 EEAEHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000667962456 471965016 /nfs/dbraw/zinc/96/50/16/471965016.db2.gz POGOLGRYXVCAQB-UFYCRDLUSA-N 1 3 330.472 2.300 10 0 EEAEHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000667962456 471965019 /nfs/dbraw/zinc/96/50/19/471965019.db2.gz POGOLGRYXVCAQB-UFYCRDLUSA-N 1 3 330.472 2.300 10 0 EEAEHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@H]1CO[C@@H](C2CC2)C1 ZINC000667962454 471965077 /nfs/dbraw/zinc/96/50/77/471965077.db2.gz POGOLGRYXVCAQB-HSALFYBXSA-N 1 3 330.472 2.300 10 0 EEAEHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@H]1CO[C@@H](C2CC2)C1 ZINC000667962454 471965080 /nfs/dbraw/zinc/96/50/80/471965080.db2.gz POGOLGRYXVCAQB-HSALFYBXSA-N 1 3 330.472 2.300 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000665761525 472178167 /nfs/dbraw/zinc/17/81/67/472178167.db2.gz GWFVNNCCNQYKJD-NCOADZHNSA-N 1 3 326.529 2.334 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000665761525 472178176 /nfs/dbraw/zinc/17/81/76/472178176.db2.gz GWFVNNCCNQYKJD-NCOADZHNSA-N 1 3 326.529 2.334 10 0 EEAEHO CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1CC(C)(C)C1 ZINC000665764251 472179203 /nfs/dbraw/zinc/17/92/03/472179203.db2.gz ZGZDNXOTPDOGFN-HNNXBMFYSA-N 1 3 326.529 2.479 10 0 EEAEHO CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1CC(C)(C)C1 ZINC000665764251 472179210 /nfs/dbraw/zinc/17/92/10/472179210.db2.gz ZGZDNXOTPDOGFN-HNNXBMFYSA-N 1 3 326.529 2.479 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)CC[NH2+]1 ZINC000662658849 472191163 /nfs/dbraw/zinc/19/11/63/472191163.db2.gz KKTIJHBWYZGKIM-YTQUADARSA-N 1 3 329.488 2.150 10 0 EEAEHO CN(C)CCN(C(=O)c1cc(C2CC[NH2+]CC2)no1)c1ccccc1 ZINC000662698141 472213746 /nfs/dbraw/zinc/21/37/46/472213746.db2.gz ICILSHODHOQKLE-UHFFFAOYSA-N 1 3 342.443 2.350 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662793633 472253537 /nfs/dbraw/zinc/25/35/37/472253537.db2.gz KWZBELCQLSPAOR-HIFRSBDPSA-N 1 3 342.443 2.119 10 0 EEAEHO C[NH+](C)CCC[C@H]1CN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)CCO1 ZINC000662973631 472313634 /nfs/dbraw/zinc/31/36/34/472313634.db2.gz SVINEQQKZFKCFB-ROUUACIJSA-N 1 3 347.503 2.282 10 0 EEAEHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000675180185 485921099 /nfs/dbraw/zinc/92/10/99/485921099.db2.gz DVYTYQJEJZBBLO-RTBURBONSA-N 1 3 346.519 2.333 10 0 EEAEHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H]1CCCN(C)C1)[NH+](C)C ZINC000672754012 486185882 /nfs/dbraw/zinc/18/58/82/486185882.db2.gz HOUBUCLDZVNEJD-RYRKJORJSA-N 1 3 332.492 2.380 10 0 EEAEHO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(CN4CCCC4)c3)[C@@H]2C1 ZINC000425061576 536488552 /nfs/dbraw/zinc/48/85/52/536488552.db2.gz ZQPCOAAOUHUFOP-RBUKOAKNSA-N 1 3 327.472 2.449 10 0 EEAEHO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc(CN4CCCC4)c3)[C@@H]2C1 ZINC000425061576 536488553 /nfs/dbraw/zinc/48/85/53/536488553.db2.gz ZQPCOAAOUHUFOP-RBUKOAKNSA-N 1 3 327.472 2.449 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)OCC[NH+]3CCCCC3)cc2)CC1 ZINC000770382525 577595130 /nfs/dbraw/zinc/59/51/30/577595130.db2.gz OSRHIGWQEJJBJZ-UHFFFAOYSA-N 1 3 345.487 2.471 10 0 EEAEHO C[C@H]1C[NH+](Cc2ccc(-c3nc(C4(N)CC4)no3)cc2)C[C@H](C)O1 ZINC000905318999 694601198 /nfs/dbraw/zinc/60/11/98/694601198.db2.gz KNYQLIIKRNFZSC-STQMWFEESA-N 1 3 328.416 2.294 10 0 EEAEHO C[NH+](C)CCCCC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC001266767694 1177383698 /nfs/dbraw/zinc/38/36/98/1177383698.db2.gz QGCGNSOYFDZRCN-GOSISDBHSA-N 1 3 332.492 2.142 10 0 EEAEHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCOc1ccccc1)N(C)C ZINC001266877450 1177686577 /nfs/dbraw/zinc/68/65/77/1177686577.db2.gz DXYOEYHGTQJUKG-MJGOQNOKSA-N 1 3 347.503 2.376 10 0 EEAEHO Cc1ncccc1CNCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001266972611 1177951622 /nfs/dbraw/zinc/95/16/22/1177951622.db2.gz KVZHAMIAMOBFJU-UHFFFAOYSA-N 1 3 344.503 2.060 10 0 EEAEHO CN(CCNCc1cccc(F)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001691360093 1177967844 /nfs/dbraw/zinc/96/78/44/1177967844.db2.gz OAQNAFFRRPZFOZ-ROUUACIJSA-N 1 3 333.451 2.391 10 0 EEAEHO CN(CCNCc1cccc(F)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001691360093 1177967851 /nfs/dbraw/zinc/96/78/51/1177967851.db2.gz OAQNAFFRRPZFOZ-ROUUACIJSA-N 1 3 333.451 2.391 10 0 EEAEHO C[C@H](c1cnccn1)N(C)C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001267593497 1179589193 /nfs/dbraw/zinc/58/91/93/1179589193.db2.gz MAAMFGXSOHDZDR-IAGOWNOFSA-N 1 3 347.507 2.050 10 0 EEAEHO CN(CC[NH2+]Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1CCCN1C ZINC001481215525 1180294403 /nfs/dbraw/zinc/29/44/03/1180294403.db2.gz KKKQAZICDZMEFN-HNNXBMFYSA-N 1 3 343.393 2.348 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCc1cccc(F)c1 ZINC001267954037 1180828816 /nfs/dbraw/zinc/82/88/16/1180828816.db2.gz XPBSLZMPJSHTHF-MOPGFXCFSA-N 1 3 347.478 2.433 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001268290936 1182180333 /nfs/dbraw/zinc/18/03/33/1182180333.db2.gz LAXDYTHFGAOYAE-NEPJUHHUSA-N 1 3 332.370 2.088 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCN(CCOC(C)C)C2)C1 ZINC001481739439 1182458104 /nfs/dbraw/zinc/45/81/04/1182458104.db2.gz XYEIFBJYURMEIE-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCN(CCOC(C)C)C2)C1 ZINC001481739439 1182458112 /nfs/dbraw/zinc/45/81/12/1182458112.db2.gz XYEIFBJYURMEIE-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO CN(C(=O)CC[NH+](C)C)[C@@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC001481739858 1182460615 /nfs/dbraw/zinc/46/06/15/1182460615.db2.gz GFHRONHCRUKTNN-GOSISDBHSA-N 1 3 340.471 2.219 10 0 EEAEHO Cc1nc(C)c(CNCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC001268395153 1182464760 /nfs/dbraw/zinc/46/47/60/1182464760.db2.gz PUJZJSJFJKGKTL-WWGRRREGSA-N 1 3 336.480 2.006 10 0 EEAEHO Cc1nc(C)c(CNCC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC001268395153 1182464765 /nfs/dbraw/zinc/46/47/65/1182464765.db2.gz PUJZJSJFJKGKTL-WWGRRREGSA-N 1 3 336.480 2.006 10 0 EEAEHO C[C@@H](CCNCc1nsc2ccccc12)NC(=O)CC[NH+](C)C ZINC001268395386 1182465152 /nfs/dbraw/zinc/46/51/52/1182465152.db2.gz CRXDBOUKXUWAEK-ZDUSSCGKSA-N 1 3 334.489 2.232 10 0 EEAEHO Cc1ncoc1C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001482000967 1183115129 /nfs/dbraw/zinc/11/51/29/1183115129.db2.gz UHADWLBCWBLKCP-KRWDZBQOSA-N 1 3 348.491 2.186 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC/C=C\CN[C@@H]2CCc3c2cccc3F)CC[N@@H+]1C ZINC001268541746 1183212140 /nfs/dbraw/zinc/21/21/40/1183212140.db2.gz IWUDMFMEFMKUBZ-FZPJKSOWSA-N 1 3 345.462 2.415 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC/C=C\CN[C@@H]2CCc3c2cccc3F)CC[N@H+]1C ZINC001268541746 1183212144 /nfs/dbraw/zinc/21/21/44/1183212144.db2.gz IWUDMFMEFMKUBZ-FZPJKSOWSA-N 1 3 345.462 2.415 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001482068090 1183289953 /nfs/dbraw/zinc/28/99/53/1183289953.db2.gz CGLVDEILNOIPLD-KGLIPLIRSA-N 1 3 335.414 2.394 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NC/C=C/CNCc2ccc(F)c(F)c2)C1 ZINC001268614796 1183529689 /nfs/dbraw/zinc/52/96/89/1183529689.db2.gz YRZOMHMWWYZOJX-FAAWYNLUSA-N 1 3 337.414 2.069 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NC/C=C/CNCc2ccc(F)c(F)c2)C1 ZINC001268614796 1183529694 /nfs/dbraw/zinc/52/96/94/1183529694.db2.gz YRZOMHMWWYZOJX-FAAWYNLUSA-N 1 3 337.414 2.069 10 0 EEAEHO CN(CCC[NH2+]Cc1ccc(Cl)nc1)C(=O)[C@@H]1CCCCN1C ZINC001268802302 1183720138 /nfs/dbraw/zinc/72/01/38/1183720138.db2.gz PNMLJAXNIVUHHR-HNNXBMFYSA-N 1 3 338.883 2.157 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2ccns2)C1)N(C)C ZINC001269741736 1184575944 /nfs/dbraw/zinc/57/59/44/1184575944.db2.gz OQUBCLLLFCEPQG-GDBMZVCRSA-N 1 3 338.521 2.202 10 0 EEAEHO CCN(CCNCc1c(C)nsc1C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482950505 1187890939 /nfs/dbraw/zinc/89/09/39/1187890939.db2.gz UNUOLQLYYPAHPV-CYBMUJFWSA-N 1 3 338.521 2.040 10 0 EEAEHO CCN(CCNCc1c(C)nsc1C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482950505 1187890943 /nfs/dbraw/zinc/89/09/43/1187890943.db2.gz UNUOLQLYYPAHPV-CYBMUJFWSA-N 1 3 338.521 2.040 10 0 EEAEHO CC[C@H](C(=O)N1CCC([N@@H+](CC=C(C)C)CCOC)CC1)N(C)C ZINC001670994050 1193540660 /nfs/dbraw/zinc/54/06/60/1193540660.db2.gz LOZYHCGIEDKESC-GOSISDBHSA-N 1 3 339.524 2.232 10 0 EEAEHO CC[C@H](C(=O)N1CCC([N@H+](CC=C(C)C)CCOC)CC1)N(C)C ZINC001670994050 1193540662 /nfs/dbraw/zinc/54/06/62/1193540662.db2.gz LOZYHCGIEDKESC-GOSISDBHSA-N 1 3 339.524 2.232 10 0 EEAEHO CC(C)Oc1cccc(C[NH2+]C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)c1 ZINC001483166674 1188993327 /nfs/dbraw/zinc/99/33/27/1188993327.db2.gz NFSUNPPWBIAIRO-IAGOWNOFSA-N 1 3 347.503 2.410 10 0 EEAEHO Cc1ncc(C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C)s1 ZINC001483266732 1190291326 /nfs/dbraw/zinc/29/13/26/1190291326.db2.gz SKWLGSUDPNNBBO-LBPRGKRZSA-N 1 3 326.510 2.024 10 0 EEAEHO Cc1cc(CNC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)sn1 ZINC001483272439 1190296174 /nfs/dbraw/zinc/29/61/74/1190296174.db2.gz XQHPZSFTCFEEEO-HOCLYGCPSA-N 1 3 338.521 2.309 10 0 EEAEHO Cc1cc(CNC[C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)sn1 ZINC001483272439 1190296180 /nfs/dbraw/zinc/29/61/80/1190296180.db2.gz XQHPZSFTCFEEEO-HOCLYGCPSA-N 1 3 338.521 2.309 10 0 EEAEHO Cc1nsc(C)c1CNC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001483272009 1190296436 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YNCJWNCJINUZBZ-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CN(CCC[NH2+][C@H]1CCc2ccc(F)cc21)C(=O)[C@@H]1CCCN1C ZINC001275914900 1205583709 /nfs/dbraw/zinc/58/37/09/1205583709.db2.gz GOFSPWWTEJXBCQ-ROUUACIJSA-N 1 3 333.451 2.345 10 0 EEAEHO Cc1nc(C)c(CNCCCN(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)o1 ZINC001276070634 1205760046 /nfs/dbraw/zinc/76/00/46/1205760046.db2.gz JSZNXKVNNSHZMA-IAGOWNOFSA-N 1 3 348.491 2.246 10 0 EEAEHO Cc1nc(C)c(CNCCCN(C)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)o1 ZINC001276070634 1205760047 /nfs/dbraw/zinc/76/00/47/1205760047.db2.gz JSZNXKVNNSHZMA-IAGOWNOFSA-N 1 3 348.491 2.246 10 0 EEAEHO CCN1CCN(CCC[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000924658061 1206012449 /nfs/dbraw/zinc/01/24/49/1206012449.db2.gz JPGKROWSPQKPRR-QUCCMNQESA-N 1 3 330.520 2.410 10 0 EEAEHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CCN(C(=O)CCc3ccccc3)C1)[NH2+]2 ZINC000925551064 1206126613 /nfs/dbraw/zinc/12/66/13/1206126613.db2.gz DYULUGLTTRVOHO-ZKIDJSGLSA-N 1 3 341.499 2.339 10 0 EEAEHO 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EEAEHO N[C@@H]1CN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC[C@H]1F ZINC000851657107 1277704152 /nfs/dbraw/zinc/70/41/52/1277704152.db2.gz VDCUHSYHGLJDFG-IAGOWNOFSA-N 1 3 340.487 2.112 10 0 EEAEHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931377329 1297165641 /nfs/dbraw/zinc/16/56/41/1297165641.db2.gz WCDRLUQLYRLUCN-JKSUJKDBSA-N 1 3 330.476 2.443 10 0 EEAEHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931377329 1297165648 /nfs/dbraw/zinc/16/56/48/1297165648.db2.gz WCDRLUQLYRLUCN-JKSUJKDBSA-N 1 3 330.476 2.443 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)CCCN[C@@H](C)c1cnccn1)[NH+]1CCCC1 ZINC001276404655 1315592202 /nfs/dbraw/zinc/59/22/02/1315592202.db2.gz KDRRPJZFWXZEQY-FUHWJXTLSA-N 1 3 347.507 2.096 10 0 EEAEHO O[C@@H](C[NH2+]C[C@H](O)CN1CCCCC1)c1ccccc1C(F)(F)F ZINC000843061627 1315832747 /nfs/dbraw/zinc/83/27/47/1315832747.db2.gz GVRHADIQMMCIEX-BBRMVZONSA-N 1 3 346.393 2.175 10 0 EEAEHO CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001264194957 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CC(C)OCC[NH2+]C1CCC(N(C)C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001282269280 1325673160 /nfs/dbraw/zinc/67/31/60/1325673160.db2.gz BIOZDGWTCSWNTF-DAWZGUTISA-N 1 3 341.540 2.357 10 0 EEAEHO CCOCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001283939544 1326329209 /nfs/dbraw/zinc/32/92/09/1326329209.db2.gz MVEFEGAYBIMLNO-QFBILLFUSA-N 1 3 347.503 2.367 10 0 EEAEHO CN(CC(=O)N1CC[C@@H](C[NH2+]Cc2cncs2)C1)CC(C)(C)C ZINC001491834536 1330268595 /nfs/dbraw/zinc/26/85/95/1330268595.db2.gz IRIWKVHJYYZZCB-AWEZNQCLSA-N 1 3 338.521 2.059 10 0 EEAEHO Cc1ncccc1CN(C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001316870177 1331940974 /nfs/dbraw/zinc/94/09/74/1331940974.db2.gz NGVUFPBEFXPEDO-HOTGVXAUSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001317284938 1332164711 /nfs/dbraw/zinc/16/47/11/1332164711.db2.gz NPRDHUTUIIZXRS-HNNXBMFYSA-N 1 3 328.460 2.296 10 0 EEAEHO CCN(CCNCc1cccnc1C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001320862133 1332967185 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CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(N(C)C)c2)C1)N(C)C ZINC001436388590 1342066013 /nfs/dbraw/zinc/06/60/13/1342066013.db2.gz DNSIOQJLTGDGOO-LNLFQRSKSA-N 1 3 346.519 2.077 10 0 EEAEHO COCCCN1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001566628668 1342584988 /nfs/dbraw/zinc/58/49/88/1342584988.db2.gz BZMVCVYTRCOWPM-LJQANCHMSA-N 1 3 347.503 2.021 10 0 EEAEHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CCNCCF)Cc1ccccc1 ZINC001569871116 1342963669 /nfs/dbraw/zinc/96/36/69/1342963669.db2.gz WOVGZWQXSIPNMF-IAGOWNOFSA-N 1 3 335.467 2.447 10 0 EEAEHO COCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001570177527 1343026129 /nfs/dbraw/zinc/02/61/29/1343026129.db2.gz NSVLIXKZWCKHML-MSOLQXFVSA-N 1 3 339.524 2.257 10 0 EEAEHO COCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001570177527 1343026135 /nfs/dbraw/zinc/02/61/35/1343026135.db2.gz NSVLIXKZWCKHML-MSOLQXFVSA-N 1 3 339.524 2.257 10 0 EEAEHO CCCCOCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001571464160 1343213801 /nfs/dbraw/zinc/21/38/01/1343213801.db2.gz IFFOGPABFPIQAU-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CCOCCN1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC001571527561 1343228747 /nfs/dbraw/zinc/22/87/47/1343228747.db2.gz ZTURXVSOXNGDPM-LPHOPBHVSA-N 1 3 347.503 2.367 10 0 EEAEHO COCCC[NH2+]C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C(C)(C)C ZINC001571634372 1343255922 /nfs/dbraw/zinc/25/59/22/1343255922.db2.gz HIDKWPJCYXYQAS-SJORKVTESA-N 1 3 341.540 2.408 10 0 EEAEHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CCCC2CCOCC2)C1)N(C)C ZINC001677427767 1357331099 /nfs/dbraw/zinc/33/10/99/1357331099.db2.gz ZKFFSJBLTQUHJU-ABHNRTSZSA-N 1 3 339.524 2.112 10 0 EEAEHO CCOCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001656353478 1354225175 /nfs/dbraw/zinc/22/51/75/1354225175.db2.gz DGUPCYZPWMSACN-OKZBNKHCSA-N 1 3 339.524 2.162 10 0 EEAEHO CCOCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001661235641 1354615218 /nfs/dbraw/zinc/61/52/18/1354615218.db2.gz LWNNWYHGLRDLEO-QZTJIDSGSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001661235641 1354615222 /nfs/dbraw/zinc/61/52/22/1354615222.db2.gz LWNNWYHGLRDLEO-QZTJIDSGSA-N 1 3 339.524 2.068 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCOc1ccccc1 ZINC001662351481 1354784905 /nfs/dbraw/zinc/78/49/05/1354784905.db2.gz WJSUWJJFSCUAEH-MJGOQNOKSA-N 1 3 347.503 2.423 10 0 EEAEHO CCN(CCNCc1cccnc1C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001668614168 1355972752 /nfs/dbraw/zinc/97/27/52/1355972752.db2.gz MLMPAYUGNPNMEE-IEBWSBKVSA-N 1 3 346.519 2.449 10 0 EEAEHO COCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001672246255 1356487521 /nfs/dbraw/zinc/48/75/21/1356487521.db2.gz GWEFHCHWPYXZSS-VQIMIIECSA-N 1 3 347.503 2.225 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CCc2ccccc2F)C1 ZINC001672326830 1356502132 /nfs/dbraw/zinc/50/21/32/1356502132.db2.gz FKDSKNXNNSLSGO-FUHWJXTLSA-N 1 3 349.494 2.394 10 0 EEAEHO COCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001672536389 1356548219 /nfs/dbraw/zinc/54/82/19/1356548219.db2.gz AJHRJLRHHKBKAS-HZPDHXFCSA-N 1 3 348.491 2.179 10 0 EEAEHO COCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001672536389 1356548222 /nfs/dbraw/zinc/54/82/22/1356548222.db2.gz AJHRJLRHHKBKAS-HZPDHXFCSA-N 1 3 348.491 2.179 10 0 EEAEHO Cc1nocc1CNCC[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001672809501 1356588878 /nfs/dbraw/zinc/58/88/78/1356588878.db2.gz CIHGQBKVUQBOAD-SJLPKXTDSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1nocc1CNCC[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001672809501 1356588882 /nfs/dbraw/zinc/58/88/82/1356588882.db2.gz CIHGQBKVUQBOAD-SJLPKXTDSA-N 1 3 348.491 2.186 10 0 EEAEHO COc1cccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001672839681 1356597349 /nfs/dbraw/zinc/59/73/49/1356597349.db2.gz PABCQZNEHWVNSJ-QFBILLFUSA-N 1 3 345.487 2.118 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CCc2cccs2)C1)N(C)C ZINC001672897699 1356610014 /nfs/dbraw/zinc/61/00/14/1356610014.db2.gz VDFWXIYRAFPXFX-WBVHZDCISA-N 1 3 337.533 2.459 10 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EEAEHO CC[C@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]Cc1cccnc1C ZINC001438308402 1090786955 /nfs/dbraw/zinc/78/69/55/1090786955.db2.gz XMQCEUSZYWMFEY-QZTJIDSGSA-N 1 3 332.492 2.247 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)NCc1cncs1 ZINC001438380139 1090863453 /nfs/dbraw/zinc/86/34/53/1090863453.db2.gz VRIOOUQSBLFQCN-GDBMZVCRSA-N 1 3 338.521 2.248 10 0 EEAEHO Cc1ccc(F)c(CNC[C@@](C)(NC(=O)CC[NH+](C)C)C2CC2)c1 ZINC001438423477 1090919075 /nfs/dbraw/zinc/91/90/75/1090919075.db2.gz ZCMUUNTVEJFWDG-LJQANCHMSA-N 1 3 335.467 2.460 10 0 EEAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CC1CC(F)(F)C1 ZINC001438517502 1091010005 /nfs/dbraw/zinc/01/00/05/1091010005.db2.gz GLDHHNQEHDFKDY-CYBMUJFWSA-N 1 3 331.451 2.248 10 0 EEAEHO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C)cc1Cl ZINC001445500658 1091277947 /nfs/dbraw/zinc/27/79/47/1091277947.db2.gz KIEQPSGHYQMBRS-CYBMUJFWSA-N 1 3 341.883 2.283 10 0 EEAEHO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](CNC/C(Cl)=C/Cl)C1CC1 ZINC001445948106 1091888082 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Cc1ncccc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001440113230 1093174253 /nfs/dbraw/zinc/17/42/53/1093174253.db2.gz DDOAWWLJIVYLGJ-FUHWJXTLSA-N 1 3 332.492 2.057 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN(Cc1oc(C)nc1C)CC2 ZINC001440238246 1093323249 /nfs/dbraw/zinc/32/32/49/1093323249.db2.gz IZANSZFBCKTIBL-UHFFFAOYSA-N 1 3 348.491 2.058 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(Cc1oc(C)nc1C)CC2 ZINC001440238246 1093323255 /nfs/dbraw/zinc/32/32/55/1093323255.db2.gz IZANSZFBCKTIBL-UHFFFAOYSA-N 1 3 348.491 2.058 10 0 EEAEHO Cc1cccnc1CN[C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001448659141 1093726993 /nfs/dbraw/zinc/72/69/93/1093726993.db2.gz QSBBFSTYLUWNAU-FUHWJXTLSA-N 1 3 332.492 2.199 10 0 EEAEHO Cc1cccnc1CN[C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001448659141 1093726995 /nfs/dbraw/zinc/72/69/95/1093726995.db2.gz QSBBFSTYLUWNAU-FUHWJXTLSA-N 1 3 332.492 2.199 10 0 EEAEHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)CCc1ccccc1F ZINC001440923102 1094176712 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Cc1ncccc1C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001479674747 1098725948 /nfs/dbraw/zinc/72/59/48/1098725948.db2.gz PDBCZQOQGPFWLZ-MOPGFXCFSA-N 1 3 344.503 2.011 10 0 EEAEHO Cc1ncccc1C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001479674747 1098725954 /nfs/dbraw/zinc/72/59/54/1098725954.db2.gz PDBCZQOQGPFWLZ-MOPGFXCFSA-N 1 3 344.503 2.011 10 0 EEAEHO Cc1ncccc1CN(C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001479816293 1099087821 /nfs/dbraw/zinc/08/78/21/1099087821.db2.gz SHQODSZGFAJAIS-UHFFFAOYSA-N 1 3 332.492 2.204 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(CCCOC(C)C)C2)CC[N@@H+]1C ZINC001479903806 1099287083 /nfs/dbraw/zinc/28/70/83/1099287083.db2.gz ICPVUEYQSQXSBR-FGTMMUONSA-N 1 3 339.524 2.112 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(CCCOC(C)C)C2)CC[N@H+]1C ZINC001479903806 1099287090 /nfs/dbraw/zinc/28/70/90/1099287090.db2.gz ICPVUEYQSQXSBR-FGTMMUONSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](NCc1ccc(F)cn1)C1CC1 ZINC001480021263 1099499787 /nfs/dbraw/zinc/49/97/87/1099499787.db2.gz YGKXBHYEMGLHNT-QZTJIDSGSA-N 1 3 348.466 2.078 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](NCc1ccc(F)cn1)C1CC1 ZINC001480021263 1099499791 /nfs/dbraw/zinc/49/97/91/1099499791.db2.gz YGKXBHYEMGLHNT-QZTJIDSGSA-N 1 3 348.466 2.078 10 0 EEAEHO Cc1ncccc1C[NH2+]C[C@H](CC(C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001444765489 1099659054 /nfs/dbraw/zinc/65/90/54/1099659054.db2.gz YKSFGGSKSBQBNP-APWZRJJASA-N 1 3 346.519 2.352 10 0 EEAEHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC001480237543 1099867742 /nfs/dbraw/zinc/86/77/42/1099867742.db2.gz CIGPUGZPGMMAEK-XLAORIBOSA-N 1 3 345.487 2.175 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCN(Cc3ccsc3)C2)C1 ZINC001480267576 1099963268 /nfs/dbraw/zinc/96/32/68/1099963268.db2.gz NWRPODJTZFNCOP-CVEARBPZSA-N 1 3 335.517 2.418 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCN(Cc3ccsc3)C2)C1 ZINC001480267576 1099963288 /nfs/dbraw/zinc/96/32/88/1099963288.db2.gz NWRPODJTZFNCOP-CVEARBPZSA-N 1 3 335.517 2.418 10 0 EEAEHO CC(C)N(C)CC(=O)NC1(C)CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001446478643 1100907567 /nfs/dbraw/zinc/90/75/67/1100907567.db2.gz SGPJIHMRDYVFMO-QGZVFWFLSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]C[C@H]1CCOC1 ZINC001496561372 1101162484 /nfs/dbraw/zinc/16/24/84/1101162484.db2.gz JVPQXTPCDJFLQU-IAGOWNOFSA-N 1 3 339.524 2.018 10 0 EEAEHO C[C@@H](F)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001446724147 1101294704 /nfs/dbraw/zinc/29/47/04/1101294704.db2.gz DUKCRSNSAOAGDQ-KGLIPLIRSA-N 1 3 349.441 2.292 10 0 EEAEHO C[C@@H](F)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001446724147 1101294707 /nfs/dbraw/zinc/29/47/07/1101294707.db2.gz DUKCRSNSAOAGDQ-KGLIPLIRSA-N 1 3 349.441 2.292 10 0 EEAEHO CCC1([NH2+]Cc2cccnc2C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001447415423 1102615101 /nfs/dbraw/zinc/61/51/01/1102615101.db2.gz QSCTUZAIRNUFNP-SFHVURJKSA-N 1 3 344.503 2.345 10 0 EEAEHO CCC1(NCc2cc(C)on2)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001447431979 1102643467 /nfs/dbraw/zinc/64/34/67/1102643467.db2.gz XKEJELLLNIJXST-HNNXBMFYSA-N 1 3 348.491 2.186 10 0 EEAEHO CCC1(NCc2cc(C)on2)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001447431979 1102643473 /nfs/dbraw/zinc/64/34/73/1102643473.db2.gz XKEJELLLNIJXST-HNNXBMFYSA-N 1 3 348.491 2.186 10 0 EEAEHO CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cccc2cccnc21)N(C)C ZINC001497682017 1102894099 /nfs/dbraw/zinc/89/40/99/1102894099.db2.gz XWLNYOAWNSWHRB-XFHJGTJQSA-N 1 3 340.471 2.337 10 0 EEAEHO C[C@H](CNCc1csc(Br)c1)NC(=O)CC[NH+](C)C ZINC001497901200 1103287173 /nfs/dbraw/zinc/28/71/73/1103287173.db2.gz ZBNUOXUBAZYXAZ-SNVBAGLBSA-N 1 3 348.310 2.057 10 0 EEAEHO Cc1ncsc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001497927024 1103349658 /nfs/dbraw/zinc/34/96/58/1103349658.db2.gz RNLOXUUASXQCRC-HIFRSBDPSA-N 1 3 338.521 2.309 10 0 EEAEHO CO[C@H](C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCC1)C1CCC1 ZINC001448073250 1103942219 /nfs/dbraw/zinc/94/22/19/1103942219.db2.gz ZKICRZZIVGKTCJ-DOTOQJQBSA-N 1 3 339.524 2.112 10 0 EEAEHO CO[C@H](C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCC1)C1CCC1 ZINC001448073250 1103942237 /nfs/dbraw/zinc/94/22/37/1103942237.db2.gz ZKICRZZIVGKTCJ-DOTOQJQBSA-N 1 3 339.524 2.112 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC1CC(F)(F)C1 ZINC001494985978 1104629278 /nfs/dbraw/zinc/62/92/78/1104629278.db2.gz CMJHSIWIOIVGNI-GJZGRUSLSA-N 1 3 331.451 2.391 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@H](C)NCc2conc2C)C1 ZINC001480786307 1107115738 /nfs/dbraw/zinc/11/57/38/1107115738.db2.gz MPPHBYFFBXDYEQ-HOCLYGCPSA-N 1 3 336.480 2.089 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)NCC[C@H](C)NCc2conc2C)C1 ZINC001480786307 1107115740 /nfs/dbraw/zinc/11/57/40/1107115740.db2.gz MPPHBYFFBXDYEQ-HOCLYGCPSA-N 1 3 336.480 2.089 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1scnc1C ZINC001498656877 1107908620 /nfs/dbraw/zinc/90/86/20/1107908620.db2.gz CPXVICVXCDPWNM-OAHLLOKOSA-N 1 3 338.521 2.264 10 0 EEAEHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1)N(C)C ZINC001479409990 1110693286 /nfs/dbraw/zinc/69/32/86/1110693286.db2.gz YUIGFLIGBIWCHV-KLHDSHLOSA-N 1 3 345.478 2.492 10 0 EEAEHO C[C@H]1C[C@@H](NCc2c(F)cccc2F)CCN1C(=O)CC[NH+](C)C ZINC001499844650 1112509862 /nfs/dbraw/zinc/50/98/62/1112509862.db2.gz PAJKQNJMHZEPFU-KBPBESRZSA-N 1 3 339.430 2.386 10 0 EEAEHO C[C@H](F)CC[N@@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001500502692 1112894191 /nfs/dbraw/zinc/89/41/91/1112894191.db2.gz ZEWWOWALBPRKDU-DOTOQJQBSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@H](F)CC[N@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001500502692 1112894194 /nfs/dbraw/zinc/89/41/94/1112894194.db2.gz ZEWWOWALBPRKDU-DOTOQJQBSA-N 1 3 327.488 2.437 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2cnccc2C)C(C)(C)C1 ZINC001507449977 1115276503 /nfs/dbraw/zinc/27/65/03/1115276503.db2.gz AGKATSRBYRZJQF-QGZVFWFLSA-N 1 3 332.492 2.058 10 0 EEAEHO CC[C@H](C[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)CC1)OC ZINC001508083185 1115415621 /nfs/dbraw/zinc/41/56/21/1115415621.db2.gz OOSFFYTWGHTAMX-CGTJXYLNSA-N 1 3 341.540 2.214 10 0 EEAEHO C[C@H](CC[NH2+]CCC1CC1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001568678495 1124690325 /nfs/dbraw/zinc/69/03/25/1124690325.db2.gz SFVHNVHVBWPFKC-RDTXWAMCSA-N 1 3 327.488 2.483 10 0 EEAEHO COc1cc(C[NH2+]C/C=C\CNC(=O)CN2CC[C@@H](C)C2)ccc1C ZINC001568919854 1124947247 /nfs/dbraw/zinc/94/72/47/1124947247.db2.gz JWBGGDSNSIJRLK-YIEVGGLXSA-N 1 3 345.487 2.107 10 0 EEAEHO CN(C)C1(C(=O)N(C)CCC[NH2+]Cc2cc(F)cc(F)c2)CCC1 ZINC001569209383 1125165781 /nfs/dbraw/zinc/16/57/81/1125165781.db2.gz CKLVWRRYAQVBQJ-UHFFFAOYSA-N 1 3 339.430 2.387 10 0 EEAEHO Cc1cnc(CNCCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)s1 ZINC001569268997 1125208649 /nfs/dbraw/zinc/20/86/49/1125208649.db2.gz OQSKVOPXDQLIEC-KBPBESRZSA-N 1 3 338.521 2.262 10 0 EEAEHO c1ccc(CN2CCN(CCCC[NH2+][C@H]3CCCOC3)CC2)cc1 ZINC000163934272 539537689 /nfs/dbraw/zinc/53/76/89/539537689.db2.gz SVPCHDGHLPBOKU-FQEVSTJZSA-N 1 3 331.504 2.353 10 0 EEAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000181306945 539584011 /nfs/dbraw/zinc/58/40/11/539584011.db2.gz UTLWNTZVBNTMOV-WMZOPIPTSA-N 1 3 332.492 2.148 10 0 EEAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000181306945 539584013 /nfs/dbraw/zinc/58/40/13/539584013.db2.gz UTLWNTZVBNTMOV-WMZOPIPTSA-N 1 3 332.492 2.148 10 0 EEAEHO COc1ccc(CCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000422726047 240195398 /nfs/dbraw/zinc/19/53/98/240195398.db2.gz ZCJHRQHFJXLRGY-OKZBNKHCSA-N 1 3 348.487 2.383 10 0 EEAEHO Fc1cc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc(F)c1F ZINC000423051089 240343878 /nfs/dbraw/zinc/34/38/78/240343878.db2.gz ZVDJPTCWAZYWNR-VBNZEHGJSA-N 1 3 328.378 2.393 10 0 EEAEHO C[C@H](NCCCN1CC[NH2+]CC1)c1cc(-c2ccccc2)nn1C ZINC000423175445 240393456 /nfs/dbraw/zinc/39/34/56/240393456.db2.gz AMSITSBINRUJNF-INIZCTEOSA-N 1 3 327.476 2.033 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2N(C)CCCC2(C)C)[C@@H](C)C1 ZINC000448252767 242383946 /nfs/dbraw/zinc/38/39/46/242383946.db2.gz RPXSRKLUJMULFF-YESZJQIVSA-N 1 3 338.540 2.479 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2N(C)CCCC2(C)C)[C@@H](C)C1 ZINC000448252767 242383949 /nfs/dbraw/zinc/38/39/49/242383949.db2.gz RPXSRKLUJMULFF-YESZJQIVSA-N 1 3 338.540 2.479 10 0 EEAEHO COCCN(C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000268829460 252279200 /nfs/dbraw/zinc/27/92/00/252279200.db2.gz QIXOVZWRJSQUHU-AZUAARDMSA-N 1 3 333.520 2.455 10 0 EEAEHO CC[C@H](C)N1CCN(c2ncc(Br)cc2C[NH2+]C)CC1 ZINC000055073462 132193896 /nfs/dbraw/zinc/19/38/96/132193896.db2.gz PODPFHQMMQIARM-LBPRGKRZSA-N 1 3 341.297 2.484 10 0 EEAEHO C[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000110702331 159362290 /nfs/dbraw/zinc/36/22/90/159362290.db2.gz NTSRYWMVRIRAFU-FXAWDEMLSA-N 1 3 343.515 2.492 10 0 EEAEHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000245652851 160246003 /nfs/dbraw/zinc/24/60/03/160246003.db2.gz CCQNFDPVINEHEC-ZWKOTPCHSA-N 1 3 334.508 2.297 10 0 EEAEHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000245652851 160246004 /nfs/dbraw/zinc/24/60/04/160246004.db2.gz CCQNFDPVINEHEC-ZWKOTPCHSA-N 1 3 334.508 2.297 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352428335 162131517 /nfs/dbraw/zinc/13/15/17/162131517.db2.gz CYXBWFOPTNBELJ-SLFFLAALSA-N 1 3 341.499 2.451 10 0 EEAEHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000360434458 164309635 /nfs/dbraw/zinc/30/96/35/164309635.db2.gz XVQNFXQASPTXPF-UONOGXRCSA-N 1 3 325.478 2.051 10 0 EEAEHO CN(C)CCOc1cc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)ccn1 ZINC000245863297 276792581 /nfs/dbraw/zinc/79/25/81/276792581.db2.gz IETQOXZNXBYQEB-KBAYOESNSA-N 1 3 333.476 2.315 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000050802263 277027189 /nfs/dbraw/zinc/02/71/89/277027189.db2.gz VOKSIPCZLMCHJY-HNNXBMFYSA-N 1 3 348.318 2.245 10 0 EEAEHO CN1CC[C@]2(C1)CCC[N@H+](Cc1cc3ccccc3n(C)c1=O)C2 ZINC000067880394 277184529 /nfs/dbraw/zinc/18/45/29/277184529.db2.gz YIGAORBMVJKRSY-FQEVSTJZSA-N 1 3 325.456 2.456 10 0 EEAEHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1cc3ccccc3n(C)c1=O)C2 ZINC000067880394 277184532 /nfs/dbraw/zinc/18/45/32/277184532.db2.gz YIGAORBMVJKRSY-FQEVSTJZSA-N 1 3 325.456 2.456 10 0 EEAEHO CN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@H]1CCN(C2CC2)C1 ZINC000349664091 289280097 /nfs/dbraw/zinc/28/00/97/289280097.db2.gz GEPIIPHAYUXRCX-ROUUACIJSA-N 1 3 336.524 2.375 10 0 EEAEHO CN(C)[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000416808438 313322030 /nfs/dbraw/zinc/32/20/30/313322030.db2.gz OVRJWSGPNIURJH-UJJTZGENSA-N 1 3 330.476 2.214 10 0 EEAEHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000417181574 313442684 /nfs/dbraw/zinc/44/26/84/313442684.db2.gz IDLSFHOJQGGTCL-JQHSSLGASA-N 1 3 332.492 2.071 10 0 EEAEHO O[C@@H](CNCCc1ccc(OCC[NH+]2CCCC2)cc1)C(F)(F)F ZINC000520569084 316867420 /nfs/dbraw/zinc/86/74/20/316867420.db2.gz STLRKPPBOIOFLF-INIZCTEOSA-N 1 3 346.393 2.217 10 0 EEAEHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000563559519 319023468 /nfs/dbraw/zinc/02/34/68/319023468.db2.gz RUMGQYIZWNPYBC-MAUKXSAKSA-N 1 3 344.503 2.121 10 0 EEAEHO Cc1cc([C@@H](C)NCC2([NH+]3CCCCC3)CCN(C)CC2)nn1C ZINC000337452014 465378675 /nfs/dbraw/zinc/37/86/75/465378675.db2.gz IDMUZZJWIMDLIK-QGZVFWFLSA-N 1 3 333.524 2.329 10 0 EEAEHO Cc1cc([C@@H](C)NCC2(N3CCCCC3)CC[NH+](C)CC2)nn1C ZINC000337452014 465378679 /nfs/dbraw/zinc/37/86/79/465378679.db2.gz IDMUZZJWIMDLIK-QGZVFWFLSA-N 1 3 333.524 2.329 10 0 EEAEHO CC[NH+]1CCC(CCNC(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000074734241 462628073 /nfs/dbraw/zinc/62/80/73/462628073.db2.gz IPFNXCMVMDPOFR-GOSISDBHSA-N 1 3 336.524 2.378 10 0 EEAEHO C[N@@H+]1CC[C@H](NCCN2CCN(c3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000552238968 468319489 /nfs/dbraw/zinc/31/94/89/468319489.db2.gz XIMAYQWWGXSBIJ-HKBOAZHASA-N 1 3 342.531 2.271 10 0 EEAEHO C[N@H+]1CC[C@H](NCCN2CCN(c3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000552238968 468319493 /nfs/dbraw/zinc/31/94/93/468319493.db2.gz XIMAYQWWGXSBIJ-HKBOAZHASA-N 1 3 342.531 2.271 10 0 EEAEHO Cc1ccc([C@H](C)CNC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000077838781 463059616 /nfs/dbraw/zinc/05/96/16/463059616.db2.gz YJANUFLECVKUEP-QGZVFWFLSA-N 1 3 334.508 2.233 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000069740498 463315635 /nfs/dbraw/zinc/31/56/35/463315635.db2.gz HVUPOJOCNCOXOH-MSOLQXFVSA-N 1 3 345.487 2.326 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000069740498 463315644 /nfs/dbraw/zinc/31/56/44/463315644.db2.gz HVUPOJOCNCOXOH-MSOLQXFVSA-N 1 3 345.487 2.326 10 0 EEAEHO Cc1nccn1CCCCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000161718574 463453044 /nfs/dbraw/zinc/45/30/44/463453044.db2.gz GNCCERSXRXIZFL-LJQANCHMSA-N 1 3 333.524 2.074 10 0 EEAEHO Cc1nccn1CCCCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000161718574 463453048 /nfs/dbraw/zinc/45/30/48/463453048.db2.gz GNCCERSXRXIZFL-LJQANCHMSA-N 1 3 333.524 2.074 10 0 EEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000073722874 463648279 /nfs/dbraw/zinc/64/82/79/463648279.db2.gz BMJHJFBXDFRLNY-IRXDYDNUSA-N 1 3 326.529 2.479 10 0 EEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000073722874 463648282 /nfs/dbraw/zinc/64/82/82/463648282.db2.gz BMJHJFBXDFRLNY-IRXDYDNUSA-N 1 3 326.529 2.479 10 0 EEAEHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3(N)CCOCC3)cc2)C1 ZINC000261890950 463890238 /nfs/dbraw/zinc/89/02/38/463890238.db2.gz QLZGVNPFWUTOEV-INIZCTEOSA-N 1 3 345.487 2.043 10 0 EEAEHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3(N)CCOCC3)cc2)C1 ZINC000261890950 463890241 /nfs/dbraw/zinc/89/02/41/463890241.db2.gz QLZGVNPFWUTOEV-INIZCTEOSA-N 1 3 345.487 2.043 10 0 EEAEHO C[C@H]1CN(Cc2cccc3c2NCC3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000261940745 463905965 /nfs/dbraw/zinc/90/59/65/463905965.db2.gz MRBAEDMFVAHQEU-QFBILLFUSA-N 1 3 328.504 2.112 10 0 EEAEHO C[C@H](CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)[N@H+](C)C1CC1 ZINC000179192683 464077757 /nfs/dbraw/zinc/07/77/57/464077757.db2.gz VSUSJOKTINCQAI-FHLIZLRMSA-N 1 3 330.476 2.214 10 0 EEAEHO C[C@H](CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)[N@@H+](C)C1CC1 ZINC000179192683 464077760 /nfs/dbraw/zinc/07/77/60/464077760.db2.gz VSUSJOKTINCQAI-FHLIZLRMSA-N 1 3 330.476 2.214 10 0 EEAEHO CC[N@@H+]1CC[C@@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000264454726 464332253 /nfs/dbraw/zinc/33/22/53/464332253.db2.gz HLDALSSDKZNYNT-SFHVURJKSA-N 1 3 329.488 2.357 10 0 EEAEHO CC[N@H+]1CC[C@@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000264454726 464332260 /nfs/dbraw/zinc/33/22/60/464332260.db2.gz HLDALSSDKZNYNT-SFHVURJKSA-N 1 3 329.488 2.357 10 0 EEAEHO COc1ccc(C[C@H](C)NCC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000353671141 466056525 /nfs/dbraw/zinc/05/65/25/466056525.db2.gz MYZGHGRIMUUBOM-KRWDZBQOSA-N 1 3 347.503 2.208 10 0 EEAEHO C[C@@H]1C[N@H+](CCOc2ccc(F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000372334302 466309706 /nfs/dbraw/zinc/30/97/06/466309706.db2.gz UWPTWFVKVZCRLT-APWZRJJASA-N 1 3 335.467 2.162 10 0 EEAEHO C[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000372334302 466309711 /nfs/dbraw/zinc/30/97/11/466309711.db2.gz UWPTWFVKVZCRLT-APWZRJJASA-N 1 3 335.467 2.162 10 0 EEAEHO CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCN(C2CC2)C1 ZINC000361851498 466348069 /nfs/dbraw/zinc/34/80/69/466348069.db2.gz WRVWQXGMQPANRF-GOSISDBHSA-N 1 3 334.508 2.272 10 0 EEAEHO Brc1cccc2c1C[C@@H]([NH2+]C[C@H]1CNCCCO1)CC2 ZINC000423495551 466758350 /nfs/dbraw/zinc/75/83/50/466758350.db2.gz URMSTWDGGWGHBV-UONOGXRCSA-N 1 3 339.277 2.275 10 0 EEAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000417050914 466765342 /nfs/dbraw/zinc/76/53/42/466765342.db2.gz YILDMZHZGZLOJR-RBSFLKMASA-N 1 3 346.466 2.041 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C1 ZINC000417220302 466806470 /nfs/dbraw/zinc/80/64/70/466806470.db2.gz LGRXBHSPPNOXNR-HHXXYDBFSA-N 1 3 342.487 2.358 10 0 EEAEHO C[C@H]1CC2(CN1CC(=O)N1CCC[C@H](C(F)(F)F)C1)CC[NH2+]CC2 ZINC000424291377 467023105 /nfs/dbraw/zinc/02/31/05/467023105.db2.gz NTABCXQVKVANJJ-KBPBESRZSA-N 1 3 347.425 2.251 10 0 EEAEHO CC[NH2+][C@H](C)CNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418047346 467032641 /nfs/dbraw/zinc/03/26/41/467032641.db2.gz SDRIUEWQQASMQD-APWZRJJASA-N 1 3 332.492 2.338 10 0 EEAEHO CCCN(C(=O)NCCC[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418311166 467091366 /nfs/dbraw/zinc/09/13/66/467091366.db2.gz LFCNLCLJMOCUTG-SFHVURJKSA-N 1 3 332.492 2.421 10 0 EEAEHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418701500 467147833 /nfs/dbraw/zinc/14/78/33/467147833.db2.gz GLRLBAMDKYCACY-ZWOKBUDYSA-N 1 3 344.503 2.420 10 0 EEAEHO CN(C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418764629 467156809 /nfs/dbraw/zinc/15/68/09/467156809.db2.gz KZIIUQPQMCKRCV-KSZLIROESA-N 1 3 330.476 2.030 10 0 EEAEHO C[C@H](CO)N(C)Cc1cc(C[N@H+](C)[C@H](C)CO)cc(C(F)(F)F)c1 ZINC000450933614 467209934 /nfs/dbraw/zinc/20/99/34/467209934.db2.gz CDYKPFPFCVYNNU-CHWSQXEVSA-N 1 3 348.409 2.331 10 0 EEAEHO C[C@H](CO)N(C)Cc1cc(C[N@@H+](C)[C@H](C)CO)cc(C(F)(F)F)c1 ZINC000450933614 467209935 /nfs/dbraw/zinc/20/99/35/467209935.db2.gz CDYKPFPFCVYNNU-CHWSQXEVSA-N 1 3 348.409 2.331 10 0 EEAEHO CCN1CC[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000414303503 467400919 /nfs/dbraw/zinc/40/09/19/467400919.db2.gz LMUUHWBUWVNDFS-AZUAARDMSA-N 1 3 345.531 2.333 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528716734 467736334 /nfs/dbraw/zinc/73/63/34/467736334.db2.gz WFHIPJOKDFZIRH-CQSZACIVSA-N 1 3 332.448 2.165 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528716734 467736339 /nfs/dbraw/zinc/73/63/39/467736339.db2.gz WFHIPJOKDFZIRH-CQSZACIVSA-N 1 3 332.448 2.165 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C2CCC2)cn1 ZINC000515997271 468009833 /nfs/dbraw/zinc/00/98/33/468009833.db2.gz IUQVBRAJNGSDDN-UHFFFAOYSA-N 1 3 333.480 2.306 10 0 EEAEHO CN1CC[C@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)[C@H]1c1ccccc1 ZINC000578743115 468249563 /nfs/dbraw/zinc/24/95/63/468249563.db2.gz GLVUFAAFFDCJKS-CEXWTWQISA-N 1 3 338.455 2.431 10 0 EEAEHO CC[NH+](CC)CCSCC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600470134 468567876 /nfs/dbraw/zinc/56/78/76/468567876.db2.gz GHBQQLIDQNTAJF-INIZCTEOSA-N 1 3 327.538 2.195 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000557635326 468643196 /nfs/dbraw/zinc/64/31/96/468643196.db2.gz YOWQEGIIJIHFEF-ZHALLVOQSA-N 1 3 329.488 2.498 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000557635326 468643198 /nfs/dbraw/zinc/64/31/98/468643198.db2.gz YOWQEGIIJIHFEF-ZHALLVOQSA-N 1 3 329.488 2.498 10 0 EEAEHO CC(C)CC[C@H](O)C[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000570921345 468713313 /nfs/dbraw/zinc/71/33/13/468713313.db2.gz XKNWWARYMSFMIM-SFHVURJKSA-N 1 3 325.541 2.323 10 0 EEAEHO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000595075254 468753150 /nfs/dbraw/zinc/75/31/50/468753150.db2.gz XPZNJFFQAFKRTB-QAPCUYQASA-N 1 3 348.487 2.463 10 0 EEAEHO CNC(=O)[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)Cc1ccc(F)cc1C ZINC000563127645 469178613 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C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000617507864 469707714 /nfs/dbraw/zinc/70/77/14/469707714.db2.gz LZFBLCDVDAQQPH-MELADBBJSA-N 1 3 337.430 2.353 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000617507864 469707720 /nfs/dbraw/zinc/70/77/20/469707720.db2.gz LZFBLCDVDAQQPH-MELADBBJSA-N 1 3 337.430 2.353 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)C[NH2+]1 ZINC000626922492 469755566 /nfs/dbraw/zinc/75/55/66/469755566.db2.gz ZKFYMUTYEGQHOE-ILXRZTDVSA-N 1 3 336.505 2.325 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)C[NH2+]1 ZINC000626922495 469755759 /nfs/dbraw/zinc/75/57/59/469755759.db2.gz ZKFYMUTYEGQHOE-RBSFLKMASA-N 1 3 336.505 2.325 10 0 EEAEHO C[C@H]1CC[C@H](NC(=O)NCC2(N(C)Cc3ccccc3)CCC2)C[NH2+]1 ZINC000627050192 469802500 /nfs/dbraw/zinc/80/25/00/469802500.db2.gz DRSWJONYYGFSEG-WMZOPIPTSA-N 1 3 344.503 2.481 10 0 EEAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCN2CC[C@@H](O)C2)CC1 ZINC000624230618 469881270 /nfs/dbraw/zinc/88/12/70/469881270.db2.gz BQAFMPBSNJWCQG-QGZVFWFLSA-N 1 3 325.541 2.322 10 0 EEAEHO CC(C)C[C@H](N[C@@H]1CCCc2ncccc21)C(=O)NCC[NH+](C)C ZINC000631611150 470174528 /nfs/dbraw/zinc/17/45/28/470174528.db2.gz IDUDGDFQAXOVIZ-MSOLQXFVSA-N 1 3 332.492 2.141 10 0 EEAEHO C[C@@](O)(C[C@H](O)CNCc1ccccc1C[NH+]1CCCC1)C1CC1 ZINC000634698097 470280936 /nfs/dbraw/zinc/28/09/36/470280936.db2.gz AFSBHGMZZALZLB-VQTJNVASSA-N 1 3 332.488 2.284 10 0 EEAEHO Cc1cc(N)cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000632969388 470302323 /nfs/dbraw/zinc/30/23/23/470302323.db2.gz RCPRQBOCCHTIOX-UHFFFAOYSA-N 1 3 345.491 2.257 10 0 EEAEHO c1cc(N2CCNCC2)cc(N[C@@H]2CCC[C@H]([C@H]3CCOC3)C2)[nH+]1 ZINC000635011393 470400461 /nfs/dbraw/zinc/40/04/61/470400461.db2.gz ZQJBAJIHZQRROP-YESZJQIVSA-N 1 3 330.476 2.498 10 0 EEAEHO C[N@@H+]1CCC[C@@H]1CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000649751552 470685481 /nfs/dbraw/zinc/68/54/81/470685481.db2.gz MTCGMNIRDMKYJZ-VAMGGRTRSA-N 1 3 329.488 2.056 10 0 EEAEHO C[N@H+]1CCC[C@@H]1CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000649751552 470685484 /nfs/dbraw/zinc/68/54/84/470685484.db2.gz MTCGMNIRDMKYJZ-VAMGGRTRSA-N 1 3 329.488 2.056 10 0 EEAEHO C[N@@H+]1CCC[C@@H]1CCN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000649751690 470685863 /nfs/dbraw/zinc/68/58/63/470685863.db2.gz PTMHBVKRAVFVMG-NJYVYQBISA-N 1 3 343.515 2.446 10 0 EEAEHO C[N@H+]1CCC[C@@H]1CCN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000649751690 470685868 /nfs/dbraw/zinc/68/58/68/470685868.db2.gz PTMHBVKRAVFVMG-NJYVYQBISA-N 1 3 343.515 2.446 10 0 EEAEHO CN1C[C@H]2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000646911548 470772531 /nfs/dbraw/zinc/77/25/31/470772531.db2.gz AMBQMWZOLVELNO-MOPGFXCFSA-N 1 3 327.472 2.449 10 0 EEAEHO COc1cc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc2c1OCO2 ZINC000650722671 470951439 /nfs/dbraw/zinc/95/14/39/470951439.db2.gz ZCWAKCLDQLOSQB-ARFHVFGLSA-N 1 3 348.443 2.285 10 0 EEAEHO CC[C@@H]1C[C@@H](NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CO1 ZINC000657355134 471110853 /nfs/dbraw/zinc/11/08/53/471110853.db2.gz CJCPWTYSGFUSSO-IPMKNSEASA-N 1 3 345.487 2.041 10 0 EEAEHO CC[C@@H]1C[C@@H](NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CO1 ZINC000657355134 471110855 /nfs/dbraw/zinc/11/08/55/471110855.db2.gz CJCPWTYSGFUSSO-IPMKNSEASA-N 1 3 345.487 2.041 10 0 EEAEHO CC(C)C[N@H+](C)CCCNC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000652225091 471259064 /nfs/dbraw/zinc/25/90/64/471259064.db2.gz PQLNTJIAAKGQJP-SFHVURJKSA-N 1 3 332.492 2.232 10 0 EEAEHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000652225091 471259067 /nfs/dbraw/zinc/25/90/67/471259067.db2.gz PQLNTJIAAKGQJP-SFHVURJKSA-N 1 3 332.492 2.232 10 0 EEAEHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652242479 471261376 /nfs/dbraw/zinc/26/13/76/471261376.db2.gz WEDCEYVYGZSXIU-UHFFFAOYSA-N 1 3 336.455 2.028 10 0 EEAEHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCOCC(F)(F)C(F)F)C1 ZINC000652364019 471279834 /nfs/dbraw/zinc/27/98/34/471279834.db2.gz VKCOHIJMTXPUBX-UPJWGTAASA-N 1 3 342.377 2.264 10 0 EEAEHO CCN(C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)[C@H]1CCN(C)C1 ZINC000666283696 471340146 /nfs/dbraw/zinc/34/01/46/471340146.db2.gz YJKHHRPSDZCVDG-INIZCTEOSA-N 1 3 348.495 2.016 10 0 EEAEHO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659035705 471477905 /nfs/dbraw/zinc/47/79/05/471477905.db2.gz MRBCGBZEOSQWGC-QZTJIDSGSA-N 1 3 346.475 2.296 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)N(C)C)cc1 ZINC000653106057 471488598 /nfs/dbraw/zinc/48/85/98/471488598.db2.gz REYFMSXRHXDBJC-QYZOEREBSA-N 1 3 329.488 2.499 10 0 EEAEHO [NH3+]C[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(F)(F)F ZINC000655910504 471533545 /nfs/dbraw/zinc/53/35/45/471533545.db2.gz WHBRNEIXASQOAI-KBPBESRZSA-N 1 3 344.381 2.012 10 0 EEAEHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](CN)C(F)(F)F)C1 ZINC000655917462 471538356 /nfs/dbraw/zinc/53/83/56/471538356.db2.gz RTLZXJPEWVFGIA-NWDGAFQWSA-N 1 3 338.418 2.076 10 0 EEAEHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](CN)C(F)(F)F)C1 ZINC000655917462 471538364 /nfs/dbraw/zinc/53/83/64/471538364.db2.gz RTLZXJPEWVFGIA-NWDGAFQWSA-N 1 3 338.418 2.076 10 0 EEAEHO C[NH2+]CCc1ccccc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659369808 471594730 /nfs/dbraw/zinc/59/47/30/471594730.db2.gz UMZWHKMOQMSYDY-IBGZPJMESA-N 1 3 339.439 2.362 10 0 EEAEHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659482213 471649166 /nfs/dbraw/zinc/64/91/66/471649166.db2.gz KVOOMSNUPXTNLF-QPIRBTGLSA-N 1 3 344.503 2.194 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000659482704 471651210 /nfs/dbraw/zinc/65/12/10/471651210.db2.gz PUNGMXQWTXWQQT-CGTJXYLNSA-N 1 3 332.492 2.180 10 0 EEAEHO C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000659559257 471677318 /nfs/dbraw/zinc/67/73/18/471677318.db2.gz AMKTWJZEAWUTFE-INIZCTEOSA-N 1 3 332.492 2.326 10 0 EEAEHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCc2ccccc2[C@H]1CN ZINC000659606840 471698258 /nfs/dbraw/zinc/69/82/58/471698258.db2.gz VWTGPJUNNUQHAB-VQIMIIECSA-N 1 3 344.503 2.375 10 0 EEAEHO CC(=O)c1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000664314393 471715679 /nfs/dbraw/zinc/71/56/79/471715679.db2.gz JMOVUZJPDHWTFT-AWEZNQCLSA-N 1 3 334.464 2.283 10 0 EEAEHO CC(=O)c1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000664314393 471715681 /nfs/dbraw/zinc/71/56/81/471715681.db2.gz JMOVUZJPDHWTFT-AWEZNQCLSA-N 1 3 334.464 2.283 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(Cl)cn1 ZINC000664315990 471716155 /nfs/dbraw/zinc/71/61/55/471716155.db2.gz YPRJWEJZAZGCPA-LBPRGKRZSA-N 1 3 327.860 2.129 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(Cl)cn1 ZINC000664315990 471716160 /nfs/dbraw/zinc/71/61/60/471716160.db2.gz YPRJWEJZAZGCPA-LBPRGKRZSA-N 1 3 327.860 2.129 10 0 EEAEHO CC[NH2+]Cc1ccccc1NC(=O)NCCN1CCC(OC)CC1 ZINC000667778316 471900762 /nfs/dbraw/zinc/90/07/62/471900762.db2.gz ADMVFSJRZFLHMW-UHFFFAOYSA-N 1 3 334.464 2.028 10 0 EEAEHO [NH3+][C@@H]1C[C@@H](NCc2ccc(CN3CC[C@H](O)C3)cc2)c2ccccc21 ZINC000665241012 471977207 /nfs/dbraw/zinc/97/72/07/471977207.db2.gz XWNCGLCPWHDNES-IOMROCGXSA-N 1 3 337.467 2.488 10 0 EEAEHO c1cc2c(cc1[C@@H]([NH2+]C[C@@H]1CCC3(CNC3)O1)C1CC1)OCCO2 ZINC000662281309 472054430 /nfs/dbraw/zinc/05/44/30/472054430.db2.gz JIPDNAZUYKGUOH-YJBOKZPZSA-N 1 3 330.428 2.020 10 0 EEAEHO CCC[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CCN1Cc1ccccc1 ZINC000662281153 472054769 /nfs/dbraw/zinc/05/47/69/472054769.db2.gz UDLIURKZRFZPHP-WOJBJXKFSA-N 1 3 343.515 2.494 10 0 EEAEHO CCC[NH+]1CCN(c2ccccc2CN(C)C[C@H]2COCCO2)CC1 ZINC000668545151 472169214 /nfs/dbraw/zinc/16/92/14/472169214.db2.gz MZEOIVSCRSFBIF-IBGZPJMESA-N 1 3 347.503 2.066 10 0 EEAEHO CN1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCCN(C)C2)CC1 ZINC000678359576 486623336 /nfs/dbraw/zinc/62/33/36/486623336.db2.gz UNAKAPGUPQBDEU-HNNXBMFYSA-N 1 3 336.911 2.276 10 0 EEAEHO COc1ccc([C@@H](NCC2(N(C)C)CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422727357 536890511 /nfs/dbraw/zinc/89/05/11/536890511.db2.gz HHBJVCADLKFURD-RBUKOAKNSA-N 1 3 347.503 2.189 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCn1ccccc1=O ZINC000397959697 576122433 /nfs/dbraw/zinc/12/24/33/576122433.db2.gz DFOKGLCWBUMVPY-IEBWSBKVSA-N 1 3 325.456 2.349 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCn1ccccc1=O ZINC000397959697 576122437 /nfs/dbraw/zinc/12/24/37/576122437.db2.gz DFOKGLCWBUMVPY-IEBWSBKVSA-N 1 3 325.456 2.349 10 0 EEAEHO CCN1CCO[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000397961025 576122592 /nfs/dbraw/zinc/12/25/92/576122592.db2.gz FCIARASJPGMKSA-SXLOBPIMSA-N 1 3 331.504 2.207 10 0 EEAEHO CCN1CCO[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000397961025 576122594 /nfs/dbraw/zinc/12/25/94/576122594.db2.gz FCIARASJPGMKSA-SXLOBPIMSA-N 1 3 331.504 2.207 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001485657806 1191892056 /nfs/dbraw/zinc/89/20/56/1191892056.db2.gz NULZSNPGBOQGCS-IPMKNSEASA-N 1 3 344.503 2.139 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001485657806 1191892059 /nfs/dbraw/zinc/89/20/59/1191892059.db2.gz NULZSNPGBOQGCS-IPMKNSEASA-N 1 3 344.503 2.139 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](CNCc1ccccn1)C1CC1 ZINC001485813125 1191977294 /nfs/dbraw/zinc/97/72/94/1191977294.db2.gz GDMHJNPRPFPHIC-MOPGFXCFSA-N 1 3 344.503 2.283 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](CNCc1ccccn1)C1CC1 ZINC001485813125 1191977296 /nfs/dbraw/zinc/97/72/96/1191977296.db2.gz GDMHJNPRPFPHIC-MOPGFXCFSA-N 1 3 344.503 2.283 10 0 EEAEHO Cc1cccc(C)c1OCC[NH2+]CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001266724291 1177305782 /nfs/dbraw/zinc/30/57/82/1177305782.db2.gz KALQOHXQZJUCSW-UHFFFAOYSA-N 1 3 347.503 2.215 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2ccc(Cl)nc2)CC[N@@H+]1C ZINC001266939789 1177854142 /nfs/dbraw/zinc/85/41/42/1177854142.db2.gz OMRZKUSWOPGVQR-VHDGCEQUSA-N 1 3 338.883 2.060 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2ccc(Cl)nc2)CC[N@H+]1C ZINC001266939789 1177854150 /nfs/dbraw/zinc/85/41/50/1177854150.db2.gz OMRZKUSWOPGVQR-VHDGCEQUSA-N 1 3 338.883 2.060 10 0 EEAEHO Cc1ncc(CN2CCC[C@@H]2CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001267167990 1178383522 /nfs/dbraw/zinc/38/35/22/1178383522.db2.gz LSGVZXFYXWKISZ-UWWQBHOKSA-N 1 3 348.491 2.184 10 0 EEAEHO Cc1ncc(CN2CCC[C@@H]2CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001267167990 1178383529 /nfs/dbraw/zinc/38/35/29/1178383529.db2.gz LSGVZXFYXWKISZ-UWWQBHOKSA-N 1 3 348.491 2.184 10 0 EEAEHO Cc1cc(CN2CCC[C@H]2CCCNC(=O)C2CC[NH+](C)CC2)on1 ZINC001267175492 1178415091 /nfs/dbraw/zinc/41/50/91/1178415091.db2.gz VPVRKYBPTABTGS-QGZVFWFLSA-N 1 3 348.491 2.186 10 0 EEAEHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(CCCCC(F)(F)F)C1 ZINC001267776821 1180507217 /nfs/dbraw/zinc/50/72/17/1180507217.db2.gz GGRHFVWKUURGDX-KGLIPLIRSA-N 1 3 335.414 2.203 10 0 EEAEHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCCCC(F)(F)F)C1 ZINC001267776821 1180507221 /nfs/dbraw/zinc/50/72/21/1180507221.db2.gz GGRHFVWKUURGDX-KGLIPLIRSA-N 1 3 335.414 2.203 10 0 EEAEHO CC1CCN(CC(=O)N(C)CC[NH2+]Cc2ccc3c(c2)CCC3)CC1 ZINC001481294619 1180935939 /nfs/dbraw/zinc/93/59/39/1180935939.db2.gz CJOPRYWQVTWZHR-UHFFFAOYSA-N 1 3 343.515 2.455 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([C@H](C)[NH2+]Cc2cccnc2)CC1 ZINC001481344597 1181077468 /nfs/dbraw/zinc/07/74/68/1181077468.db2.gz ZLVBRANFDKPHRG-INIZCTEOSA-N 1 3 332.492 2.139 10 0 EEAEHO CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCN(CCOC(C)C)C1 ZINC001481768421 1182652694 /nfs/dbraw/zinc/65/26/94/1182652694.db2.gz NSRVZRJVRFXXPQ-QZTJIDSGSA-N 1 3 339.524 2.209 10 0 EEAEHO CCN(C(=O)CC[C@H]1CCC[N@H+]1C)[C@@H]1CCN(CCOC(C)C)C1 ZINC001481768421 1182652699 /nfs/dbraw/zinc/65/26/99/1182652699.db2.gz NSRVZRJVRFXXPQ-QZTJIDSGSA-N 1 3 339.524 2.209 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N(CC)CCNCc2cccnc2)C1 ZINC001268473144 1182861315 /nfs/dbraw/zinc/86/13/15/1182861315.db2.gz OZMLJVADFNBGNC-SFHVURJKSA-N 1 3 332.492 2.142 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N(CC)CCNCc2cccnc2)C1 ZINC001268473144 1182861322 /nfs/dbraw/zinc/86/13/22/1182861322.db2.gz OZMLJVADFNBGNC-SFHVURJKSA-N 1 3 332.492 2.142 10 0 EEAEHO CCN(CC[NH2+]C/C=C/c1ccccc1)C(=O)CN1CC[C@H](C)C1 ZINC001268479535 1182922477 /nfs/dbraw/zinc/92/24/77/1182922477.db2.gz LIQLDRXIQBFLRM-HKMNZKMDSA-N 1 3 329.488 2.480 10 0 EEAEHO CCN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)CN1CCCC1 ZINC001268498381 1183032902 /nfs/dbraw/zinc/03/29/02/1183032902.db2.gz OBOWURUDDSRAQC-HNNXBMFYSA-N 1 3 331.451 2.346 10 0 EEAEHO CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001269766225 1184603415 /nfs/dbraw/zinc/60/34/15/1184603415.db2.gz UAYUSTIJOFWFDW-CRAIPNDOSA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1ccc(OCC[NH2+]C[C@H]2CCCN2C(=O)CN2CCCC2)cc1 ZINC001270309049 1185005225 /nfs/dbraw/zinc/00/52/25/1185005225.db2.gz TZIYHKPXRVBTSL-GOSISDBHSA-N 1 3 345.487 2.050 10 0 EEAEHO CC(C)OCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001271674354 1186366753 /nfs/dbraw/zinc/36/67/53/1186366753.db2.gz XJQOGNVLLDFAGG-DLBZAZTESA-N 1 3 341.540 2.073 10 0 EEAEHO CC(C)[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cncs1 ZINC001482553039 1186697353 /nfs/dbraw/zinc/69/73/53/1186697353.db2.gz JROFYTIRVBKDPJ-OAHLLOKOSA-N 1 3 340.537 2.351 10 0 EEAEHO CC(C)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1ccccc1F ZINC001482554565 1186716881 /nfs/dbraw/zinc/71/68/81/1186716881.db2.gz VLWFEMFYZAZMMH-VQIMIIECSA-N 1 3 349.494 2.440 10 0 EEAEHO Cc1ncc(C[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C(C)C)s1 ZINC001482569968 1186904716 /nfs/dbraw/zinc/90/47/16/1186904716.db2.gz ACQAAIMPPFGSOW-HNNXBMFYSA-N 1 3 326.510 2.022 10 0 EEAEHO CN(CC[N@H+](C)C[C@@H]1CCCC(F)(F)C1)C(=O)[C@@H]1CCCN1C ZINC001482586013 1186998659 /nfs/dbraw/zinc/99/86/59/1186998659.db2.gz DKZAZXPVYMXWSA-CABCVRRESA-N 1 3 331.451 2.296 10 0 EEAEHO CN(CC[N@@H+](C)C[C@@H]1CCCC(F)(F)C1)C(=O)[C@@H]1CCCN1C ZINC001482586013 1186998661 /nfs/dbraw/zinc/99/86/61/1186998661.db2.gz DKZAZXPVYMXWSA-CABCVRRESA-N 1 3 331.451 2.296 10 0 EEAEHO CCCCOCCN1CC[C@@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001671678169 1187435064 /nfs/dbraw/zinc/43/50/64/1187435064.db2.gz JBWDXGBNGQAWLS-LJQANCHMSA-N 1 3 339.524 2.116 10 0 EEAEHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001409343633 1189550697 /nfs/dbraw/zinc/55/06/97/1189550697.db2.gz BXABZTSWRASOTR-STQMWFEESA-N 1 3 339.430 2.432 10 0 EEAEHO Cc1ccncc1CNC1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001483744323 1190896561 /nfs/dbraw/zinc/89/65/61/1190896561.db2.gz UQDWKYYDKRLUSM-ROUUACIJSA-N 1 3 342.487 2.145 10 0 EEAEHO Cc1ccncc1CNC1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001483744323 1190896566 /nfs/dbraw/zinc/89/65/66/1190896566.db2.gz UQDWKYYDKRLUSM-ROUUACIJSA-N 1 3 342.487 2.145 10 0 EEAEHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1F)C1CCC1 ZINC001483934326 1191123221 /nfs/dbraw/zinc/12/32/21/1191123221.db2.gz OPBORUNDSNEXAS-GOSISDBHSA-N 1 3 347.478 2.433 10 0 EEAEHO Cc1cccc(OCC[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC001483941316 1191125414 /nfs/dbraw/zinc/12/54/14/1191125414.db2.gz SULNZBREWLDVRX-PKOBYXMFSA-N 1 3 345.487 2.049 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[C@H]2C[NH2+]CCCF)C1 ZINC001483944756 1191126412 /nfs/dbraw/zinc/12/64/12/1191126412.db2.gz FILJAJPLIGOXAB-YOEHRIQHSA-N 1 3 331.451 2.139 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@H](CC[NH2+]CCc3cccs3)C2)C1 ZINC001484538253 1191404420 /nfs/dbraw/zinc/40/44/20/1191404420.db2.gz WBYCNSJGZNNISE-IRXDYDNUSA-N 1 3 349.544 2.461 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCOC(C)C)C1 ZINC001484551700 1191410603 /nfs/dbraw/zinc/41/06/03/1191410603.db2.gz OFPMLQMAOWQGCS-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1conc1CNC[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001484571957 1191424832 /nfs/dbraw/zinc/42/48/32/1191424832.db2.gz ORGLCFVYRHJNBE-WKILWMFISA-N 1 3 348.491 2.089 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3cncc(F)c3)CCC2)CC[N@@H+]1C ZINC001484634671 1191446249 /nfs/dbraw/zinc/44/62/49/1191446249.db2.gz QUGAMIZKDNXMML-DLBZAZTESA-N 1 3 348.466 2.080 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3cncc(F)c3)CCC2)CC[N@H+]1C ZINC001484634671 1191446251 /nfs/dbraw/zinc/44/62/51/1191446251.db2.gz QUGAMIZKDNXMML-DLBZAZTESA-N 1 3 348.466 2.080 10 0 EEAEHO CC[C@@H](F)CNC1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCC1 ZINC001484640630 1191450071 /nfs/dbraw/zinc/45/00/71/1191450071.db2.gz DVJLEKQMZKHAFI-CVEARBPZSA-N 1 3 327.488 2.483 10 0 EEAEHO CC[C@@H](F)CNC1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCC1 ZINC001484640630 1191450073 /nfs/dbraw/zinc/45/00/73/1191450073.db2.gz DVJLEKQMZKHAFI-CVEARBPZSA-N 1 3 327.488 2.483 10 0 EEAEHO CN(CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1)Cc1ccccn1 ZINC001484753048 1191508733 /nfs/dbraw/zinc/50/87/33/1191508733.db2.gz NGDXRYFIXADHHP-UHFFFAOYSA-N 1 3 332.492 2.236 10 0 EEAEHO CCC1([NH2+]CC[C@@H]2CCCO2)CCN(C(=O)CN2CCCC2)CC1 ZINC001484819054 1191539190 /nfs/dbraw/zinc/53/91/90/1191539190.db2.gz GDMZKLYBGNXUNO-KRWDZBQOSA-N 1 3 337.508 2.012 10 0 EEAEHO CCC1([NH2+]CCCOC(C)C)CCN(C(=O)CN2CCCC2)CC1 ZINC001484818890 1191539221 /nfs/dbraw/zinc/53/92/21/1191539221.db2.gz CFVUWZIDLOIVCL-UHFFFAOYSA-N 1 3 339.524 2.258 10 0 EEAEHO CN(CCc1ccccc1F)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001485070193 1191637294 /nfs/dbraw/zinc/63/72/94/1191637294.db2.gz WPXORLGPYPUYIV-KRWDZBQOSA-N 1 3 335.467 2.243 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)C/C=C\c1ccccc1 ZINC001485348858 1191749809 /nfs/dbraw/zinc/74/98/09/1191749809.db2.gz BXXUFEKRYQDXAO-JWJFLKPDSA-N 1 3 329.488 2.478 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)C/C=C\c1ccccc1 ZINC001485348858 1191749810 /nfs/dbraw/zinc/74/98/10/1191749810.db2.gz BXXUFEKRYQDXAO-JWJFLKPDSA-N 1 3 329.488 2.478 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)[C@H]2C1 ZINC001486167123 1193709630 /nfs/dbraw/zinc/70/96/30/1193709630.db2.gz PPMYMNDYEHTBMH-TWDVFJJTSA-N 1 3 327.900 2.297 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)[C@@H]2C1 ZINC001486167124 1193709657 /nfs/dbraw/zinc/70/96/57/1193709657.db2.gz PPMYMNDYEHTBMH-UTOJKVIPSA-N 1 3 327.900 2.297 10 0 EEAEHO Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)cn1 ZINC001273053544 1194357748 /nfs/dbraw/zinc/35/77/48/1194357748.db2.gz YWOZPEXVFKTISM-YJBOKZPZSA-N 1 3 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ZINC001274480907 1205053032 /nfs/dbraw/zinc/05/30/32/1205053032.db2.gz CFRKLAGAIFZRFG-PLNGDYQASA-N 1 3 344.503 2.272 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCc2ccccc21 ZINC001275421619 1205352128 /nfs/dbraw/zinc/35/21/28/1205352128.db2.gz LENNDWRIKWHEFU-WMLDXEAASA-N 1 3 340.471 2.475 10 0 EEAEHO CC1(C)C[C@@H](N[C@H]2CCCN(Cc3ccccn3)C2=O)C[C@@H]([NH3+])C1 ZINC000925637715 1206138434 /nfs/dbraw/zinc/13/84/34/1206138434.db2.gz QGVXUHAREQTZPJ-PVAVHDDUSA-N 1 3 330.476 2.068 10 0 EEAEHO CC1(C)[C@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)[C@@H]2CCCN[C@@H]21 ZINC000925670737 1206142183 /nfs/dbraw/zinc/14/21/83/1206142183.db2.gz OBWHTCXNOBQXHP-IXDOHACOSA-N 1 3 341.455 2.039 10 0 EEAEHO COc1cc(OC)c([C@H](C)NCCN2CCC([NH3+])CC2)cc1Cl ZINC000925811095 1206156556 /nfs/dbraw/zinc/15/65/56/1206156556.db2.gz QRYUQCPPIDVGJT-LBPRGKRZSA-N 1 3 341.883 2.431 10 0 EEAEHO C[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000925843419 1206159220 /nfs/dbraw/zinc/15/92/20/1206159220.db2.gz 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EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CCNCc2cnc(C)o2)C1 ZINC001320527558 1332903100 /nfs/dbraw/zinc/90/31/00/1332903100.db2.gz ANJWFEAUTSBKMQ-HOCLYGCPSA-N 1 3 336.480 2.089 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CCNCc2cnc(C)o2)C1 ZINC001320527558 1332903101 /nfs/dbraw/zinc/90/31/01/1332903101.db2.gz ANJWFEAUTSBKMQ-HOCLYGCPSA-N 1 3 336.480 2.089 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001320621817 1332922551 /nfs/dbraw/zinc/92/25/51/1332922551.db2.gz FQOFYYDCWPNWFC-ZDUSSCGKSA-N 1 3 339.443 2.427 10 0 EEAEHO C[C@@H](NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(F)cc1 ZINC001321067698 1333010681 /nfs/dbraw/zinc/01/06/81/1333010681.db2.gz XMAXEGDRWLOJST-NYZDRWPISA-N 1 3 333.451 2.489 10 0 EEAEHO C[C@@H](NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(F)cc1 ZINC001321067698 1333010683 /nfs/dbraw/zinc/01/06/83/1333010683.db2.gz XMAXEGDRWLOJST-NYZDRWPISA-N 1 3 333.451 2.489 10 0 EEAEHO C[C@H](F)CC[NH2+]C/C=C/CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001321249989 1333055151 /nfs/dbraw/zinc/05/51/51/1333055151.db2.gz MYNHZHPSHORAKO-AQVLZCAOSA-N 1 3 331.451 2.209 10 0 EEAEHO COc1cccc([C@H](C)NC/C=C/CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001321335507 1333077070 /nfs/dbraw/zinc/07/70/70/1333077070.db2.gz HKXUGJQMHFSMNP-XLYSIVADSA-N 1 3 345.487 2.360 10 0 EEAEHO COc1cccc([C@H](C)NC/C=C/CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001321335507 1333077074 /nfs/dbraw/zinc/07/70/74/1333077074.db2.gz HKXUGJQMHFSMNP-XLYSIVADSA-N 1 3 345.487 2.360 10 0 EEAEHO CC(C)OCC[NH2+]CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001322695203 1333309446 /nfs/dbraw/zinc/30/94/46/1333309446.db2.gz YCYSHMVQFCUEND-SFHVURJKSA-N 1 3 345.503 2.062 10 0 EEAEHO COCCCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H](C)C1 ZINC001324092120 1333607703 /nfs/dbraw/zinc/60/77/03/1333607703.db2.gz YNPCMXLMQRRZRL-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001327033599 1334207875 /nfs/dbraw/zinc/20/78/75/1334207875.db2.gz 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CCCCCC[NH+]1CCC2(CC1)CN(C(=O)Cc1c[nH]cn1)CCO2 ZINC001674276254 1356811770 /nfs/dbraw/zinc/81/17/70/1356811770.db2.gz XYIGQHKJXYJBEJ-UHFFFAOYSA-N 1 3 348.491 2.226 10 0 EEAEHO COCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001566742738 1342621435 /nfs/dbraw/zinc/62/14/35/1342621435.db2.gz BNUJCVXBPUEQHP-KRWDZBQOSA-N 1 3 341.540 2.171 10 0 EEAEHO COCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001566742738 1342621439 /nfs/dbraw/zinc/62/14/39/1342621439.db2.gz BNUJCVXBPUEQHP-KRWDZBQOSA-N 1 3 341.540 2.171 10 0 EEAEHO C[C@@H]1[C@H]([NH2+]CCOC2CCC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001676669524 1357178380 /nfs/dbraw/zinc/17/83/80/1357178380.db2.gz VRVRBDDNDLRAPD-NVXWUHKLSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1ccc(CN2CCCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1 ZINC001650042702 1353697705 /nfs/dbraw/zinc/69/77/05/1353697705.db2.gz VTHZROATSSTIFS-IEBWSBKVSA-N 1 3 344.503 2.305 10 0 EEAEHO Cc1ccc(CN2CCCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1 ZINC001650042702 1353697711 /nfs/dbraw/zinc/69/77/11/1353697711.db2.gz VTHZROATSSTIFS-IEBWSBKVSA-N 1 3 344.503 2.305 10 0 EEAEHO O=C(NCCCN(Cc1ccccn1)C1CC1)C12CCC[NH+]1CCC2 ZINC001660699722 1354519516 /nfs/dbraw/zinc/51/95/16/1354519516.db2.gz MNXGBCYUULMKQB-UHFFFAOYSA-N 1 3 342.487 2.181 10 0 EEAEHO CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CCN(CCOCC)CC1 ZINC001661097134 1354590631 /nfs/dbraw/zinc/59/06/31/1354590631.db2.gz JPFJRDLSFMBXDZ-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CCN(CCOCC)CC1 ZINC001661097134 1354590635 /nfs/dbraw/zinc/59/06/35/1354590635.db2.gz JPFJRDLSFMBXDZ-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CCc3ccccc3)C2)C1 ZINC001661817981 1354702554 /nfs/dbraw/zinc/70/25/54/1354702554.db2.gz GFYOSPLOUXOXPZ-QUCCMNQESA-N 1 3 343.515 2.399 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCOCC2CCC2)C1)N(C)C ZINC001662845254 1354862596 /nfs/dbraw/zinc/86/25/96/1354862596.db2.gz MTJUYEOULVAAIC-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCOCC2CCC2)C1)N(C)C ZINC001662845254 1354862600 /nfs/dbraw/zinc/86/26/00/1354862600.db2.gz MTJUYEOULVAAIC-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[C@H]1CCC[N@@H+]1C[C@H]1CCCOC1 ZINC001663119997 1354921772 /nfs/dbraw/zinc/92/17/72/1354921772.db2.gz PHTBINKIYRGBQL-SJORKVTESA-N 1 3 348.491 2.048 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[C@H]1CCC[N@H+]1C[C@H]1CCCOC1 ZINC001663119997 1354921775 /nfs/dbraw/zinc/92/17/75/1354921775.db2.gz PHTBINKIYRGBQL-SJORKVTESA-N 1 3 348.491 2.048 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCc1ccc(C[NH2+]CC[C@@H](C)F)cc1 ZINC001666347187 1355515096 /nfs/dbraw/zinc/51/50/96/1355515096.db2.gz GHAMIRNERJSABJ-CYBMUJFWSA-N 1 3 332.423 2.415 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001666922069 1355615170 /nfs/dbraw/zinc/61/51/70/1355615170.db2.gz XTSWQCGHNWSIHP-QGZVFWFLSA-N 1 3 331.504 2.458 10 0 EEAEHO CC1(C)CO[C@@H](C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001667290574 1355699879 /nfs/dbraw/zinc/69/98/79/1355699879.db2.gz LZFQSQGRWYYEGL-DLBZAZTESA-N 1 3 348.491 2.128 10 0 EEAEHO C[C@@]1(C[NH2+]C/C=C/c2ccccc2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001671790363 1356415282 /nfs/dbraw/zinc/41/52/82/1356415282.db2.gz QUVJDGXYEIGRHX-FKIZTMCRSA-N 1 3 338.455 2.494 10 0 EEAEHO Cc1oncc1CNCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001675898125 1357064979 /nfs/dbraw/zinc/06/49/79/1357064979.db2.gz KKWACHXLHADQHR-RHSMWYFYSA-N 1 3 336.480 2.230 10 0 EEAEHO Cc1oncc1CNCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001675898125 1357064983 /nfs/dbraw/zinc/06/49/83/1357064983.db2.gz KKWACHXLHADQHR-RHSMWYFYSA-N 1 3 336.480 2.230 10 0 EEAEHO C[C@H](CC[NH2+]Cc1cc(C2CC2)no1)NC(=O)C1(N(C)C)CCC1 ZINC001699105511 1405259273 /nfs/dbraw/zinc/25/92/73/1405259273.db2.gz GTMTUYPOXKVXOY-CYBMUJFWSA-N 1 3 334.464 2.021 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc(Cl)n1 ZINC000846694583 790417857 /nfs/dbraw/zinc/41/78/57/790417857.db2.gz QUIWZCUHKUKJHF-GLQYFDAESA-N 1 3 338.883 2.409 10 0 EEAEHO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC000818178927 785205848 /nfs/dbraw/zinc/20/58/48/785205848.db2.gz VNORQIPTDNUUHS-ROUUACIJSA-N 1 3 325.472 2.143 10 0 EEAEHO C[N@H+]1CCC[C@]2(CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC000818178927 785205852 /nfs/dbraw/zinc/20/58/52/785205852.db2.gz VNORQIPTDNUUHS-ROUUACIJSA-N 1 3 325.472 2.143 10 0 EEAEHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2c3c(nn2C)CCOC3)C1 ZINC000921544752 789149375 /nfs/dbraw/zinc/14/93/75/789149375.db2.gz VNPLBAXJQINZRX-HOTGVXAUSA-N 1 3 334.508 2.341 10 0 EEAEHO CCCOc1cccc(CNC(=O)CN2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923498931 789680845 /nfs/dbraw/zinc/68/08/45/789680845.db2.gz QWWAQLJHLAZZOU-WBVHZDCISA-N 1 3 333.476 2.008 10 0 EEAEHO C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716677582 796406098 /nfs/dbraw/zinc/40/60/98/796406098.db2.gz GNSAQHPAPTYBCX-PMXSJFBMSA-N 1 3 343.515 2.350 10 0 EEAEHO C[C@H](CN1CCOCC1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716677582 796406100 /nfs/dbraw/zinc/40/61/00/796406100.db2.gz GNSAQHPAPTYBCX-PMXSJFBMSA-N 1 3 343.515 2.350 10 0 EEAEHO C[C@H](CN1CCOCC1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716677582 796406104 /nfs/dbraw/zinc/40/61/04/796406104.db2.gz GNSAQHPAPTYBCX-PMXSJFBMSA-N 1 3 343.515 2.350 10 0 EEAEHO OC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCOCC1 ZINC000716688830 796442689 /nfs/dbraw/zinc/44/26/89/796442689.db2.gz BTQWRURJZURINZ-FHWLQOOXSA-N 1 3 330.472 2.171 10 0 EEAEHO C[NH+](C)CC1(C(=O)N2CCC[C@@H]3CN(C/C=C\Cl)CC[C@H]32)CC1 ZINC001436946116 1088626524 /nfs/dbraw/zinc/62/65/24/1088626524.db2.gz QXZGKHJRDHRKPK-JKUHXPQUSA-N 1 3 339.911 2.394 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](NCC=C(Cl)Cl)C2)CC[N@@H+]1C ZINC001436967407 1088659392 /nfs/dbraw/zinc/65/93/92/1088659392.db2.gz NVSROCOOMLJKKH-ZDEQEGDKSA-N 1 3 334.291 2.273 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](NCC=C(Cl)Cl)C2)CC[N@H+]1C ZINC001436967407 1088659397 /nfs/dbraw/zinc/65/93/97/1088659397.db2.gz NVSROCOOMLJKKH-ZDEQEGDKSA-N 1 3 334.291 2.273 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1ccc(F)c(F)c1 ZINC001437156565 1089158794 /nfs/dbraw/zinc/15/87/94/1089158794.db2.gz OCQZTYZMDVWTNL-GUYCJALGSA-N 1 3 339.430 2.434 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1ccc(F)c(F)c1 ZINC001437156565 1089158803 /nfs/dbraw/zinc/15/88/03/1089158803.db2.gz OCQZTYZMDVWTNL-GUYCJALGSA-N 1 3 339.430 2.434 10 0 EEAEHO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001437723955 1090278622 /nfs/dbraw/zinc/27/86/22/1090278622.db2.gz GGSCZDYJXMPCLY-PKOBYXMFSA-N 1 3 329.488 2.275 10 0 EEAEHO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001437723955 1090278624 /nfs/dbraw/zinc/27/86/24/1090278624.db2.gz GGSCZDYJXMPCLY-PKOBYXMFSA-N 1 3 329.488 2.275 10 0 EEAEHO CC[C@@H](C(=O)NC[C@@H]1CCN(Cc2ccccn2)C1)[NH+](CC)CC ZINC001437728962 1090284457 /nfs/dbraw/zinc/28/44/57/1090284457.db2.gz ROBYPNBNHNPXLI-WMZOPIPTSA-N 1 3 332.492 2.140 10 0 EEAEHO CN(C/C=C/Cl)C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001437973767 1090565065 /nfs/dbraw/zinc/56/50/65/1090565065.db2.gz GYSRSCZWDVAVDW-KZJSRBBCSA-N 1 3 339.911 2.395 10 0 EEAEHO CC[C@H](C)C[NH+]1CC(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001438142017 1090663834 /nfs/dbraw/zinc/66/38/34/1090663834.db2.gz FXGTZOGZKLYMCW-KBXCAEBGSA-N 1 3 327.488 2.293 10 0 EEAEHO CC(C)OCCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001438234168 1090714879 /nfs/dbraw/zinc/71/48/79/1090714879.db2.gz URYFJWBDACPJQG-ROUUACIJSA-N 1 3 339.524 2.207 10 0 EEAEHO CC(C)OCCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001438234168 1090714882 /nfs/dbraw/zinc/71/48/82/1090714882.db2.gz URYFJWBDACPJQG-ROUUACIJSA-N 1 3 339.524 2.207 10 0 EEAEHO CC(C)[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001438800272 1091406052 /nfs/dbraw/zinc/40/60/52/1091406052.db2.gz CTKATMBUWRQICC-DLBZAZTESA-N 1 3 339.524 2.016 10 0 EEAEHO Cc1ccc(F)c(C[NH2+]C[C@H](NC(=O)CN2CC[C@H](C)C2)C2CC2)c1 ZINC001445982860 1091946706 /nfs/dbraw/zinc/94/67/06/1091946706.db2.gz QKNDPURVLFVAIF-KXBFYZLASA-N 1 3 347.478 2.460 10 0 EEAEHO Cc1ccc(F)cc1CN(C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001439325577 1092003228 /nfs/dbraw/zinc/00/32/28/1092003228.db2.gz KMVIWYSMWPNZPN-BEFAXECRSA-N 1 3 347.478 2.412 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NCC2(NCc3ccc(Cl)cc3)CC2)C1 ZINC001439661676 1092596219 /nfs/dbraw/zinc/59/62/19/1092596219.db2.gz OEIHUMFDRJXSPB-OAHLLOKOSA-N 1 3 335.879 2.420 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NCC2(NCc3ccc(Cl)cc3)CC2)C1 ZINC001439661676 1092596224 /nfs/dbraw/zinc/59/62/24/1092596224.db2.gz OEIHUMFDRJXSPB-OAHLLOKOSA-N 1 3 335.879 2.420 10 0 EEAEHO CC[C@H](C(=O)N1C[C@H]2CN(C[C@@H](F)CC)C[C@H]2C1)[NH+](CC)CC ZINC001440150464 1093209772 /nfs/dbraw/zinc/20/97/72/1093209772.db2.gz OPDZEBPPLPDJTP-VVLHAWIVSA-N 1 3 327.488 2.245 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@H](C)c1ccccc1 ZINC001440201959 1093273388 /nfs/dbraw/zinc/27/33/88/1093273388.db2.gz SHWSJAQPJBEQNO-IEBWSBKVSA-N 1 3 347.503 2.031 10 0 EEAEHO Cc1cncc(CN[C@@H](C)CN(C)C(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001448685394 1093750313 /nfs/dbraw/zinc/75/03/13/1093750313.db2.gz SVJQBXUDMVOFJU-KRWDZBQOSA-N 1 3 344.503 2.203 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@H]1CC[C@H](CNCc2c(F)cccc2F)C1 ZINC001449051544 1094064674 /nfs/dbraw/zinc/06/46/74/1094064674.db2.gz HDSUGGHDKLRACG-KBPBESRZSA-N 1 3 339.430 2.291 10 0 EEAEHO C[C@H](NCc1ccc(F)cn1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001440824913 1094077015 /nfs/dbraw/zinc/07/70/15/1094077015.db2.gz OBKKFMYVCKRBNQ-KBPBESRZSA-N 1 3 336.455 2.078 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](CNCc2cc(F)ccc2F)C1 ZINC001441376811 1094913719 /nfs/dbraw/zinc/91/37/19/1094913719.db2.gz FJUCOTOORWPMGM-SAZUREKKSA-N 1 3 339.430 2.291 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](CNCc2cc(F)ccc2F)C1 ZINC001441376811 1094913729 /nfs/dbraw/zinc/91/37/29/1094913729.db2.gz FJUCOTOORWPMGM-SAZUREKKSA-N 1 3 339.430 2.291 10 0 EEAEHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C(F)(F)F ZINC001441927580 1096114281 /nfs/dbraw/zinc/11/42/81/1096114281.db2.gz FLMGJVPNLUKMED-KGLIPLIRSA-N 1 3 337.430 2.209 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001442056055 1096268221 /nfs/dbraw/zinc/26/82/21/1096268221.db2.gz ASQZMPFTVWPMOK-DOTOQJQBSA-N 1 3 349.523 2.107 10 0 EEAEHO Cc1nc(C)c(C[NH2+][C@H](C)CCNC(=O)CN2CC[C@@H](C)C2)s1 ZINC001442296436 1096612068 /nfs/dbraw/zinc/61/20/68/1096612068.db2.gz QNAMIJXOXIAXHF-CHWSQXEVSA-N 1 3 338.521 2.086 10 0 EEAEHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001443979368 1098495812 /nfs/dbraw/zinc/49/58/12/1098495812.db2.gz HSPYEWHFSGQIMT-MAUKXSAKSA-N 1 3 342.487 2.494 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001479729277 1098829644 /nfs/dbraw/zinc/82/96/44/1098829644.db2.gz QBFXHYMKWKCVTK-APWZRJJASA-N 1 3 347.503 2.367 10 0 EEAEHO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001479729277 1098829652 /nfs/dbraw/zinc/82/96/52/1098829652.db2.gz QBFXHYMKWKCVTK-APWZRJJASA-N 1 3 347.503 2.367 10 0 EEAEHO CCn1ccc(CNC[C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001444382727 1098967904 /nfs/dbraw/zinc/96/79/04/1098967904.db2.gz ULVBAFGKAJKNPV-SJLPKXTDSA-N 1 3 349.523 2.008 10 0 EEAEHO CCn1ccc(CNC[C@@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)n1 ZINC001444382727 1098967912 /nfs/dbraw/zinc/96/79/12/1098967912.db2.gz ULVBAFGKAJKNPV-SJLPKXTDSA-N 1 3 349.523 2.008 10 0 EEAEHO CC(C)C[C@H](CNCc1ccccc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444768410 1099666861 /nfs/dbraw/zinc/66/68/61/1099666861.db2.gz AMSNJQBGRGFHQP-IAGOWNOFSA-N 1 3 335.467 2.398 10 0 EEAEHO CC(C)C[C@H](CNCc1ccccc1F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001444768410 1099666866 /nfs/dbraw/zinc/66/68/66/1099666866.db2.gz AMSNJQBGRGFHQP-IAGOWNOFSA-N 1 3 335.467 2.398 10 0 EEAEHO Cc1ncccc1CN1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001480189643 1099788662 /nfs/dbraw/zinc/78/86/62/1099788662.db2.gz QBFXMBVVMNSFJZ-RTBURBONSA-N 1 3 344.503 2.155 10 0 EEAEHO Cc1cncc(CN2CCC[C@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001480266895 1099961869 /nfs/dbraw/zinc/96/18/69/1099961869.db2.gz AUAYYFLOXKSWKE-QZTJIDSGSA-N 1 3 344.503 2.060 10 0 EEAEHO Cc1cncc(CN2CCC[C@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001480266895 1099961882 /nfs/dbraw/zinc/96/18/82/1099961882.db2.gz AUAYYFLOXKSWKE-QZTJIDSGSA-N 1 3 344.503 2.060 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1CNCc1nc2ccccc2o1 ZINC001445120922 1100368973 /nfs/dbraw/zinc/36/89/73/1100368973.db2.gz SZIUJDKCGGSYCL-HUUCEWRRSA-N 1 3 344.459 2.154 10 0 EEAEHO Cc1ncsc1C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001446414779 1100824151 /nfs/dbraw/zinc/82/41/51/1100824151.db2.gz CIZVKHAULOLIQE-ZFWWWQNUSA-N 1 3 338.521 2.261 10 0 EEAEHO CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001495482158 1101191927 /nfs/dbraw/zinc/19/19/27/1101191927.db2.gz PVYPTJXYZSBKHU-WKILWMFISA-N 1 3 336.480 2.094 10 0 EEAEHO CC(C)N(C)CC(=O)NC1(C[NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC001447498093 1102752252 /nfs/dbraw/zinc/75/22/52/1102752252.db2.gz QLRQUYHZFUSNIW-KRWDZBQOSA-N 1 3 347.503 2.343 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001497622176 1102764731 /nfs/dbraw/zinc/76/47/31/1102764731.db2.gz WIZOWEXZPLZLNG-PXPVJAHISA-N 1 3 344.503 2.272 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001497622176 1102764737 /nfs/dbraw/zinc/76/47/37/1102764737.db2.gz WIZOWEXZPLZLNG-PXPVJAHISA-N 1 3 344.503 2.272 10 0 EEAEHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NC/C=C\CNCc1cccnc1 ZINC001497622292 1102765496 /nfs/dbraw/zinc/76/54/96/1102765496.db2.gz YSMYORDFCHFARO-SREVYHEPSA-N 1 3 344.503 2.497 10 0 EEAEHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NC/C=C\CNCc1cccnc1 ZINC001497622292 1102765509 /nfs/dbraw/zinc/76/55/09/1102765509.db2.gz YSMYORDFCHFARO-SREVYHEPSA-N 1 3 344.503 2.497 10 0 EEAEHO C[NH+]1CCC(C(=O)NC2CC(CNC/C(Cl)=C\Cl)C2)CC1 ZINC001447803966 1103365940 /nfs/dbraw/zinc/36/59/40/1103365940.db2.gz ITDYRNJTJPGVKX-MDWZMJQESA-N 1 3 334.291 2.132 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)NCc1cnc(C)nc1 ZINC001495068460 1104708317 /nfs/dbraw/zinc/70/83/17/1104708317.db2.gz DSOBGNFAAWENKD-MSOLQXFVSA-N 1 3 347.507 2.032 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)NCc1cnc(C)nc1 ZINC001495068460 1104708324 /nfs/dbraw/zinc/70/83/24/1104708324.db2.gz DSOBGNFAAWENKD-MSOLQXFVSA-N 1 3 347.507 2.032 10 0 EEAEHO O=C(CCCC[NH+]1CCCC1)N1CC[C@H](NCc2cccnc2)C1 ZINC001480625018 1106787176 /nfs/dbraw/zinc/78/71/76/1106787176.db2.gz VRJRCTUGKAPVIO-SFHVURJKSA-N 1 3 330.476 2.038 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001498446747 1107545255 /nfs/dbraw/zinc/54/52/55/1107545255.db2.gz YLPDBNZUFFFPSY-DGCLKSJQSA-N 1 3 328.407 2.133 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001498446747 1107545262 /nfs/dbraw/zinc/54/52/62/1107545262.db2.gz YLPDBNZUFFFPSY-DGCLKSJQSA-N 1 3 328.407 2.133 10 0 EEAEHO Cc1nsc(C)c1C[NH2+]CCCN(C)C(=O)CN(C)C1CCC1 ZINC001498561306 1107723505 /nfs/dbraw/zinc/72/35/05/1107723505.db2.gz ZWEGDTQASVUNGM-UHFFFAOYSA-N 1 3 338.521 2.182 10 0 EEAEHO CC(C)Oc1cccc(C[NH2+]CCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001493694051 1108521309 /nfs/dbraw/zinc/52/13/09/1108521309.db2.gz AWSBFNCDNKUXJQ-QGZVFWFLSA-N 1 3 347.503 2.364 10 0 EEAEHO CC1CCC(CN2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)CC1 ZINC001472959454 1110568585 /nfs/dbraw/zinc/56/85/85/1110568585.db2.gz QEOSNHHKZNUBTO-TVPLGVNVSA-N 1 3 333.520 2.299 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCc2ccsc2)C1 ZINC001479340614 1110683401 /nfs/dbraw/zinc/68/34/01/1110683401.db2.gz UXQAJIFDWWZUBE-IYBDPMFKSA-N 1 3 346.500 2.439 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1([NH2+]C[C@H]2CCc3ccccc3C2)CC1 ZINC001499458153 1112295414 /nfs/dbraw/zinc/29/54/14/1112295414.db2.gz ASMQFDVQBDSRCK-KRWDZBQOSA-N 1 3 343.515 2.370 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001502079414 1113579320 /nfs/dbraw/zinc/57/93/20/1113579320.db2.gz PMFMEVLETHJJHJ-GOSISDBHSA-N 1 3 348.491 2.130 10 0 EEAEHO COc1ncccc1C[N@H+](C)CCCN(C)C(=O)C1CC2CC2C1 ZINC001502366164 1113648264 /nfs/dbraw/zinc/64/82/64/1113648264.db2.gz YQHRVVDJBDJIQW-FVQHAEBGSA-N 1 3 331.460 2.417 10 0 EEAEHO COc1ncccc1C[N@@H+](C)CCCN(C)C(=O)C1CC2CC2C1 ZINC001502366164 1113648268 /nfs/dbraw/zinc/64/82/68/1113648268.db2.gz YQHRVVDJBDJIQW-FVQHAEBGSA-N 1 3 331.460 2.417 10 0 EEAEHO CCc1nc(CNC2(C)CCN(C(=O)CC[NH+](C)C)CC2)cs1 ZINC001502795432 1113802776 /nfs/dbraw/zinc/80/27/76/1113802776.db2.gz LPBAXGGPTDJATN-UHFFFAOYSA-N 1 3 338.521 2.128 10 0 EEAEHO CC(C)N(CCN(C)C[C@H]1CCCCO1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507833594 1115355635 /nfs/dbraw/zinc/35/56/35/1115355635.db2.gz CHIATOXIYRUUMS-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(CCN(C)C[C@H]1CCCCO1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507833594 1115355638 /nfs/dbraw/zinc/35/56/38/1115355638.db2.gz CHIATOXIYRUUMS-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1cc(CN[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]2C)on1 ZINC001568368957 1124441523 /nfs/dbraw/zinc/44/15/23/1124441523.db2.gz HRXHZQKNYSPMSQ-RHSMWYFYSA-N 1 3 336.480 2.042 10 0 EEAEHO CN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCCc1cccc(F)c1 ZINC001568827219 1124845474 /nfs/dbraw/zinc/84/54/74/1124845474.db2.gz KYGMFAMTMZPPPD-KVLZDYKBSA-N 1 3 333.451 2.115 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001568866363 1124891914 /nfs/dbraw/zinc/89/19/14/1124891914.db2.gz SGHKADYVBYOYPG-JXCVUKRWSA-N 1 3 330.476 2.026 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568866363 1124891918 /nfs/dbraw/zinc/89/19/18/1124891918.db2.gz SGHKADYVBYOYPG-JXCVUKRWSA-N 1 3 330.476 2.026 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC[C@H]1CCc2ccccc21 ZINC001568898091 1124926377 /nfs/dbraw/zinc/92/63/77/1124926377.db2.gz IJWJXGVBSGBNJL-SRXMEYSWSA-N 1 3 341.499 2.463 10 0 EEAEHO C[C@@H](CNCc1ccnc(Cl)c1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001569075935 1125082208 /nfs/dbraw/zinc/08/22/08/1125082208.db2.gz KALTXDRIVDFDLD-YDHLFZDLSA-N 1 3 338.883 2.060 10 0 EEAEHO C[C@@H](CNCc1ccnc(Cl)c1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001569075935 1125082218 /nfs/dbraw/zinc/08/22/18/1125082218.db2.gz KALTXDRIVDFDLD-YDHLFZDLSA-N 1 3 338.883 2.060 10 0 EEAEHO COc1c(C)cnc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000072267444 216087253 /nfs/dbraw/zinc/08/72/53/216087253.db2.gz SLBFYSGSYQSJAE-HNNXBMFYSA-N 1 3 335.492 2.232 10 0 EEAEHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2nc(C)cs2)CC[NH2+]CC1 ZINC000422705828 240183499 /nfs/dbraw/zinc/18/34/99/240183499.db2.gz SHEDDBHPLUODMS-STQMWFEESA-N 1 3 325.478 2.424 10 0 EEAEHO CSC1(CNCc2cnnn2Cc2ccccc2)CC[NH+](C)CC1 ZINC000491590608 246080402 /nfs/dbraw/zinc/08/04/02/246080402.db2.gz BQQKNNGMBBBWKJ-UHFFFAOYSA-N 1 3 345.516 2.243 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CCN1C ZINC000276054604 256398815 /nfs/dbraw/zinc/39/88/15/256398815.db2.gz AQDRJPIHIGRVCX-APWZRJJASA-N 1 3 346.519 2.415 10 0 EEAEHO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)CC(C)C ZINC000173687887 152188475 /nfs/dbraw/zinc/18/84/75/152188475.db2.gz FEBRRDBWRGAGHN-ZWKOTPCHSA-N 1 3 336.524 2.399 10 0 EEAEHO C[C@@H](CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C)C[NH+]1CCCC1 ZINC000127961790 292333518 /nfs/dbraw/zinc/33/35/18/292333518.db2.gz WMWCXIWGJDRMBI-HKUYNNGSSA-N 1 3 346.519 2.190 10 0 EEAEHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000078541277 159120536 /nfs/dbraw/zinc/12/05/36/159120536.db2.gz BENLGRSUUMOPAV-AEFFLSMTSA-N 1 3 334.508 2.189 10 0 EEAEHO C[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274908597 269072973 /nfs/dbraw/zinc/07/29/73/269072973.db2.gz MOSJNUYQCQCKIE-CEWLAPEOSA-N 1 3 345.531 2.333 10 0 EEAEHO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)C12CCC2 ZINC000347233104 279819539 /nfs/dbraw/zinc/81/95/39/279819539.db2.gz QCZPMZBWSJBYHN-GVDBMIGSSA-N 1 3 339.524 2.016 10 0 EEAEHO CC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H](O)C(F)F ZINC000423153482 280963834 /nfs/dbraw/zinc/96/38/34/280963834.db2.gz GSNOUBIZSGOYPE-TZDHZFECSA-N 1 3 326.387 2.237 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000281182935 292739354 /nfs/dbraw/zinc/73/93/54/292739354.db2.gz LXJLOOJWVGPJPB-LJQANCHMSA-N 1 3 346.519 2.287 10 0 EEAEHO COc1cc([C@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)ccc1F ZINC000349199357 312293263 /nfs/dbraw/zinc/29/32/63/312293263.db2.gz DUWQJKRFKZJDCB-DZGCQCFKSA-N 1 3 337.439 2.072 10 0 EEAEHO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C[C@@H](N)CC(C)C)C1 ZINC000414733621 313071877 /nfs/dbraw/zinc/07/18/77/313071877.db2.gz CTTAXTCZCKPSAE-KBPBESRZSA-N 1 3 337.430 2.483 10 0 EEAEHO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](C[C@@H](N)CC(C)C)C1 ZINC000414733621 313071879 /nfs/dbraw/zinc/07/18/79/313071879.db2.gz CTTAXTCZCKPSAE-KBPBESRZSA-N 1 3 337.430 2.483 10 0 EEAEHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(F)(c3ccccc3)CC2)C1 ZINC000414759646 313078457 /nfs/dbraw/zinc/07/84/57/313078457.db2.gz WPLDSPPAKNJNIQ-MRXNPFEDSA-N 1 3 333.451 2.145 10 0 EEAEHO CN(C)CCOc1cccc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000414894687 313108874 /nfs/dbraw/zinc/10/88/74/313108874.db2.gz ZVUOVECDWSAICO-IBGZPJMESA-N 1 3 346.475 2.234 10 0 EEAEHO O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CCCNCC1 ZINC000416901081 313354931 /nfs/dbraw/zinc/35/49/31/313354931.db2.gz JSONVOUZRFTMGX-UHFFFAOYSA-N 1 3 330.476 2.177 10 0 EEAEHO C[NH+](C)C1CCN(CCNCc2cnc(-c3ccncc3)s2)CC1 ZINC000440341292 315124246 /nfs/dbraw/zinc/12/42/46/315124246.db2.gz PNGWGJYKMMLRIP-UHFFFAOYSA-N 1 3 345.516 2.321 10 0 EEAEHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC2(CC[NH2+]2)CC1 ZINC000564951308 319131866 /nfs/dbraw/zinc/13/18/66/319131866.db2.gz KGJYIWMMSRDNPP-UHFFFAOYSA-N 1 3 327.472 2.253 10 0 EEAEHO O=C(NCc1ccccc1CN1CCCCC1)N[C@H]1CCC[NH2+]C1 ZINC000573904440 319976599 /nfs/dbraw/zinc/97/65/99/319976599.db2.gz CDPMIHXCTFBJHS-SFHVURJKSA-N 1 3 330.476 2.224 10 0 EEAEHO CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000574762900 320054943 /nfs/dbraw/zinc/05/49/43/320054943.db2.gz AHRPEOALOYLLMU-RTBURBONSA-N 1 3 330.472 2.084 10 0 EEAEHO CC[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1c(C)nn(C)c1C ZINC000337316797 465302561 /nfs/dbraw/zinc/30/25/61/465302561.db2.gz KVXPUIBYZPDHLP-GOSISDBHSA-N 1 3 335.540 2.494 10 0 EEAEHO CN(C)C[C@H]1CC[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000113513083 462598217 /nfs/dbraw/zinc/59/82/17/462598217.db2.gz AFFKHBBILSSBHZ-WBVHZDCISA-N 1 3 326.868 2.101 10 0 EEAEHO CN(C)C[C@H]1CC[N@@H+](C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000113513083 462598221 /nfs/dbraw/zinc/59/82/21/462598221.db2.gz AFFKHBBILSSBHZ-WBVHZDCISA-N 1 3 326.868 2.101 10 0 EEAEHO CN(Cc1ccccc1)C[C@H](O)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151151237 463485735 /nfs/dbraw/zinc/48/57/35/463485735.db2.gz FHKHYSKGDIDODY-SFTDATJTSA-N 1 3 345.531 2.430 10 0 EEAEHO C[NH2+][C@@H](C)Cc1noc(-c2ccc(N3CCN(C(C)C)CC3)cc2)n1 ZINC000261679693 463824593 /nfs/dbraw/zinc/82/45/93/463824593.db2.gz GSXKHBUXDGGZTB-HNNXBMFYSA-N 1 3 343.475 2.417 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000262661059 464037161 /nfs/dbraw/zinc/03/71/61/464037161.db2.gz GJWGACQRHBGNMY-NZSAHSFTSA-N 1 3 329.488 2.457 10 0 EEAEHO Cc1cccn2c(CN(C)CC3CC[NH+](C[C@@H](C)O)CC3)cnc12 ZINC000179516832 464151061 /nfs/dbraw/zinc/15/10/61/464151061.db2.gz NBVPZBPHSJOBEW-MRXNPFEDSA-N 1 3 330.476 2.167 10 0 EEAEHO COC[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)C1CCOCC1 ZINC000187789170 464163161 /nfs/dbraw/zinc/16/31/61/464163161.db2.gz CEFYFVNNRNFGAE-IBGZPJMESA-N 1 3 336.476 2.158 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@@H]1c1ccccc1 ZINC000270245526 464231480 /nfs/dbraw/zinc/23/14/80/464231480.db2.gz DKIMGZXGALSWPI-XWSJACJDSA-N 1 3 342.487 2.358 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@@H]1c1ccccc1 ZINC000270245526 464231486 /nfs/dbraw/zinc/23/14/86/464231486.db2.gz DKIMGZXGALSWPI-XWSJACJDSA-N 1 3 342.487 2.358 10 0 EEAEHO COc1ccc([C@H]2[C@@H](CNC(=O)C3CC[NH2+]CC3)CCCN2C)cc1 ZINC000237380303 464311332 /nfs/dbraw/zinc/31/13/32/464311332.db2.gz FDFHIIMQVFKPLH-MJGOQNOKSA-N 1 3 345.487 2.194 10 0 EEAEHO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245649061 464501577 /nfs/dbraw/zinc/50/15/77/464501577.db2.gz MJARVHTWWNNDEU-MSOLQXFVSA-N 1 3 332.492 2.463 10 0 EEAEHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCN(C)Cc2ccccc2)[C@@H](C)C1 ZINC000246433445 464583940 /nfs/dbraw/zinc/58/39/40/464583940.db2.gz MWSJWIRJNPIMAP-PKOBYXMFSA-N 1 3 346.519 2.490 10 0 EEAEHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCN(C)Cc2ccccc2)[C@@H](C)C1 ZINC000246433445 464583945 /nfs/dbraw/zinc/58/39/45/464583945.db2.gz MWSJWIRJNPIMAP-PKOBYXMFSA-N 1 3 346.519 2.490 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)N[C@H]3CCC[N@H+](CC)C3)cc2)CC1 ZINC000175607689 464585051 /nfs/dbraw/zinc/58/50/51/464585051.db2.gz FIEPNXGFHGFIAB-SFHVURJKSA-N 1 3 344.503 2.043 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)N[C@H]3CCC[N@@H+](CC)C3)cc2)CC1 ZINC000175607689 464585056 /nfs/dbraw/zinc/58/50/56/464585056.db2.gz FIEPNXGFHGFIAB-SFHVURJKSA-N 1 3 344.503 2.043 10 0 EEAEHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247595467 464697552 /nfs/dbraw/zinc/69/75/52/464697552.db2.gz SEGHOYQZRVRGJC-RBUKOAKNSA-N 1 3 342.487 2.313 10 0 EEAEHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247595467 464697555 /nfs/dbraw/zinc/69/75/55/464697555.db2.gz SEGHOYQZRVRGJC-RBUKOAKNSA-N 1 3 342.487 2.313 10 0 EEAEHO C[C@H]1CCC[N@H+](CCNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000249685405 464903103 /nfs/dbraw/zinc/90/31/03/464903103.db2.gz GHRQIHUTSDIGJZ-PKOBYXMFSA-N 1 3 346.519 2.190 10 0 EEAEHO C[C@H]1CCC[N@@H+](CCNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000249685405 464903107 /nfs/dbraw/zinc/90/31/07/464903107.db2.gz GHRQIHUTSDIGJZ-PKOBYXMFSA-N 1 3 346.519 2.190 10 0 EEAEHO CN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CN2CCC1CC2 ZINC000347945245 465327589 /nfs/dbraw/zinc/32/75/89/465327589.db2.gz JOLXWOWFFFBJEN-PMACEKPBSA-N 1 3 341.499 2.451 10 0 EEAEHO CN(C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CN2CCC1CC2 ZINC000347945245 465327594 /nfs/dbraw/zinc/32/75/94/465327594.db2.gz JOLXWOWFFFBJEN-PMACEKPBSA-N 1 3 341.499 2.451 10 0 EEAEHO Cn1cc(-c2cc(CN3CCCC4(CC[NH+](C)CC4)C3)on2)cn1 ZINC000366868612 465984729 /nfs/dbraw/zinc/98/47/29/465984729.db2.gz YVAGQMZDDKWADD-UHFFFAOYSA-N 1 3 329.448 2.383 10 0 EEAEHO C[C@@H](CCNC(=O)N1CCN2CCC1CC2)[N@H+](C)Cc1ccccc1 ZINC000367415197 466322763 /nfs/dbraw/zinc/32/27/63/466322763.db2.gz LCMCAHADZQYLSX-KRWDZBQOSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@@H](CCNC(=O)N1CCN2CCC1CC2)[N@@H+](C)Cc1ccccc1 ZINC000367415197 466322772 /nfs/dbraw/zinc/32/27/72/466322772.db2.gz LCMCAHADZQYLSX-KRWDZBQOSA-N 1 3 344.503 2.387 10 0 EEAEHO COc1ccc([C@H](N[C@@H]2CNCCC2(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000423468407 466753909 /nfs/dbraw/zinc/75/39/09/466753909.db2.gz BXAOMUAXVRFGGY-XHSDSOJGSA-N 1 3 325.403 2.075 10 0 EEAEHO C[C@@H]1CCC[C@@](CNC(=O)NC[C@H](N)c2ccccc2)([NH+](C)C)C1 ZINC000417218753 466806088 /nfs/dbraw/zinc/80/60/88/466806088.db2.gz UCRXRNVRLLFTKL-HHXXYDBFSA-N 1 3 332.492 2.496 10 0 EEAEHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373499113 466823544 /nfs/dbraw/zinc/82/35/44/466823544.db2.gz VEZGDBICUSTLTE-UMQBVGHOSA-N 1 3 334.508 2.272 10 0 EEAEHO Cc1ccc([C@@H](CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000417314168 466831414 /nfs/dbraw/zinc/83/14/14/466831414.db2.gz QTZWQJIBYPEOLL-QZTJIDSGSA-N 1 3 330.476 2.134 10 0 EEAEHO N[C@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000417792486 466936675 /nfs/dbraw/zinc/93/66/75/466936675.db2.gz KOAOOJFNTUHWFS-ZWKOTPCHSA-N 1 3 330.476 2.250 10 0 EEAEHO N[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000417792486 466936680 /nfs/dbraw/zinc/93/66/80/466936680.db2.gz KOAOOJFNTUHWFS-ZWKOTPCHSA-N 1 3 330.476 2.250 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@@H](C)C1 ZINC000365897161 466981791 /nfs/dbraw/zinc/98/17/91/466981791.db2.gz VORBTFDIPMCLHL-RLFYNMQTSA-N 1 3 327.488 2.388 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@@H](C)C1 ZINC000365897161 466981793 /nfs/dbraw/zinc/98/17/93/466981793.db2.gz VORBTFDIPMCLHL-RLFYNMQTSA-N 1 3 327.488 2.388 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)[C@H]1c1ccccc1 ZINC000417942482 466995890 /nfs/dbraw/zinc/99/58/90/466995890.db2.gz OAPKDYPKGSMWLO-NSHGMRRFSA-N 1 3 342.487 2.217 10 0 EEAEHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000417952039 467001041 /nfs/dbraw/zinc/00/10/41/467001041.db2.gz XQFQQXGSGSSOAN-FGTMMUONSA-N 1 3 332.492 2.447 10 0 EEAEHO N[C@@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000418452318 467113032 /nfs/dbraw/zinc/11/30/32/467113032.db2.gz NTXNDFJAWNSSKX-SFHVURJKSA-N 1 3 330.476 2.204 10 0 EEAEHO CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418467687 467115173 /nfs/dbraw/zinc/11/51/73/467115173.db2.gz OVHIFIPZOKEZRA-ROUUACIJSA-N 1 3 332.492 2.420 10 0 EEAEHO O=C1NCCC[C@@H]1N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433167091 467300524 /nfs/dbraw/zinc/30/05/24/467300524.db2.gz HRCVLRBENVKMEE-SFHVURJKSA-N 1 3 327.472 2.253 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000398095278 467446862 /nfs/dbraw/zinc/44/68/62/467446862.db2.gz XKRFKEKWPALEDO-YSHGAJCASA-N 1 3 329.488 2.388 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000570617970 468665919 /nfs/dbraw/zinc/66/59/19/468665919.db2.gz FJMDHXDVXMGGLX-OGWHTMIXSA-N 1 3 344.503 2.194 10 0 EEAEHO CC(C)(C)OC(=O)C1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCOCC1 ZINC000592376010 468685602 /nfs/dbraw/zinc/68/56/02/468685602.db2.gz WLFCHNOPFYYJLA-CVEARBPZSA-N 1 3 338.492 2.341 10 0 EEAEHO CC(C)(C)OC(=O)C1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCOCC1 ZINC000592376010 468685604 /nfs/dbraw/zinc/68/56/04/468685604.db2.gz WLFCHNOPFYYJLA-CVEARBPZSA-N 1 3 338.492 2.341 10 0 EEAEHO NC[C@H]1c2ccccc2CCN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000584468601 468878944 /nfs/dbraw/zinc/87/89/44/468878944.db2.gz ZOCDWBDPQSHBGR-TVPLGVNVSA-N 1 3 342.487 2.271 10 0 EEAEHO CN1CC[C@@H](NC(=O)NCCC2=CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000572499517 468942436 /nfs/dbraw/zinc/94/24/36/468942436.db2.gz FWLJCJYAMIRPLM-QZTJIDSGSA-N 1 3 328.460 2.041 10 0 EEAEHO CN1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000615182552 469173325 /nfs/dbraw/zinc/17/33/25/469173325.db2.gz KMVRCICYOHMFHD-UFYCRDLUSA-N 1 3 341.499 2.104 10 0 EEAEHO CN1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000615182552 469173329 /nfs/dbraw/zinc/17/33/29/469173329.db2.gz KMVRCICYOHMFHD-UFYCRDLUSA-N 1 3 341.499 2.104 10 0 EEAEHO CS[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596646338 469320430 /nfs/dbraw/zinc/32/04/30/469320430.db2.gz QSKXJSMNQWYDOX-ARFHVFGLSA-N 1 3 344.569 2.232 10 0 EEAEHO CS[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596646338 469320432 /nfs/dbraw/zinc/32/04/32/469320432.db2.gz QSKXJSMNQWYDOX-ARFHVFGLSA-N 1 3 344.569 2.232 10 0 EEAEHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCCN(C)C2)c1 ZINC000618552448 469387246 /nfs/dbraw/zinc/38/72/46/469387246.db2.gz ZWNRHVMJFDWANU-GOSISDBHSA-N 1 3 332.492 2.422 10 0 EEAEHO COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617502667 469700799 /nfs/dbraw/zinc/70/07/99/469700799.db2.gz YENACTRGMUJXQK-RYQLBKOJSA-N 1 3 347.503 2.187 10 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/nfs/dbraw/zinc/99/03/48/469990348.db2.gz IRCSEGFZVFDOPC-KRWDZBQOSA-N 1 3 330.476 2.146 10 0 EEAEHO CN1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625567854 470164482 /nfs/dbraw/zinc/16/44/82/470164482.db2.gz XQDMYLPXHOWODB-HSALFYBXSA-N 1 3 341.499 2.355 10 0 EEAEHO CN1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625567854 470164483 /nfs/dbraw/zinc/16/44/83/470164483.db2.gz XQDMYLPXHOWODB-HSALFYBXSA-N 1 3 341.499 2.355 10 0 EEAEHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000649342741 470552368 /nfs/dbraw/zinc/55/23/68/470552368.db2.gz MHZLUOQJDJSBID-MSOLQXFVSA-N 1 3 329.488 2.498 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000646850196 470754791 /nfs/dbraw/zinc/75/47/91/470754791.db2.gz WVPRGKOWFGFHJE-MSOLQXFVSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000646850196 470754794 /nfs/dbraw/zinc/75/47/94/470754794.db2.gz WVPRGKOWFGFHJE-MSOLQXFVSA-N 1 3 329.488 2.451 10 0 EEAEHO CC[C@@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000644654429 471006050 /nfs/dbraw/zinc/00/60/50/471006050.db2.gz MISWJZDLALMKDU-RTBURBONSA-N 1 3 332.488 2.276 10 0 EEAEHO CC[C@@H](O)CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000644654429 471006054 /nfs/dbraw/zinc/00/60/54/471006054.db2.gz MISWJZDLALMKDU-RTBURBONSA-N 1 3 332.488 2.276 10 0 EEAEHO CC[C@@H](O)CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000644654429 471006058 /nfs/dbraw/zinc/00/60/58/471006058.db2.gz MISWJZDLALMKDU-RTBURBONSA-N 1 3 332.488 2.276 10 0 EEAEHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000654560964 471071994 /nfs/dbraw/zinc/07/19/94/471071994.db2.gz XSMYJHZCCFHMSU-JONQDZQNSA-N 1 3 336.480 2.348 10 0 EEAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cnn(-c2ccccc2)c1 ZINC000657572699 471172663 /nfs/dbraw/zinc/17/26/63/471172663.db2.gz BWVKBMBZBJXPPO-KRWDZBQOSA-N 1 3 329.492 2.234 10 0 EEAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cncc(Br)c1 ZINC000657573763 471173568 /nfs/dbraw/zinc/17/35/68/471173568.db2.gz SODJQJXYIIGKQX-ZDUSSCGKSA-N 1 3 343.313 2.206 10 0 EEAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)C1 ZINC000657596874 471179576 /nfs/dbraw/zinc/17/95/76/471179576.db2.gz PCHFBCAGLHOZQS-RTBURBONSA-N 1 3 330.472 2.445 10 0 EEAEHO NC[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc(C[NH3+])cc1F ZINC000652268859 471264569 /nfs/dbraw/zinc/26/45/69/471264569.db2.gz OFEXKYHOZACROP-GOSISDBHSA-N 1 3 342.418 2.052 10 0 EEAEHO CN(C(=O)NCCC1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000652315894 471271277 /nfs/dbraw/zinc/27/12/77/471271277.db2.gz HQEQCAPDIJBAIH-LJQANCHMSA-N 1 3 344.503 2.292 10 0 EEAEHO COC[C@@H](CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1)OC ZINC000660497177 471367627 /nfs/dbraw/zinc/36/76/27/471367627.db2.gz MHBBXDLJDRHBCR-JKSUJKDBSA-N 1 3 326.506 2.472 10 0 EEAEHO COC[C@@H](CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1)OC ZINC000660497177 471367634 /nfs/dbraw/zinc/36/76/34/471367634.db2.gz MHBBXDLJDRHBCR-JKSUJKDBSA-N 1 3 326.506 2.472 10 0 EEAEHO C[NH2+]CCCC(=O)N1CCC(NCc2ccc(F)cc2F)CC1 ZINC000663502161 471402632 /nfs/dbraw/zinc/40/26/32/471402632.db2.gz CVOHWQIFWRZVRR-UHFFFAOYSA-N 1 3 325.403 2.045 10 0 EEAEHO Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655825978 471496814 /nfs/dbraw/zinc/49/68/14/471496814.db2.gz ADPFTNXDDHCSGC-TXEJJXNPSA-N 1 3 334.386 2.099 10 0 EEAEHO CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@H](CN)C(F)(F)F ZINC000655924293 471542140 /nfs/dbraw/zinc/54/21/40/471542140.db2.gz JZSRKFNJVIKRME-GFCCVEGCSA-N 1 3 338.418 2.220 10 0 EEAEHO CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CCCCO1 ZINC000653875243 471764739 /nfs/dbraw/zinc/76/47/39/471764739.db2.gz SHVBWZKCNCHPMP-FHWLQOOXSA-N 1 3 347.503 2.343 10 0 EEAEHO CCN(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000664540007 471787657 /nfs/dbraw/zinc/78/76/57/471787657.db2.gz IASLATAAVAYEKW-KZNAEPCWSA-N 1 3 330.476 2.167 10 0 EEAEHO CCN(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)[C@@H]1CC[N@@H+](C)C1 ZINC000664540007 471787661 /nfs/dbraw/zinc/78/76/61/471787661.db2.gz IASLATAAVAYEKW-KZNAEPCWSA-N 1 3 330.476 2.167 10 0 EEAEHO O[C@]1(C2CC2)CCCN(C/C=C\C[N@@H+]2CCC[C@](O)(C3CC3)C2)C1 ZINC000661631419 471834987 /nfs/dbraw/zinc/83/49/87/471834987.db2.gz KPECFVWCEXYUHI-JLGNTZPISA-N 1 3 334.504 2.016 10 0 EEAEHO O[C@]1(C2CC2)CCCN(C/C=C\C[N@H+]2CCC[C@](O)(C3CC3)C2)C1 ZINC000661631419 471834991 /nfs/dbraw/zinc/83/49/91/471834991.db2.gz KPECFVWCEXYUHI-JLGNTZPISA-N 1 3 334.504 2.016 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000654444770 471962767 /nfs/dbraw/zinc/96/27/67/471962767.db2.gz CGHGNXLITFJJHX-GBESFXJTSA-N 1 3 344.503 2.290 10 0 EEAEHO Cc1ccc([C@@H]2C[C@H]2NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000665207723 471969245 /nfs/dbraw/zinc/96/92/45/471969245.db2.gz XBHJJSGJKDUPBN-YTQUADARSA-N 1 3 346.519 2.422 10 0 EEAEHO Cc1ccc([C@@H]2C[C@H]2NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000665207723 471969247 /nfs/dbraw/zinc/96/92/47/471969247.db2.gz XBHJJSGJKDUPBN-YTQUADARSA-N 1 3 346.519 2.422 10 0 EEAEHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000665364243 472021550 /nfs/dbraw/zinc/02/15/50/472021550.db2.gz MQIDSDYTVIRIKR-IRXDYDNUSA-N 1 3 336.524 2.233 10 0 EEAEHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000665364243 472021556 /nfs/dbraw/zinc/02/15/56/472021556.db2.gz MQIDSDYTVIRIKR-IRXDYDNUSA-N 1 3 336.524 2.233 10 0 EEAEHO CCC[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CCN1Cc1ccccc1 ZINC000662281148 472055236 /nfs/dbraw/zinc/05/52/36/472055236.db2.gz UDLIURKZRFZPHP-UXHICEINSA-N 1 3 343.515 2.494 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662452893 472114326 /nfs/dbraw/zinc/11/43/26/472114326.db2.gz QKKPSWMQRMGNEU-OKILXGFUSA-N 1 3 334.464 2.134 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000665639298 472120258 /nfs/dbraw/zinc/12/02/58/472120258.db2.gz UHQDVIZBQXHTEQ-IXDOHACOSA-N 1 3 326.529 2.479 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000665639298 472120263 /nfs/dbraw/zinc/12/02/63/472120263.db2.gz UHQDVIZBQXHTEQ-IXDOHACOSA-N 1 3 326.529 2.479 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H]1CCC(C)(C)C1 ZINC000665763048 472176798 /nfs/dbraw/zinc/17/67/98/472176798.db2.gz XQQWOVKJFRABEZ-JKSUJKDBSA-N 1 3 326.529 2.479 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H]1CCC(C)(C)C1 ZINC000665763048 472176805 /nfs/dbraw/zinc/17/68/05/472176805.db2.gz XQQWOVKJFRABEZ-JKSUJKDBSA-N 1 3 326.529 2.479 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(F)(F)C(C)(C)C ZINC000665764391 472178798 /nfs/dbraw/zinc/17/87/98/472178798.db2.gz CZJVIWYXMAJJEY-ZDUSSCGKSA-N 1 3 336.471 2.239 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(F)(F)C(C)(C)C ZINC000665764391 472178801 /nfs/dbraw/zinc/17/88/01/472178801.db2.gz CZJVIWYXMAJJEY-ZDUSSCGKSA-N 1 3 336.471 2.239 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000662728225 472225467 /nfs/dbraw/zinc/22/54/67/472225467.db2.gz KAMPICZGVCMJAR-LJQANCHMSA-N 1 3 346.519 2.078 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662793634 472253082 /nfs/dbraw/zinc/25/30/82/472253082.db2.gz KWZBELCQLSPAOR-UKRRQHHQSA-N 1 3 342.443 2.119 10 0 EEAEHO CN(C)CCOc1ccc(CN2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000668784409 472266065 /nfs/dbraw/zinc/26/60/65/472266065.db2.gz FTMPDMIKHZMEMJ-FQEVSTJZSA-N 1 3 349.519 2.170 10 0 EEAEHO CC(C)C[N@H+](C)CCCNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000651194438 485533033 /nfs/dbraw/zinc/53/30/33/485533033.db2.gz GRBPSQGISDGDBR-MRXNPFEDSA-N 1 3 326.529 2.336 10 0 EEAEHO CC(C)C[N@@H+](C)CCCNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000651194438 485533039 /nfs/dbraw/zinc/53/30/39/485533039.db2.gz GRBPSQGISDGDBR-MRXNPFEDSA-N 1 3 326.529 2.336 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000626955115 485695790 /nfs/dbraw/zinc/69/57/90/485695790.db2.gz UBFDDYLTOSBWGL-GBESFXJTSA-N 1 3 344.503 2.338 10 0 EEAEHO CCC[C@H](C)CCCN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000629542877 485730548 /nfs/dbraw/zinc/73/05/48/485730548.db2.gz OADCJISWPPQGSL-SZMVWBNQSA-N 1 3 336.524 2.423 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000073476855 490587876 /nfs/dbraw/zinc/58/78/76/490587876.db2.gz DZFCXNYAUFPORR-SFHVURJKSA-N 1 3 342.487 2.207 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](CN(C)C)C(C)C)CC1 ZINC000751893800 577761746 /nfs/dbraw/zinc/76/17/46/577761746.db2.gz VDKHUBZNECKZFM-KRWDZBQOSA-N 1 3 332.492 2.309 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCC2(CCC2)CO1 ZINC000898584706 693385040 /nfs/dbraw/zinc/38/50/40/693385040.db2.gz INHFRGUWOHWNCS-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCC2(CCC2)CO1 ZINC000898584706 693385044 /nfs/dbraw/zinc/38/50/44/693385044.db2.gz INHFRGUWOHWNCS-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(C)c3)C[C@H]21 ZINC001485624334 1191866789 /nfs/dbraw/zinc/86/67/89/1191866789.db2.gz SFCSZSADYGRXFF-LDLYASANSA-N 1 3 329.488 2.131 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(C)c3)C[C@H]21 ZINC001485624334 1191866791 /nfs/dbraw/zinc/86/67/91/1191866791.db2.gz SFCSZSADYGRXFF-LDLYASANSA-N 1 3 329.488 2.131 10 0 EEAEHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]CC[C@H]1CCCO1)C1CCC1 ZINC001266870447 1177654654 /nfs/dbraw/zinc/65/46/54/1177654654.db2.gz JZTKURXBLLYJKP-QZTJIDSGSA-N 1 3 337.508 2.011 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001731532782 1178825400 /nfs/dbraw/zinc/82/54/00/1178825400.db2.gz YSXXBHPKOIBCLH-ZDUSSCGKSA-N 1 3 336.307 2.475 10 0 EEAEHO CN(CC[NH2+]Cc1ccccc1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001267428888 1178996360 /nfs/dbraw/zinc/99/63/60/1178996360.db2.gz FZVSBTWDUGKEIL-LJQANCHMSA-N 1 3 335.467 2.447 10 0 EEAEHO Cc1ccc(C[NH2+]CCN(C)C(=O)CN2CCC(C)CC2)cc1F ZINC001267446423 1179021436 /nfs/dbraw/zinc/02/14/36/1179021436.db2.gz RRPBJAZIWDPBQW-UHFFFAOYSA-N 1 3 335.467 2.414 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCN2CCOC(C)C)C1 ZINC001481052157 1179634317 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C[C@H](CCNCc1c(F)cccc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268367055 1182348346 /nfs/dbraw/zinc/34/83/46/1182348346.db2.gz RPYIJWHBVGHAQI-MGPQQGTHSA-N 1 3 339.430 2.289 10 0 EEAEHO C[C@H](CCNCc1c(F)cccc1F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268367055 1182348355 /nfs/dbraw/zinc/34/83/55/1182348355.db2.gz RPYIJWHBVGHAQI-MGPQQGTHSA-N 1 3 339.430 2.289 10 0 EEAEHO CC[C@H](C(=O)N[C@](C)(C[NH2+]Cc1cnc(C)s1)C1CC1)N(C)C ZINC001481933554 1182982444 /nfs/dbraw/zinc/98/24/44/1182982444.db2.gz LQYQEDRFNIFDIS-NVXWUHKLSA-N 1 3 338.521 2.166 10 0 EEAEHO CN(CCC[NH2+]Cc1cc(F)ccc1F)C(=O)[C@H]1CCCCN1C ZINC001268803249 1183721073 /nfs/dbraw/zinc/72/10/73/1183721073.db2.gz XRDRLYUXDFXCBK-QGZVFWFLSA-N 1 3 339.430 2.387 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CCC[C@H](CCNCc2cnc(C)o2)C1 ZINC001269786414 1184623822 /nfs/dbraw/zinc/62/38/22/1184623822.db2.gz UUPFUQXUDKMOHD-MRXNPFEDSA-N 1 3 336.480 2.043 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](CCNCc2cnc(C)o2)C1 ZINC001269786414 1184623823 /nfs/dbraw/zinc/62/38/23/1184623823.db2.gz UUPFUQXUDKMOHD-MRXNPFEDSA-N 1 3 336.480 2.043 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCOc2ccccc2)C[C@@H]1C ZINC001269989577 1184770130 /nfs/dbraw/zinc/77/01/30/1184770130.db2.gz ULRJIHILTAGZHF-ZWKOTPCHSA-N 1 3 347.503 2.375 10 0 EEAEHO C[C@@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)C1(N(C)C)CCC1 ZINC001270989357 1185790835 /nfs/dbraw/zinc/79/08/35/1185790835.db2.gz ZWTFYQNAUZXXJF-HNNXBMFYSA-N 1 3 335.467 2.289 10 0 EEAEHO Cc1ncc(CNC[C@@H]2CCC[C@@H]2NC(=O)CCC[NH+]2CCCC2)o1 ZINC001482698933 1187669046 /nfs/dbraw/zinc/66/90/46/1187669046.db2.gz UAKVMDDSDLQORV-WMZOPIPTSA-N 1 3 348.491 2.234 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001482699974 1187678332 /nfs/dbraw/zinc/67/83/32/1187678332.db2.gz XVAMSTZTLGSPFN-RBUKOAKNSA-N 1 3 331.504 2.444 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cnc(Cl)s1)N(C)C ZINC001482887540 1187804154 /nfs/dbraw/zinc/80/41/54/1187804154.db2.gz AHPZNLHMSCGOFV-AAEUAGOBSA-N 1 3 346.928 2.367 10 0 EEAEHO Cc1ncsc1C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001482889737 1187816670 /nfs/dbraw/zinc/81/66/70/1187816670.db2.gz RYDTWPHRUZLVJJ-DOMZBBRYSA-N 1 3 326.510 2.022 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CCNCc1cnccc1C ZINC001482926455 1187846575 /nfs/dbraw/zinc/84/65/75/1187846575.db2.gz BBHHOQXBVLKTAG-GOSISDBHSA-N 1 3 332.492 2.203 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CCNCc1cnccc1C ZINC001482926455 1187846580 /nfs/dbraw/zinc/84/65/80/1187846580.db2.gz BBHHOQXBVLKTAG-GOSISDBHSA-N 1 3 332.492 2.203 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCc1ccccc1 ZINC001483099267 1188475503 /nfs/dbraw/zinc/47/55/03/1188475503.db2.gz WYJIAEVJQVXDDY-IHHMQQGQSA-N 1 3 329.488 2.366 10 0 EEAEHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccnc(Cl)c1 ZINC001485876655 1193627685 /nfs/dbraw/zinc/62/76/85/1193627685.db2.gz IVNPVSOJUZRPMK-GZBFAFLISA-N 1 3 338.883 2.012 10 0 EEAEHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccnc(Cl)c1 ZINC001485876655 1193627687 /nfs/dbraw/zinc/62/76/87/1193627687.db2.gz IVNPVSOJUZRPMK-GZBFAFLISA-N 1 3 338.883 2.012 10 0 EEAEHO Cc1cncc(CN[C@H](C)CN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001485886333 1193629889 /nfs/dbraw/zinc/62/98/89/1193629889.db2.gz UWFWGZYNUMDYGA-SJLPKXTDSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1cncc(CN[C@H](C)CN(C)C(=O)CC[C@H]2CCC[N@H+]2C)c1 ZINC001485886333 1193629891 /nfs/dbraw/zinc/62/98/91/1193629891.db2.gz UWFWGZYNUMDYGA-SJLPKXTDSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1oncc1CN[C@@H](C)[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001409483062 1189844361 /nfs/dbraw/zinc/84/43/61/1189844361.db2.gz YSMQERLYPYEOAZ-UONOGXRCSA-N 1 3 344.459 2.341 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CC(F)(F)C1 ZINC001409582151 1190069080 /nfs/dbraw/zinc/06/90/80/1190069080.db2.gz WPDKVCAXIWSFCM-DZGCQCFKSA-N 1 3 331.451 2.343 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CC(F)(F)C1 ZINC001409582151 1190069085 /nfs/dbraw/zinc/06/90/85/1190069085.db2.gz WPDKVCAXIWSFCM-DZGCQCFKSA-N 1 3 331.451 2.343 10 0 EEAEHO CN(CCC[NH2+]C[C@@H]1CCc2ccccc2C1)C(=O)Cc1c[nH]cn1 ZINC001483495368 1190511854 /nfs/dbraw/zinc/51/18/54/1190511854.db2.gz XPCMUKZSJRRIDP-MRXNPFEDSA-N 1 3 340.471 2.195 10 0 EEAEHO CO[C@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001409819975 1190651826 /nfs/dbraw/zinc/65/18/26/1190651826.db2.gz AXBIIZDNURQAQN-SJORKVTESA-N 1 3 339.524 2.257 10 0 EEAEHO CO[C@H](C)C[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001409819975 1190651827 /nfs/dbraw/zinc/65/18/27/1190651827.db2.gz AXBIIZDNURQAQN-SJORKVTESA-N 1 3 339.524 2.257 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CCCCCF)C3)C2)C1 ZINC001483847154 1191082571 /nfs/dbraw/zinc/08/25/71/1191082571.db2.gz FWSIHRNRRQYDRL-IEBWSBKVSA-N 1 3 339.499 2.392 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CCCCCF)C3)C2)C1 ZINC001483847154 1191082572 /nfs/dbraw/zinc/08/25/72/1191082572.db2.gz FWSIHRNRRQYDRL-IEBWSBKVSA-N 1 3 339.499 2.392 10 0 EEAEHO CC[C@H](F)CN1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001484136412 1191227517 /nfs/dbraw/zinc/22/75/17/1191227517.db2.gz GEWGOLBOTNPICV-OWCLPIDISA-N 1 3 327.488 2.293 10 0 EEAEHO CC[C@H](F)CN1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001484136412 1191227519 /nfs/dbraw/zinc/22/75/19/1191227519.db2.gz GEWGOLBOTNPICV-OWCLPIDISA-N 1 3 327.488 2.293 10 0 EEAEHO COC[C@H](C)[N@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@@H](C)C1 ZINC001484557158 1191413676 /nfs/dbraw/zinc/41/36/76/1191413676.db2.gz GBIANRPMEGSGBQ-SJORKVTESA-N 1 3 347.503 2.111 10 0 EEAEHO COC[C@H](C)[N@@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@@H](C)C1 ZINC001484557158 1191413678 /nfs/dbraw/zinc/41/36/78/1191413678.db2.gz GBIANRPMEGSGBQ-SJORKVTESA-N 1 3 347.503 2.111 10 0 EEAEHO CC[NH2+]CC1(c2ccccc2)CCN(C(=O)CN2CCCC2)CC1 ZINC001484945484 1191588871 /nfs/dbraw/zinc/58/88/71/1191588871.db2.gz HFWYCSROQKMTLA-UHFFFAOYSA-N 1 3 329.488 2.252 10 0 EEAEHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC[C@H]1CCCCO1)N(C)C ZINC001485037849 1191627448 /nfs/dbraw/zinc/62/74/48/1191627448.db2.gz JEUCXEWUBZMRRX-RCCFBDPRSA-N 1 3 339.524 2.257 10 0 EEAEHO CCCC[NH2+]CC1CC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001485102811 1191652597 /nfs/dbraw/zinc/65/25/97/1191652597.db2.gz STEKRLNCKKXDKU-JMLCCBQJSA-N 1 3 327.488 2.483 10 0 EEAEHO COc1cccc(C[NH2+]CC2CC(NC(=O)CN(C)C(C)C)C2)c1C ZINC001485110482 1191657579 /nfs/dbraw/zinc/65/75/79/1191657579.db2.gz KKXGSDLRSIQZHQ-UHFFFAOYSA-N 1 3 347.503 2.328 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC2(C[NH2+]Cc3cccnc3)CCCCC2)C1 ZINC001485455853 1191791862 /nfs/dbraw/zinc/79/18/62/1191791862.db2.gz YBRVMEKELWOETB-QGZVFWFLSA-N 1 3 344.503 2.332 10 0 EEAEHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H](CNCc2c(F)cccc2F)C1 ZINC001410216405 1197610602 /nfs/dbraw/zinc/61/06/02/1197610602.db2.gz MLSUKTRKWRQFMU-HDJSIYSDSA-N 1 3 339.430 2.291 10 0 EEAEHO Cc1nc(C(C)C)ccc1CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410501727 1198057385 /nfs/dbraw/zinc/05/73/85/1198057385.db2.gz RABJCTWTEYXNOM-MAUKXSAKSA-N 1 3 346.519 2.402 10 0 EEAEHO Cc1nc(C(C)C)ccc1CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410501727 1198057392 /nfs/dbraw/zinc/05/73/92/1198057392.db2.gz RABJCTWTEYXNOM-MAUKXSAKSA-N 1 3 346.519 2.402 10 0 EEAEHO Cc1cccc(N2CCN(C(=O)CN(C)CCCCCC[NH3+])CC2)c1 ZINC000872155782 1198062186 /nfs/dbraw/zinc/06/21/86/1198062186.db2.gz WMAUTZWJULKBGL-UHFFFAOYSA-N 1 3 346.519 2.095 10 0 EEAEHO [NH3+][C@H](C[C@@H]1CCCN(C[C@@H]2CCS(=O)(=O)C2)C1)C1CCCC1 ZINC000872155989 1198063423 /nfs/dbraw/zinc/06/34/23/1198063423.db2.gz BZRNINBQIDZIQK-YQQAZPJKSA-N 1 3 328.522 2.041 10 0 EEAEHO CCCc1cccc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000872257415 1198115586 /nfs/dbraw/zinc/11/55/86/1198115586.db2.gz REEFXYPUEVAKQL-KSZLIROESA-N 1 3 329.444 2.006 10 0 EEAEHO CC[N@H+](CCNC(=O)CN1[C@@H](C)CC[C@@H]1C)CCC1CCOCC1 ZINC001493063200 1198791996 /nfs/dbraw/zinc/79/19/96/1198791996.db2.gz NMHHEKSROJXOMZ-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[N@@H+](CCNC(=O)CN1[C@@H](C)CC[C@@H]1C)CCC1CCOCC1 ZINC001493063200 1198792001 /nfs/dbraw/zinc/79/20/01/1198792001.db2.gz NMHHEKSROJXOMZ-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NCC(C)(C)C[NH+](C)C)cc(Cl)n1 ZINC000825789959 1199242988 /nfs/dbraw/zinc/24/29/88/1199242988.db2.gz DFLQLOQPHNVMGP-ZDUSSCGKSA-N 1 3 326.872 2.137 10 0 EEAEHO C[NH+](C)CC1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810647273 1199644425 /nfs/dbraw/zinc/64/44/25/1199644425.db2.gz FZZKLBCXTFYPFZ-JTTJXQCZSA-N 1 3 327.488 2.436 10 0 EEAEHO CCC[NH+]1CCC(NC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000826075968 1200698070 /nfs/dbraw/zinc/69/80/70/1200698070.db2.gz IUIBKWPOTSYVRI-OAHLLOKOSA-N 1 3 338.883 2.424 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868479237 1201819253 /nfs/dbraw/zinc/81/92/53/1201819253.db2.gz TYBBKFFGNXPGSR-NZSAHSFTSA-N 1 3 344.503 2.243 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868479237 1201819257 /nfs/dbraw/zinc/81/92/57/1201819257.db2.gz TYBBKFFGNXPGSR-NZSAHSFTSA-N 1 3 344.503 2.243 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC/C=C\C[NH2+]CCc2ccccc2Cl)C1 ZINC001274368001 1205011594 /nfs/dbraw/zinc/01/15/94/1205011594.db2.gz ILHJOTCAVZUACE-YIEVGGLXSA-N 1 3 349.906 2.486 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NC/C=C\CNCc2ccc(Cl)cc2)C1 ZINC001274498861 1205058514 /nfs/dbraw/zinc/05/85/14/1205058514.db2.gz RDMWVHGFZNSOCC-YPQKKHBXSA-N 1 3 335.879 2.444 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NC/C=C\CNCc2ccc(Cl)cc2)C1 ZINC001274498861 1205058517 /nfs/dbraw/zinc/05/85/17/1205058517.db2.gz RDMWVHGFZNSOCC-YPQKKHBXSA-N 1 3 335.879 2.444 10 0 EEAEHO CC(C)OCC[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001274786295 1205164677 /nfs/dbraw/zinc/16/46/77/1205164677.db2.gz LRUJJDSBBMGYLB-YJBOKZPZSA-N 1 3 345.503 2.108 10 0 EEAEHO C[C@H](C[NH2+]CCc1ccccc1Cl)NC(=O)C1(N(C)C)CCC1 ZINC001274787673 1205165505 /nfs/dbraw/zinc/16/55/05/1205165505.db2.gz RQULYANWTAMSQQ-CQSZACIVSA-N 1 3 337.895 2.461 10 0 EEAEHO C[NH+](C)CCCCC(=O)N1CCC[C@H]([C@H]2CCN(CCF)C2)C1 ZINC001275184529 1205276765 /nfs/dbraw/zinc/27/67/65/1205276765.db2.gz PXUPLEKQCXQGLW-IRXDYDNUSA-N 1 3 327.488 2.248 10 0 EEAEHO C[NH+](C)CCCCC(=O)N1CCC[C@@H]([C@@H]2CCN(CCF)C2)C1 ZINC001275184527 1205276817 /nfs/dbraw/zinc/27/68/17/1205276817.db2.gz PXUPLEKQCXQGLW-IAGOWNOFSA-N 1 3 327.488 2.248 10 0 EEAEHO Cc1nsc(C)c1C[NH2+]CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001276226448 1205843609 /nfs/dbraw/zinc/84/36/09/1205843609.db2.gz GLWGQOACBIQAHR-CYBMUJFWSA-N 1 3 338.521 2.040 10 0 EEAEHO COc1ccc(C)cc1C[NH2+]CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001276226135 1205843760 /nfs/dbraw/zinc/84/37/60/1205843760.db2.gz CHKRWCKNCIHKNM-KRWDZBQOSA-N 1 3 347.503 2.284 10 0 EEAEHO CC1(C)[C@@H](NC[C@@H](CO)Cc2ccc(F)c(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925658542 1206141196 /nfs/dbraw/zinc/14/11/96/1206141196.db2.gz PHBLZCKZKLEXCP-DACLVMHWSA-N 1 3 338.442 2.482 10 0 EEAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000925658542 1206141197 /nfs/dbraw/zinc/14/11/97/1206141197.db2.gz PHBLZCKZKLEXCP-DACLVMHWSA-N 1 3 338.442 2.482 10 0 EEAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000925670736 1206142133 /nfs/dbraw/zinc/14/21/33/1206142133.db2.gz OBWHTCXNOBQXHP-IKGGRYGDSA-N 1 3 341.455 2.039 10 0 EEAEHO COc1cc([C@@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)ccc1F ZINC000925856912 1206161647 /nfs/dbraw/zinc/16/16/47/1206161647.db2.gz OETDQZQSNRXKSH-OCCSQVGLSA-N 1 3 336.407 2.170 10 0 EEAEHO C[NH+](C)C1(CNC(=O)c2ccc(NC3=NCCC3)cc2)CCOCC1 ZINC000900713271 1234692476 /nfs/dbraw/zinc/69/24/76/1234692476.db2.gz DSTKEFVETAQALG-UHFFFAOYSA-N 1 3 344.459 2.131 10 0 EEAEHO Cc1cc([C@H]([NH3+])CC(=O)N2CCN(CC(C)C)CC2)cc(Cl)n1 ZINC000827284036 1239193801 /nfs/dbraw/zinc/19/38/01/1239193801.db2.gz SXMVMUIOPYKHNW-OAHLLOKOSA-N 1 3 338.883 2.234 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NCC[N@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827075943 1249786681 /nfs/dbraw/zinc/78/66/81/1249786681.db2.gz IICOEHMNOZDUTI-WFASDCNBSA-N 1 3 338.883 2.281 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827075943 1249786689 /nfs/dbraw/zinc/78/66/89/1249786689.db2.gz IICOEHMNOZDUTI-WFASDCNBSA-N 1 3 338.883 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NNSABODSEKHDFX-RDBSUJKOSA-N 1 3 348.318 2.474 10 0 EEAEHO CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)[C@H]1CC ZINC001566029397 1125505392 /nfs/dbraw/zinc/50/53/92/1125505392.db2.gz ZLKMAYPEXVYVDK-RCCFBDPRSA-N 1 3 339.524 2.112 10 0 EEAEHO CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)[C@H]1CC ZINC001566029397 1125505396 /nfs/dbraw/zinc/50/53/96/1125505396.db2.gz ZLKMAYPEXVYVDK-RCCFBDPRSA-N 1 3 339.524 2.112 10 0 EEAEHO CCOCCN1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H]1CC ZINC001566029397 1125505385 /nfs/dbraw/zinc/50/53/85/1125505385.db2.gz ZLKMAYPEXVYVDK-RCCFBDPRSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1nn(C(C)C)cc1CN(C)CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001566491368 1125657835 /nfs/dbraw/zinc/65/78/35/1125657835.db2.gz VKVQSUSBBSGWOP-MRXNPFEDSA-N 1 3 349.523 2.052 10 0 EEAEHO Cc1nn(C(C)C)cc1CN(C)CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001566491368 1125657842 /nfs/dbraw/zinc/65/78/42/1125657842.db2.gz VKVQSUSBBSGWOP-MRXNPFEDSA-N 1 3 349.523 2.052 10 0 EEAEHO C[C@H]([NH2+]CCOCC1CCC1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001566532871 1125702866 /nfs/dbraw/zinc/70/28/66/1125702866.db2.gz JEJUIPQCAWKQHF-MAUKXSAKSA-N 1 3 348.491 2.128 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@H]1[C@@H]2CCCN(Cc3cccnc3)[C@H]2C1(C)C ZINC001436448663 1087871440 /nfs/dbraw/zinc/87/14/40/1087871440.db2.gz QSCQYISBAUTVIW-QXAKKESOSA-N 1 3 344.503 2.139 10 0 EEAEHO Cc1ccncc1C[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001437325996 1089494365 /nfs/dbraw/zinc/49/43/65/1089494365.db2.gz SFHUKZPXTQJFCO-MSOLQXFVSA-N 1 3 332.492 2.247 10 0 EEAEHO C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1cc(C2CC2)no1 ZINC001437394828 1089651062 /nfs/dbraw/zinc/65/10/62/1089651062.db2.gz BKHJWILADJJSJH-YCPHGPKFSA-N 1 3 348.491 2.267 10 0 EEAEHO C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1cc(C2CC2)no1 ZINC001437394828 1089651073 /nfs/dbraw/zinc/65/10/73/1089651073.db2.gz BKHJWILADJJSJH-YCPHGPKFSA-N 1 3 348.491 2.267 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccnc1C ZINC001437426313 1089716354 /nfs/dbraw/zinc/71/63/54/1089716354.db2.gz HHXMCLHGJIQCOR-QAPCUYQASA-N 1 3 332.492 2.249 10 0 EEAEHO C[C@@H]1CC[C@@H](CN(C)CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)O1 ZINC001437484253 1089839562 /nfs/dbraw/zinc/83/95/62/1089839562.db2.gz NTHWSULCMXASKU-WBVHZDCISA-N 1 3 339.524 2.255 10 0 EEAEHO C[C@@H]1CC[C@@H](CN(C)CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)O1 ZINC001437484253 1089839576 /nfs/dbraw/zinc/83/95/76/1089839576.db2.gz NTHWSULCMXASKU-WBVHZDCISA-N 1 3 339.524 2.255 10 0 EEAEHO CC(C)[C@H](C(=O)NCC[C@@H]1CCN(Cc2cncs2)C1)[NH+](C)C ZINC001437939477 1090533495 /nfs/dbraw/zinc/53/34/95/1090533495.db2.gz KVTOZBSBGSZEBD-GDBMZVCRSA-N 1 3 338.521 2.058 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)NCc1ccns1 ZINC001438320388 1090795438 /nfs/dbraw/zinc/79/54/38/1090795438.db2.gz DPGZPOPSHDIICM-HOCLYGCPSA-N 1 3 338.521 2.248 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)NCc1ccns1 ZINC001438320388 1090795441 /nfs/dbraw/zinc/79/54/41/1090795441.db2.gz DPGZPOPSHDIICM-HOCLYGCPSA-N 1 3 338.521 2.248 10 0 EEAEHO Cc1ccc(F)c(CNC[C@](C)(NC(=O)CC[NH+](C)C)C2CC2)c1 ZINC001438423475 1090918599 /nfs/dbraw/zinc/91/85/99/1090918599.db2.gz ZCMUUNTVEJFWDG-IBGZPJMESA-N 1 3 335.467 2.460 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCOCC1 ZINC001438693815 1091196416 /nfs/dbraw/zinc/19/64/16/1091196416.db2.gz NPEFIXWVHHWLMI-AEFFLSMTSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@H](CCN[C@H](C)c1c(F)cccc1F)NC(=O)CC[NH+](C)C ZINC001439051008 1091697832 /nfs/dbraw/zinc/69/78/32/1091697832.db2.gz ASKWLZBRYPVJID-CHWSQXEVSA-N 1 3 327.419 2.462 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1cnn(C(C)(C)C)c1 ZINC001439114794 1091760113 /nfs/dbraw/zinc/76/01/13/1091760113.db2.gz OBEVPXFHLNZTBE-WBVHZDCISA-N 1 3 349.523 2.107 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1cnn(C(C)(C)C)c1 ZINC001439114794 1091760119 /nfs/dbraw/zinc/76/01/19/1091760119.db2.gz OBEVPXFHLNZTBE-WBVHZDCISA-N 1 3 349.523 2.107 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCc2ccccc2C1)N(C)C ZINC001439222889 1091867871 /nfs/dbraw/zinc/86/78/71/1091867871.db2.gz BMKJUMVODDFDAI-FRQCXROJSA-N 1 3 331.504 2.226 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCC2([NH2+][C@H]3CCc4ccc(F)cc43)CC2)C1 ZINC001446246341 1092365452 /nfs/dbraw/zinc/36/54/52/1092365452.db2.gz AECOAQZSIQQUJP-KSSFIOAISA-N 1 3 345.462 2.393 10 0 EEAEHO CC(C)N(C)CC(=O)NC1(C)CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001439806268 1092765314 /nfs/dbraw/zinc/76/53/14/1092765314.db2.gz XMOUKKYHIGSZHY-QGZVFWFLSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC001440533593 1093796689 /nfs/dbraw/zinc/79/66/89/1093796689.db2.gz BOCKVAPFDUVYMY-HXUWFJFHSA-N 1 3 344.503 2.236 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC001440533593 1093796695 /nfs/dbraw/zinc/79/66/95/1093796695.db2.gz BOCKVAPFDUVYMY-HXUWFJFHSA-N 1 3 344.503 2.236 10 0 EEAEHO CC(C)C[NH2+]CC1(NC(=O)[C@H](C)N2CCCCCC2)CCOCC1 ZINC001440573711 1093842140 /nfs/dbraw/zinc/84/21/40/1093842140.db2.gz IFNHGECWCSFLEK-KRWDZBQOSA-N 1 3 339.524 2.162 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1CCC(C)(NCc2ccn(CC)n2)CC1 ZINC001440604389 1093869461 /nfs/dbraw/zinc/86/94/61/1093869461.db2.gz JCZYAYDUXSTWAN-UHFFFAOYSA-N 1 3 349.523 2.106 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1CCC(C)(NCc2ccn(CC)n2)CC1 ZINC001440604389 1093869463 /nfs/dbraw/zinc/86/94/63/1093869463.db2.gz JCZYAYDUXSTWAN-UHFFFAOYSA-N 1 3 349.523 2.106 10 0 EEAEHO COc1cccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C(C)C)C2)c1 ZINC001449016910 1094018402 /nfs/dbraw/zinc/01/84/02/1094018402.db2.gz NEJZSBOGQLKSSH-RDJZCZTQSA-N 1 3 333.476 2.114 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnoc3C)[C@H]2C1 ZINC001449026418 1094034041 /nfs/dbraw/zinc/03/40/41/1094034041.db2.gz BHARVMFWJDNMMS-RYQLBKOJSA-N 1 3 348.491 2.042 10 0 EEAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001441163914 1094512600 /nfs/dbraw/zinc/51/26/00/1094512600.db2.gz RYRLEKXDAOBTIV-UONOGXRCSA-N 1 3 343.462 2.343 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H](C)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001442226339 1096522992 /nfs/dbraw/zinc/52/29/92/1096522992.db2.gz NXIASNMRWLUBFI-WMZOPIPTSA-N 1 3 339.524 2.114 10 0 EEAEHO COc1ccc(C)cc1C[NH2+][C@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001442295363 1096610793 /nfs/dbraw/zinc/61/07/93/1096610793.db2.gz NCTPYGIWVYNUPU-DLBZAZTESA-N 1 3 347.503 2.330 10 0 EEAEHO CN(CCNC(=O)C1(C[NH+](C)C)CC1)Cc1ccc(C2CC2)cc1 ZINC001442501450 1096848348 /nfs/dbraw/zinc/84/83/48/1096848348.db2.gz HQYSHTIQXVFKIB-UHFFFAOYSA-N 1 3 329.488 2.454 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001442914808 1097323641 /nfs/dbraw/zinc/32/36/41/1097323641.db2.gz XFGJVUVWIRDIRP-KRWDZBQOSA-N 1 3 342.487 2.448 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001442914808 1097323647 /nfs/dbraw/zinc/32/36/47/1097323647.db2.gz XFGJVUVWIRDIRP-KRWDZBQOSA-N 1 3 342.487 2.448 10 0 EEAEHO Cc1nc(C(C)C)ccc1CN(C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001479812019 1099073566 /nfs/dbraw/zinc/07/35/66/1099073566.db2.gz FCKGITPLEUWCMW-SFHVURJKSA-N 1 3 346.519 2.403 10 0 EEAEHO Cc1nc(C(C)C)ccc1CN(C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001479812019 1099073579 /nfs/dbraw/zinc/07/35/79/1099073579.db2.gz FCKGITPLEUWCMW-SFHVURJKSA-N 1 3 346.519 2.403 10 0 EEAEHO Cc1cc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)CN(C)C(C)C)C2)on1 ZINC001444817873 1099745114 /nfs/dbraw/zinc/74/51/14/1099745114.db2.gz NKCVSZQKNFXZDZ-CVEARBPZSA-N 1 3 336.480 2.040 10 0 EEAEHO CC(C)c1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3(N(C)C)CCC3)C2)n1 ZINC001480207920 1099813568 /nfs/dbraw/zinc/81/35/68/1099813568.db2.gz KZHRYACYFWOZJH-CALCHBBNSA-N 1 3 344.503 2.426 10 0 EEAEHO Cc1cnc(CNCC[C@H]2CCCCN2C(=O)CC[NH+](C)C)s1 ZINC001496415204 1101009285 /nfs/dbraw/zinc/00/92/85/1101009285.db2.gz NVRIIZQMVZJRBA-OAHLLOKOSA-N 1 3 338.521 2.264 10 0 EEAEHO Cc1cc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CN(C)C(C)C)sn1 ZINC001496925558 1101728008 /nfs/dbraw/zinc/72/80/08/1101728008.db2.gz UPXZFDXXEAUNLS-ZBFHGGJFSA-N 1 3 338.521 2.166 10 0 EEAEHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1c(F)cccc1F)N(C)C ZINC001496153509 1102144854 /nfs/dbraw/zinc/14/48/54/1102144854.db2.gz HXTKAFNVTNHSSN-DYVFJYSZSA-N 1 3 341.446 2.284 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3cnccc3C)CCC2)CC[N@@H+]1C ZINC001447194275 1102177724 /nfs/dbraw/zinc/17/77/24/1102177724.db2.gz DGCHHDOUYNNROK-ZWKOTPCHSA-N 1 3 344.503 2.249 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3cnccc3C)CCC2)CC[N@H+]1C ZINC001447194275 1102177730 /nfs/dbraw/zinc/17/77/30/1102177730.db2.gz DGCHHDOUYNNROK-ZWKOTPCHSA-N 1 3 344.503 2.249 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccnc1C ZINC001497332616 1102340360 /nfs/dbraw/zinc/34/03/60/1102340360.db2.gz PRJLDPVGYRXXDJ-MAUKXSAKSA-N 1 3 332.492 2.249 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001497620038 1102760098 /nfs/dbraw/zinc/76/00/98/1102760098.db2.gz IQDQBAYIKXQLPK-PHWHVTFISA-N 1 3 344.503 2.272 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001497620038 1102760110 /nfs/dbraw/zinc/76/01/10/1102760110.db2.gz IQDQBAYIKXQLPK-PHWHVTFISA-N 1 3 344.503 2.272 10 0 EEAEHO C[C@H](C[NH2+]CCOC1CCCCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001497828189 1103160329 /nfs/dbraw/zinc/16/03/29/1103160329.db2.gz USMBILLXUIHSKZ-MRXNPFEDSA-N 1 3 339.524 2.304 10 0 EEAEHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)CCc1ccccc1F ZINC001448015753 1103807778 /nfs/dbraw/zinc/80/77/78/1103807778.db2.gz NQMMDUTXNMDDPA-ZMSDIMECSA-N 1 3 335.467 2.145 10 0 EEAEHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)CCc1ccccc1F ZINC001448015753 1103807791 /nfs/dbraw/zinc/80/77/91/1103807791.db2.gz NQMMDUTXNMDDPA-ZMSDIMECSA-N 1 3 335.467 2.145 10 0 EEAEHO CCCC[C@H](CNCc1ccns1)NC(=O)C12CC[NH+](CC1)C2 ZINC001448255635 1104255711 /nfs/dbraw/zinc/25/57/11/1104255711.db2.gz AVNNTJFVLNPTPA-CQSZACIVSA-N 1 3 336.505 2.004 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@H](CNCc2cc(C)no2)C1)[NH+](CC)CC ZINC001480664254 1106843218 /nfs/dbraw/zinc/84/32/18/1106843218.db2.gz XAJLIUSRFSPYOM-NVXWUHKLSA-N 1 3 336.480 2.042 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCCC1(F)F)N(C)C ZINC001498056504 1106854043 /nfs/dbraw/zinc/85/40/43/1106854043.db2.gz XBKQXTSIFQLXMW-ZNMIVQPWSA-N 1 3 333.467 2.492 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]CCCc1cccc(C)c1 ZINC001498172859 1107023744 /nfs/dbraw/zinc/02/37/44/1107023744.db2.gz XUJROSCPLGHYFE-HNNXBMFYSA-N 1 3 328.460 2.296 10 0 EEAEHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC001480812778 1107162169 /nfs/dbraw/zinc/16/21/69/1107162169.db2.gz BJXNAISZAZFNKG-CYBMUJFWSA-N 1 3 327.419 2.289 10 0 EEAEHO Cc1nc(C(C)C)ccc1CN1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493233058 1107737296 /nfs/dbraw/zinc/73/72/96/1107737296.db2.gz ILGISSUOSJMRFC-QGZVFWFLSA-N 1 3 346.519 2.403 10 0 EEAEHO Cc1ncsc1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001501091745 1113196028 /nfs/dbraw/zinc/19/60/28/1113196028.db2.gz QAYLVPNVWZSSJN-UKRRQHHQSA-N 1 3 338.521 2.118 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001501145699 1113214333 /nfs/dbraw/zinc/21/43/33/1113214333.db2.gz FUWJVYJJFOHALY-JWHDQYKWSA-N 1 3 336.307 2.331 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001501145699 1113214336 /nfs/dbraw/zinc/21/43/36/1113214336.db2.gz FUWJVYJJFOHALY-JWHDQYKWSA-N 1 3 336.307 2.331 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC001501152609 1113216849 /nfs/dbraw/zinc/21/68/49/1113216849.db2.gz AJOZNCYLAWGVDF-ZFWWWQNUSA-N 1 3 331.451 2.056 10 0 EEAEHO Cc1cc(CN[C@H](C)[C@H](C)NC(=O)CC2CC[NH+](C)CC2)sn1 ZINC001505707662 1114142840 /nfs/dbraw/zinc/14/28/40/1114142840.db2.gz WTTCKMRNAWHTRO-KGLIPLIRSA-N 1 3 338.521 2.166 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001505759922 1114173908 /nfs/dbraw/zinc/17/39/08/1114173908.db2.gz DDHARXSFCNCQJD-CHWSQXEVSA-N 1 3 327.419 2.288 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001506001433 1114333697 /nfs/dbraw/zinc/33/36/97/1114333697.db2.gz ALVRDKQXJMPXGN-HZPDHXFCSA-N 1 3 342.487 2.446 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001506001433 1114333703 /nfs/dbraw/zinc/33/37/03/1114333703.db2.gz ALVRDKQXJMPXGN-HZPDHXFCSA-N 1 3 342.487 2.446 10 0 EEAEHO Cc1cncc(CN[C@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001507105105 1115110912 /nfs/dbraw/zinc/11/09/12/1115110912.db2.gz GFUZSMQLLHDOIK-MRXNPFEDSA-N 1 3 332.492 2.201 10 0 EEAEHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001507146877 1115133300 /nfs/dbraw/zinc/13/33/00/1115133300.db2.gz DRPHBEYDAWFGEP-OCCSQVGLSA-N 1 3 326.872 2.012 10 0 EEAEHO C[NH+](C)CC1(C(=O)N2C[C@H](NCc3ccccc3F)C(C)(C)C2)CC1 ZINC001507442240 1115271329 /nfs/dbraw/zinc/27/13/29/1115271329.db2.gz GRROXONPFFOELU-KRWDZBQOSA-N 1 3 347.478 2.494 10 0 EEAEHO CC(C)OCCN(C)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001507828336 1115353700 /nfs/dbraw/zinc/35/37/00/1115353700.db2.gz OFMYBWSMNRWDGR-ROUUACIJSA-N 1 3 341.540 2.311 10 0 EEAEHO CC(C)OCCN(C)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001507828336 1115353702 /nfs/dbraw/zinc/35/37/02/1115353702.db2.gz OFMYBWSMNRWDGR-ROUUACIJSA-N 1 3 341.540 2.311 10 0 EEAEHO CN(CC(=O)N[C@@H](C[NH2+]C[C@H]1CCOC1)C(C)(C)C)CC(C)(C)C ZINC001508023732 1115390772 /nfs/dbraw/zinc/39/07/72/1115390772.db2.gz PSBRLTGVWDARLT-CVEARBPZSA-N 1 3 341.540 2.121 10 0 EEAEHO CC(C)OCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001568533454 1124596669 /nfs/dbraw/zinc/59/66/69/1124596669.db2.gz ROWDBMXLPNMEKB-IRXDYDNUSA-N 1 3 339.524 2.160 10 0 EEAEHO Cc1cc(CNCC[C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)on1 ZINC001568697329 1124711059 /nfs/dbraw/zinc/71/10/59/1124711059.db2.gz KADUPHAHEUPJDC-CQSZACIVSA-N 1 3 348.491 2.089 10 0 EEAEHO C[C@@H](NC/C=C/CNC(=O)C12CC[NH+](CC1)C2)c1cccc(F)c1 ZINC001568951219 1124984531 /nfs/dbraw/zinc/98/45/31/1124984531.db2.gz NLPJQGUUZLUXBO-XYBNCVKDSA-N 1 3 331.435 2.245 10 0 EEAEHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000066187216 215020717 /nfs/dbraw/zinc/02/07/17/215020717.db2.gz VMCZCWPPLTVSLI-WMZOPIPTSA-N 1 3 334.508 2.189 10 0 EEAEHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000066187216 215020720 /nfs/dbraw/zinc/02/07/20/215020720.db2.gz VMCZCWPPLTVSLI-WMZOPIPTSA-N 1 3 334.508 2.189 10 0 EEAEHO CCn1c(CNCC2CC[NH+](C[C@H](C)O)CC2)nc2ccccc21 ZINC000069349859 215383388 /nfs/dbraw/zinc/38/33/88/215383388.db2.gz IOTNPHZHABHTSC-HNNXBMFYSA-N 1 3 330.476 2.239 10 0 EEAEHO C[C@H]1C[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CN1C1CC1 ZINC000130204877 291072048 /nfs/dbraw/zinc/07/20/48/291072048.db2.gz JAGXIQWGMGNDON-DOTOQJQBSA-N 1 3 334.508 2.129 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456681972 244326053 /nfs/dbraw/zinc/32/60/53/244326053.db2.gz JAMHMIXGIRCIQY-UHFFFAOYSA-N 1 3 345.487 2.374 10 0 EEAEHO CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000270347084 256126028 /nfs/dbraw/zinc/12/60/28/256126028.db2.gz MXBHZNFFFREOOZ-ROUUACIJSA-N 1 3 330.476 2.215 10 0 EEAEHO CN1CC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1ccccc1 ZINC000248656441 160355016 /nfs/dbraw/zinc/35/50/16/160355016.db2.gz DBXJBPUFKXCTAW-RBUKOAKNSA-N 1 3 327.472 2.422 10 0 EEAEHO C[C@H](CN1CCCCC1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193570739 160183705 /nfs/dbraw/zinc/18/37/05/160183705.db2.gz BUEDIJJVJMPUEX-QGZVFWFLSA-N 1 3 336.524 2.378 10 0 EEAEHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCCN(C3CC3)CC2)C1 ZINC000194662440 160198439 /nfs/dbraw/zinc/19/84/39/160198439.db2.gz ZSGZNAQPSBDOEF-KRWDZBQOSA-N 1 3 336.524 2.378 10 0 EEAEHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCCN(C3CC3)CC2)C1 ZINC000194662440 160198441 /nfs/dbraw/zinc/19/84/41/160198441.db2.gz ZSGZNAQPSBDOEF-KRWDZBQOSA-N 1 3 336.524 2.378 10 0 EEAEHO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000248452404 160346885 /nfs/dbraw/zinc/34/68/85/160346885.db2.gz YQQOOHDHXPOWLW-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO CCOC(=O)[C@H](CC(C)C)[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000248452404 160346886 /nfs/dbraw/zinc/34/68/86/160346886.db2.gz YQQOOHDHXPOWLW-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)N[C@@H](C)C[NH+](CC)CC)cc2)CC1 ZINC000346146356 161361192 /nfs/dbraw/zinc/36/11/92/161361192.db2.gz IRUCPTSYVVIJLT-KRWDZBQOSA-N 1 3 346.519 2.289 10 0 EEAEHO CC(C)[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccnc1 ZINC000359376470 164123362 /nfs/dbraw/zinc/12/33/62/164123362.db2.gz VPDGCTAKPQTVGC-IBGZPJMESA-N 1 3 332.492 2.311 10 0 EEAEHO C[N@@H+]1CC[C@H](NCCNC(=O)c2c(F)cccc2F)[C@H]2CCC[C@@H]21 ZINC000375804249 167200530 /nfs/dbraw/zinc/20/05/30/167200530.db2.gz HKQRYSUTXRSTSX-KCXAZCMYSA-N 1 3 337.414 2.157 10 0 EEAEHO C[N@H+]1CC[C@H](NCCNC(=O)c2c(F)cccc2F)[C@H]2CCC[C@@H]21 ZINC000375804249 167200531 /nfs/dbraw/zinc/20/05/31/167200531.db2.gz HKQRYSUTXRSTSX-KCXAZCMYSA-N 1 3 337.414 2.157 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnn2ccccc12 ZINC000289527939 275124451 /nfs/dbraw/zinc/12/44/51/275124451.db2.gz VXCDLFHNFROJQK-GOSISDBHSA-N 1 3 329.492 2.182 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnn2ccccc12 ZINC000289527939 275124452 /nfs/dbraw/zinc/12/44/52/275124452.db2.gz VXCDLFHNFROJQK-GOSISDBHSA-N 1 3 329.492 2.182 10 0 EEAEHO C[C@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000291682981 275329684 /nfs/dbraw/zinc/32/96/84/275329684.db2.gz CPEZDYCACCPSHH-QFBILLFUSA-N 1 3 329.488 2.498 10 0 EEAEHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000352154511 298269035 /nfs/dbraw/zinc/26/90/35/298269035.db2.gz PBHZNVQECKHBAC-KLHKWILBSA-N 1 3 338.540 2.479 10 0 EEAEHO Cc1ccccc1CC(=O)N1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414700020 313066545 /nfs/dbraw/zinc/06/65/45/313066545.db2.gz UMAKRWRKBKPKBT-MSOLQXFVSA-N 1 3 329.488 2.070 10 0 EEAEHO O=C(NC[C@H](c1cccs1)N1CCCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416838882 313330647 /nfs/dbraw/zinc/33/06/47/313330647.db2.gz JJADVVLKUCSUBG-HZPDHXFCSA-N 1 3 348.516 2.421 10 0 EEAEHO N[C@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000418452314 313817782 /nfs/dbraw/zinc/81/77/82/313817782.db2.gz NTXNDFJAWNSSKX-GOSISDBHSA-N 1 3 330.476 2.204 10 0 EEAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418579823 313852595 /nfs/dbraw/zinc/85/25/95/313852595.db2.gz RXZOZGABFNKNEG-CRAIPNDOSA-N 1 3 332.492 2.278 10 0 EEAEHO Cc1cc(NC(=O)N(C)CCN(C)C2CC2)n(C2CC[NH+](C)CC2)n1 ZINC000548431237 318388146 /nfs/dbraw/zinc/38/81/46/318388146.db2.gz BIYKMBUUDWKBIK-UHFFFAOYSA-N 1 3 348.495 2.016 10 0 EEAEHO C[C@@H](CNC(=O)N1CCc2ccccc2[C@H]1CN)[N@@H+]1CCC[C@@H](C)C1 ZINC000565301399 319170272 /nfs/dbraw/zinc/17/02/72/319170272.db2.gz BLUXQCNBKLWCTA-JTDSTZFVSA-N 1 3 344.503 2.375 10 0 EEAEHO C[C@@H](CNC(=O)N1CCc2ccccc2[C@H]1CN)[N@H+]1CCC[C@@H](C)C1 ZINC000565301399 319170274 /nfs/dbraw/zinc/17/02/74/319170274.db2.gz BLUXQCNBKLWCTA-JTDSTZFVSA-N 1 3 344.503 2.375 10 0 EEAEHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)COC2CCC([NH3+])CC2)C1 ZINC000565771824 319212558 /nfs/dbraw/zinc/21/25/58/319212558.db2.gz HWHLJTWEKPCIRX-BARLLCKDSA-N 1 3 345.487 2.225 10 0 EEAEHO O=C1C[C@H](c2ccccc2)N(Cc2ccc3c(c2)C[NH2+]CC3)CCN1 ZINC000575129885 320089337 /nfs/dbraw/zinc/08/93/37/320089337.db2.gz CDMOFLMLXMIBHD-HXUWFJFHSA-N 1 3 335.451 2.396 10 0 EEAEHO C[C@@H]1CN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000575354393 320102955 /nfs/dbraw/zinc/10/29/55/320102955.db2.gz MATJXLKVVQHRIN-IMFGXOCKSA-N 1 3 344.503 2.420 10 0 EEAEHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC000578010749 320288652 /nfs/dbraw/zinc/28/86/52/320288652.db2.gz JTFVNSLYOFIDPP-GOSISDBHSA-N 1 3 332.492 2.094 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000581833323 324326372 /nfs/dbraw/zinc/32/63/72/324326372.db2.gz JIODEHNWJMSJIH-IEBWSBKVSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000581833323 324326373 /nfs/dbraw/zinc/32/63/73/324326373.db2.gz JIODEHNWJMSJIH-IEBWSBKVSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@H]1CCC[N@H+](CCNC(=O)N[C@@H](CN(C)C)c2ccccc2)C1 ZINC000045185687 462566577 /nfs/dbraw/zinc/56/65/77/462566577.db2.gz UXPCSWYMGJCCAH-WMZOPIPTSA-N 1 3 332.492 2.320 10 0 EEAEHO C[C@H]1CCC[N@@H+](CCNC(=O)N[C@@H](CN(C)C)c2ccccc2)C1 ZINC000045185687 462566581 /nfs/dbraw/zinc/56/65/81/462566581.db2.gz UXPCSWYMGJCCAH-WMZOPIPTSA-N 1 3 332.492 2.320 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553162994 468352251 /nfs/dbraw/zinc/35/22/51/468352251.db2.gz BRLGXMGQEBXWPI-HKUYNNGSSA-N 1 3 329.488 2.309 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553162994 468352258 /nfs/dbraw/zinc/35/22/58/468352258.db2.gz BRLGXMGQEBXWPI-HKUYNNGSSA-N 1 3 329.488 2.309 10 0 EEAEHO COc1ccc(Cl)cc1CN(C)CC1CC[NH+](CCO)CC1 ZINC000071871549 463449650 /nfs/dbraw/zinc/44/96/50/463449650.db2.gz QBSOCCZJTBPDPT-UHFFFAOYSA-N 1 3 326.868 2.485 10 0 EEAEHO C[N@H+](CCn1cccn1)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105862944 463480563 /nfs/dbraw/zinc/48/05/63/463480563.db2.gz XRUJPUKDROWRIX-FQEVSTJZSA-N 1 3 342.487 2.261 10 0 EEAEHO C[N@@H+](CCn1cccn1)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105862944 463480567 /nfs/dbraw/zinc/48/05/67/463480567.db2.gz XRUJPUKDROWRIX-FQEVSTJZSA-N 1 3 342.487 2.261 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000072844811 463554273 /nfs/dbraw/zinc/55/42/73/463554273.db2.gz IIIYOGMUGKWQEB-UHFFFAOYSA-N 1 3 342.487 2.349 10 0 EEAEHO CC[NH+](CC)[C@H](C)CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000073639396 463637998 /nfs/dbraw/zinc/63/79/98/463637998.db2.gz MZYUXMTVWAMUSL-GOSISDBHSA-N 1 3 346.519 2.045 10 0 EEAEHO O=C(NCc1ccccc1CN1CCCCC1)NCC1CC[NH2+]CC1 ZINC000579571064 468377810 /nfs/dbraw/zinc/37/78/10/468377810.db2.gz VRNFPJVKURDDNP-UHFFFAOYSA-N 1 3 344.503 2.471 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000171903898 463946562 /nfs/dbraw/zinc/94/65/62/463946562.db2.gz UNCMUBXDTAOUGL-IXDOHACOSA-N 1 3 336.524 2.233 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000171903898 463946572 /nfs/dbraw/zinc/94/65/72/463946572.db2.gz UNCMUBXDTAOUGL-IXDOHACOSA-N 1 3 336.524 2.233 10 0 EEAEHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc(Cl)cs1 ZINC000279271401 464086041 /nfs/dbraw/zinc/08/60/41/464086041.db2.gz RSRKWHXNUUYORK-LBPRGKRZSA-N 1 3 344.912 2.285 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000245615059 464499058 /nfs/dbraw/zinc/49/90/58/464499058.db2.gz CTKQBRVUXNQROU-HYEGPXJVSA-N 1 3 342.487 2.356 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000245615059 464499061 /nfs/dbraw/zinc/49/90/61/464499061.db2.gz CTKQBRVUXNQROU-HYEGPXJVSA-N 1 3 342.487 2.356 10 0 EEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245661794 464502700 /nfs/dbraw/zinc/50/27/00/464502700.db2.gz PYJGGCITLATSMC-YSHGAJCASA-N 1 3 344.503 2.460 10 0 EEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245661794 464502703 /nfs/dbraw/zinc/50/27/03/464502703.db2.gz PYJGGCITLATSMC-YSHGAJCASA-N 1 3 344.503 2.460 10 0 EEAEHO CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000340088210 465755722 /nfs/dbraw/zinc/75/57/22/465755722.db2.gz KIWKAJHGJMXEAE-QZTJIDSGSA-N 1 3 332.492 2.463 10 0 EEAEHO CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000340088210 465755726 /nfs/dbraw/zinc/75/57/26/465755726.db2.gz KIWKAJHGJMXEAE-QZTJIDSGSA-N 1 3 332.492 2.463 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H]1c1ccccc1 ZINC000340143361 465809099 /nfs/dbraw/zinc/80/90/99/465809099.db2.gz CRMFXWCLKZBHSF-AKHDSKFASA-N 1 3 342.487 2.358 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]1c1ccccc1 ZINC000340143361 465809106 /nfs/dbraw/zinc/80/91/06/465809106.db2.gz CRMFXWCLKZBHSF-AKHDSKFASA-N 1 3 342.487 2.358 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2CCC(C[NH+](C)C)CC2)[C@H]1c1ccccc1 ZINC000372267577 466260238 /nfs/dbraw/zinc/26/02/38/466260238.db2.gz SBFGVAXPGSFJRS-RTBURBONSA-N 1 3 344.503 2.415 10 0 EEAEHO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000668477181 472139813 /nfs/dbraw/zinc/13/98/13/472139813.db2.gz WXLNXUGHRMRTGW-KFKAGJAMSA-N 1 3 333.476 2.206 10 0 EEAEHO C[C@H]1[C@H](NC(=O)N2CCN3CCC2CC3)CC[N@@H+]1Cc1ccccc1 ZINC000377026200 467001878 /nfs/dbraw/zinc/00/18/78/467001878.db2.gz ACMMRSRSTWCYMG-QFBILLFUSA-N 1 3 342.487 2.139 10 0 EEAEHO C[C@H]1[C@H](NC(=O)N2CCN3CCC2CC3)CC[N@H+]1Cc1ccccc1 ZINC000377026200 467001882 /nfs/dbraw/zinc/00/18/82/467001882.db2.gz ACMMRSRSTWCYMG-QFBILLFUSA-N 1 3 342.487 2.139 10 0 EEAEHO CSC1(CNC(=O)NCC2([NH3+])CCCCCC2)CCN(C)CC1 ZINC000418203199 467074597 /nfs/dbraw/zinc/07/45/97/467074597.db2.gz VGTNPHXRUHCTOZ-UHFFFAOYSA-N 1 3 342.553 2.165 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC34CCCC4)CC2)CC1 ZINC000428559047 467246470 /nfs/dbraw/zinc/24/64/70/467246470.db2.gz NABGFBSMIUQXFF-KRWDZBQOSA-N 1 3 334.508 2.177 10 0 EEAEHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000457915013 467728176 /nfs/dbraw/zinc/72/81/76/467728176.db2.gz QNMBRZBUIGOMLD-OALUTQOASA-N 1 3 346.519 2.283 10 0 EEAEHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000457915013 467728178 /nfs/dbraw/zinc/72/81/78/467728178.db2.gz QNMBRZBUIGOMLD-OALUTQOASA-N 1 3 346.519 2.283 10 0 EEAEHO O=C(Nc1ccc2c(c1)OCCNC2)N1CCC([NH+]2CC=CC2)CC1 ZINC000528723778 467739709 /nfs/dbraw/zinc/73/97/09/467739709.db2.gz ZOFXOZATANALEE-UHFFFAOYSA-N 1 3 342.443 2.037 10 0 EEAEHO c1cc2c(cc1CN1CCC(CO[C@@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000530247685 467968405 /nfs/dbraw/zinc/96/84/05/467968405.db2.gz BTXZQOYTNZWDAZ-QGZVFWFLSA-N 1 3 332.444 2.048 10 0 EEAEHO C[C@@H](CNC(=O)c1conc1C(C)(C)N)[N@H+](C)Cc1ccccc1 ZINC000519786877 468211921 /nfs/dbraw/zinc/21/19/21/468211921.db2.gz YMWGSYNCIQIKIX-ZDUSSCGKSA-N 1 3 330.432 2.119 10 0 EEAEHO C[C@@H](CNC(=O)c1conc1C(C)(C)N)[N@@H+](C)Cc1ccccc1 ZINC000519786877 468211925 /nfs/dbraw/zinc/21/19/25/468211925.db2.gz YMWGSYNCIQIKIX-ZDUSSCGKSA-N 1 3 330.432 2.119 10 0 EEAEHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578742284 468248867 /nfs/dbraw/zinc/24/88/67/468248867.db2.gz PGXOVMLFOWEHLM-AZUAARDMSA-N 1 3 342.487 2.046 10 0 EEAEHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000582962537 468623802 /nfs/dbraw/zinc/62/38/02/468623802.db2.gz HIIIXBIBGSPFTG-QZTJIDSGSA-N 1 3 344.503 2.375 10 0 EEAEHO Cc1cnc(CCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)c1 ZINC000563061413 469156742 /nfs/dbraw/zinc/15/67/42/469156742.db2.gz IBHRZPMEERKRPB-QUCCMNQESA-N 1 3 330.520 2.199 10 0 EEAEHO CCOC(=O)C[C@@H](O)CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000599310623 469204184 /nfs/dbraw/zinc/20/41/84/469204184.db2.gz XQCMNRWEGVICMQ-FUHWJXTLSA-N 1 3 340.508 2.277 10 0 EEAEHO CCOC(=O)C[C@@H](O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000599310623 469204187 /nfs/dbraw/zinc/20/41/87/469204187.db2.gz XQCMNRWEGVICMQ-FUHWJXTLSA-N 1 3 340.508 2.277 10 0 EEAEHO CN1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000623529006 469685970 /nfs/dbraw/zinc/68/59/70/469685970.db2.gz QCRYNLQPZJXXGK-VQTJNVASSA-N 1 3 341.499 2.355 10 0 EEAEHO CN1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000623529006 469685972 /nfs/dbraw/zinc/68/59/72/469685972.db2.gz QCRYNLQPZJXXGK-VQTJNVASSA-N 1 3 341.499 2.355 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(C(F)(F)F)[nH]1 ZINC000617503287 469700413 /nfs/dbraw/zinc/70/04/13/469700413.db2.gz CWJIIBYDUCPTBS-NSHDSACASA-N 1 3 334.386 2.035 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(C(F)(F)F)[nH]1 ZINC000617503287 469700417 /nfs/dbraw/zinc/70/04/17/469700417.db2.gz CWJIIBYDUCPTBS-NSHDSACASA-N 1 3 334.386 2.035 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2ccccc2n1 ZINC000617503272 469701468 /nfs/dbraw/zinc/70/14/68/469701468.db2.gz CCADIXUOYSIHIA-HNNXBMFYSA-N 1 3 328.460 2.237 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2ccccc2n1 ZINC000617503272 469701472 /nfs/dbraw/zinc/70/14/72/469701472.db2.gz CCADIXUOYSIHIA-HNNXBMFYSA-N 1 3 328.460 2.237 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cn(C)c2ccc(F)cc12 ZINC000617507469 469705283 /nfs/dbraw/zinc/70/52/83/469705283.db2.gz XXWBTESETQRFMM-AWEZNQCLSA-N 1 3 348.466 2.319 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cn(C)c2ccc(F)cc12 ZINC000617507469 469705290 /nfs/dbraw/zinc/70/52/90/469705290.db2.gz XXWBTESETQRFMM-AWEZNQCLSA-N 1 3 348.466 2.319 10 0 EEAEHO C[C@H]1CC[C@@H](NC(=O)NC2CCN(CCc3ccccc3)CC2)C[NH2+]1 ZINC000626930925 469759378 /nfs/dbraw/zinc/75/93/78/469759378.db2.gz LNWMLDQJQALZTI-QFBILLFUSA-N 1 3 344.503 2.133 10 0 EEAEHO O=C(NCCCN1CCc2ccccc2C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000626934624 469761109 /nfs/dbraw/zinc/76/11/09/469761109.db2.gz KFHDNIYOBSRNJW-SFHVURJKSA-N 1 3 342.487 2.019 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000626984539 469778352 /nfs/dbraw/zinc/77/83/52/469778352.db2.gz HWERLJGCVUMIBS-NHIYQJMISA-N 1 3 336.505 2.181 10 0 EEAEHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627015513 469790846 /nfs/dbraw/zinc/79/08/46/469790846.db2.gz SLFOFJOAAVJVQO-JQHSSLGASA-N 1 3 332.492 2.193 10 0 EEAEHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627131435 469821030 /nfs/dbraw/zinc/82/10/30/469821030.db2.gz DJZGJXJDRSECCY-HNNXBMFYSA-N 1 3 336.505 2.106 10 0 EEAEHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000627133028 469821159 /nfs/dbraw/zinc/82/11/59/469821159.db2.gz JTAWOFBGTZDOJO-GOSISDBHSA-N 1 3 344.503 2.353 10 0 EEAEHO OCCOC1(CNC2CC[NH+](CC3CC3)CC2)CCC(F)(F)CC1 ZINC000624102428 469841320 /nfs/dbraw/zinc/84/13/20/469841320.db2.gz WENSVDIHGQLHRL-UHFFFAOYSA-N 1 3 346.462 2.407 10 0 EEAEHO CN(CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)C1CC1 ZINC000624598152 469986167 /nfs/dbraw/zinc/98/61/67/469986167.db2.gz KJFYIPFAJHWBSK-VQTJNVASSA-N 1 3 341.499 2.355 10 0 EEAEHO CN(CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)C1CC1 ZINC000624598152 469986171 /nfs/dbraw/zinc/98/61/71/469986171.db2.gz KJFYIPFAJHWBSK-VQTJNVASSA-N 1 3 341.499 2.355 10 0 EEAEHO C[C@](O)(C[C@H](O)CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634712309 470284474 /nfs/dbraw/zinc/28/44/74/470284474.db2.gz CIBUBEWLCCREFX-IHPCNDPISA-N 1 3 332.488 2.010 10 0 EEAEHO C[C@](O)(C[C@H](O)CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000634712309 470284476 /nfs/dbraw/zinc/28/44/76/470284476.db2.gz CIBUBEWLCCREFX-IHPCNDPISA-N 1 3 332.488 2.010 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)CC[N@@H+]1C ZINC000632947451 470295615 /nfs/dbraw/zinc/29/56/15/470295615.db2.gz XPVKSSPSZGKVFS-OKZBNKHCSA-N 1 3 333.476 2.144 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)CC[N@H+]1C ZINC000632947451 470295619 /nfs/dbraw/zinc/29/56/19/470295619.db2.gz XPVKSSPSZGKVFS-OKZBNKHCSA-N 1 3 333.476 2.144 10 0 EEAEHO NCc1nnc(-c2ccc(NC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])cc2)[nH]1 ZINC000647001693 470801492 /nfs/dbraw/zinc/80/14/92/470801492.db2.gz PAYIPTRUZRUGOP-CABCVRRESA-N 1 3 342.447 2.167 10 0 EEAEHO C[C@@H]([NH2+]CCCc1ncn(C)n1)c1cccc(OCCN(C)C)c1 ZINC000647325423 470882451 /nfs/dbraw/zinc/88/24/51/470882451.db2.gz FVWOYYLETMQYKQ-OAHLLOKOSA-N 1 3 331.464 2.039 10 0 EEAEHO COC[C@]1(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CCCCN1 ZINC000638131292 470979392 /nfs/dbraw/zinc/97/93/92/470979392.db2.gz LFFGJTUPJMOXJI-PXNSSMCTSA-N 1 3 347.503 2.172 10 0 EEAEHO COC[C@]1(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CCCCN1 ZINC000638131292 470979395 /nfs/dbraw/zinc/97/93/95/470979395.db2.gz LFFGJTUPJMOXJI-PXNSSMCTSA-N 1 3 347.503 2.172 10 0 EEAEHO CN1CC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H]1c1ccccc1 ZINC000654509526 471047602 /nfs/dbraw/zinc/04/76/02/471047602.db2.gz BNUVWDZHZJQJER-SPUZQDLCSA-N 1 3 330.476 2.071 10 0 EEAEHO CN1CCN(Cc2ccccc2)[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000657801385 471235635 /nfs/dbraw/zinc/23/56/35/471235635.db2.gz QJBPIVQMDYFMGB-QHAWAJNXSA-N 1 3 342.531 2.019 10 0 EEAEHO CN1CCN(Cc2ccccc2)[C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000657801385 471235638 /nfs/dbraw/zinc/23/56/38/471235638.db2.gz QJBPIVQMDYFMGB-QHAWAJNXSA-N 1 3 342.531 2.019 10 0 EEAEHO C[C@@H]1C[C@H](NC[C@H]2CN(C)CCN2Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000657801674 471235683 /nfs/dbraw/zinc/23/56/83/471235683.db2.gz VGSQPJBSGQAESN-LMNJBCLMSA-N 1 3 342.531 2.017 10 0 EEAEHO C[C@@H]1C[C@H](NC[C@H]2CN(C)CCN2Cc2ccccc2)C[N@H+]1C1CC1 ZINC000657801674 471235685 /nfs/dbraw/zinc/23/56/85/471235685.db2.gz VGSQPJBSGQAESN-LMNJBCLMSA-N 1 3 342.531 2.017 10 0 EEAEHO Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658135489 471269659 /nfs/dbraw/zinc/26/96/59/471269659.db2.gz DYSPQUARSNHVNN-MJGOQNOKSA-N 1 3 340.471 2.154 10 0 EEAEHO Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658135489 471269661 /nfs/dbraw/zinc/26/96/61/471269661.db2.gz DYSPQUARSNHVNN-MJGOQNOKSA-N 1 3 340.471 2.154 10 0 EEAEHO C[NH+](C)C1CCC(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659045800 471486534 /nfs/dbraw/zinc/48/65/34/471486534.db2.gz YEXPMVWZGSFWBB-DAWZGUTISA-N 1 3 346.475 2.342 10 0 EEAEHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CN)C(F)(F)F)C1 ZINC000655917463 471538451 /nfs/dbraw/zinc/53/84/51/471538451.db2.gz RTLZXJPEWVFGIA-RYUDHWBXSA-N 1 3 338.418 2.076 10 0 EEAEHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CN)C(F)(F)F)C1 ZINC000655917463 471538456 /nfs/dbraw/zinc/53/84/56/471538456.db2.gz RTLZXJPEWVFGIA-RYUDHWBXSA-N 1 3 338.418 2.076 10 0 EEAEHO Cc1cccc(CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000663883716 471561586 /nfs/dbraw/zinc/56/15/86/471561586.db2.gz HLIYDUWQFVDQRM-KRWDZBQOSA-N 1 3 334.508 2.109 10 0 EEAEHO Cc1cccc(CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000663883716 471561591 /nfs/dbraw/zinc/56/15/91/471561591.db2.gz HLIYDUWQFVDQRM-KRWDZBQOSA-N 1 3 334.508 2.109 10 0 EEAEHO [NH3+]C[C@@H](C(=O)Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(F)cc1 ZINC000659365043 471593670 /nfs/dbraw/zinc/59/36/70/471593670.db2.gz DTQFXJALUXTXAS-QZTJIDSGSA-N 1 3 343.402 2.168 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000664818219 471870084 /nfs/dbraw/zinc/87/00/84/471870084.db2.gz DTYVCSUGLXAMLG-GJZGRUSLSA-N 1 3 348.482 2.383 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000664818219 471870086 /nfs/dbraw/zinc/87/00/86/471870086.db2.gz DTYVCSUGLXAMLG-GJZGRUSLSA-N 1 3 348.482 2.383 10 0 EEAEHO CS(=O)(=O)CC1(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000665234858 471975702 /nfs/dbraw/zinc/97/57/02/471975702.db2.gz KZZGTZCMWGHLSR-ARFHVFGLSA-N 1 3 328.522 2.102 10 0 EEAEHO COc1ccc(OC)c([C@@H]2CCCN2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662249311 472041229 /nfs/dbraw/zinc/04/12/29/472041229.db2.gz SUYGPUKBMRAVCC-WBVHZDCISA-N 1 3 332.444 2.362 10 0 EEAEHO C[NH+](C)CCCOC1CCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662490902 472127040 /nfs/dbraw/zinc/12/70/40/472127040.db2.gz MTDVCPYBPHQKJH-LJQANCHMSA-N 1 3 345.487 2.180 10 0 EEAEHO C[C@H](N)C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662758397 472238718 /nfs/dbraw/zinc/23/87/18/472238718.db2.gz OGMQGYRXMKBVER-MAUKXSAKSA-N 1 3 329.488 2.483 10 0 EEAEHO CCN1CC[C@@H]([N@H+](C)Cc2cccc(NS(C)(=O)=O)c2)[C@@H](C)C1 ZINC000678278024 486608233 /nfs/dbraw/zinc/60/82/33/486608233.db2.gz SFLQCTWQAMGQKD-WMLDXEAASA-N 1 3 339.505 2.220 10 0 EEAEHO CCN1CC[C@@H]([N@@H+](C)Cc2cccc(NS(C)(=O)=O)c2)[C@@H](C)C1 ZINC000678278024 486608234 /nfs/dbraw/zinc/60/82/34/486608234.db2.gz SFLQCTWQAMGQKD-WMLDXEAASA-N 1 3 339.505 2.220 10 0 EEAEHO CCC(CC)[C@@H](CNC(=O)C[C@H]1CSCCN1)[NH+]1CCCC1 ZINC000236663826 535102440 /nfs/dbraw/zinc/10/24/40/535102440.db2.gz XREWBOFZTSTLBU-JKSUJKDBSA-N 1 3 327.538 2.098 10 0 EEAEHO CCN1CCC[C@@H]1CNC(=S)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000730731628 577052680 /nfs/dbraw/zinc/05/26/80/577052680.db2.gz IDJUTJWHDBRJOU-HRCADAONSA-N 1 3 326.554 2.198 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2C1 ZINC001485656395 1191874697 /nfs/dbraw/zinc/87/46/97/1191874697.db2.gz CMWQEPMRRCKEJL-QLFBSQMISA-N 1 3 349.441 2.497 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]2C1 ZINC001485656395 1191874699 /nfs/dbraw/zinc/87/46/99/1191874699.db2.gz CMWQEPMRRCKEJL-QLFBSQMISA-N 1 3 349.441 2.497 10 0 EEAEHO C[C@@H](CCC[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@H]1CCCN1C ZINC001485732437 1191922400 /nfs/dbraw/zinc/92/24/00/1191922400.db2.gz HRMHLGXMKMCMLR-SUMWQHHRSA-N 1 3 339.430 2.434 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001485768037 1191942095 /nfs/dbraw/zinc/94/20/95/1191942095.db2.gz XRVSTWNAZSPAAS-IRXDYDNUSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001485768037 1191942096 /nfs/dbraw/zinc/94/20/96/1191942096.db2.gz XRVSTWNAZSPAAS-IRXDYDNUSA-N 1 3 339.524 2.065 10 0 EEAEHO CN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@@H](CNCc1ccccn1)C1CC1 ZINC001485813837 1191977873 /nfs/dbraw/zinc/97/78/73/1191977873.db2.gz OHEFPSBZAUNJKD-MOPGFXCFSA-N 1 3 344.503 2.283 10 0 EEAEHO CN(C(=O)CC[C@H]1CCC[N@H+]1C)[C@@H](CNCc1ccccn1)C1CC1 ZINC001485813837 1191977875 /nfs/dbraw/zinc/97/78/75/1191977875.db2.gz OHEFPSBZAUNJKD-MOPGFXCFSA-N 1 3 344.503 2.283 10 0 EEAEHO C[C@@H](c1cccc(F)c1)N(C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480865870 1176139106 /nfs/dbraw/zinc/13/91/06/1176139106.db2.gz QXOIZWYBYXDIRZ-KSSFIOAISA-N 1 3 333.451 2.277 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CCCOC(C)C)C1 ZINC001266328186 1176308223 /nfs/dbraw/zinc/30/82/23/1176308223.db2.gz VZIIZRSXEIKOBB-MSOLQXFVSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CCCOC(C)C)C1 ZINC001266328186 1176308231 /nfs/dbraw/zinc/30/82/31/1176308231.db2.gz VZIIZRSXEIKOBB-MSOLQXFVSA-N 1 3 339.524 2.112 10 0 EEAEHO C[NH+](C)CCCCC(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001266766948 1177382202 /nfs/dbraw/zinc/38/22/02/1177382202.db2.gz JPRKXAYZHWIVKY-CQSZACIVSA-N 1 3 337.430 2.499 10 0 EEAEHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1C[NH2+]CCC(F)(F)F ZINC001268192088 1181985397 /nfs/dbraw/zinc/98/53/97/1181985397.db2.gz LQTAYNNQLKNQCS-AAEUAGOBSA-N 1 3 332.370 2.121 10 0 EEAEHO CCOCCC[N@H+](C)CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268251780 1182081248 /nfs/dbraw/zinc/08/12/48/1182081248.db2.gz PFZOIJWTTDHRPQ-SFHVURJKSA-N 1 3 345.503 2.016 10 0 EEAEHO CCOCCC[N@@H+](C)CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268251780 1182081253 /nfs/dbraw/zinc/08/12/53/1182081253.db2.gz PFZOIJWTTDHRPQ-SFHVURJKSA-N 1 3 345.503 2.016 10 0 EEAEHO C[C@H](CC[NH2+]C[C@H]1CCCCO1)NC(=O)c1cccc(CN(C)C)c1 ZINC001268427373 1182596104 /nfs/dbraw/zinc/59/61/04/1182596104.db2.gz WNILCEOZFKNOSS-VQIMIIECSA-N 1 3 347.503 2.415 10 0 EEAEHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cc(F)ccc1C ZINC001481850561 1182800532 /nfs/dbraw/zinc/80/05/32/1182800532.db2.gz NMOTWMMDNCGPAJ-RDTXWAMCSA-N 1 3 335.467 2.460 10 0 EEAEHO Cc1nsc(C)c1CNC[C@@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001481939977 1182997850 /nfs/dbraw/zinc/99/78/50/1182997850.db2.gz DQZZTEKRHOELNX-QGZVFWFLSA-N 1 3 338.521 2.086 10 0 EEAEHO CN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCOC1CCCCCC1 ZINC001268523509 1183177183 /nfs/dbraw/zinc/17/71/83/1183177183.db2.gz RAQDYRVJLHXUHP-MJRGOJFPSA-N 1 3 337.508 2.082 10 0 EEAEHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNCc1cccnc1 ZINC001268596228 1183443684 /nfs/dbraw/zinc/44/36/84/1183443684.db2.gz MGVMAAONEHPZQQ-SHCNBLLESA-N 1 3 330.476 2.107 10 0 EEAEHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNCc1cccnc1 ZINC001268596228 1183443687 /nfs/dbraw/zinc/44/36/87/1183443687.db2.gz MGVMAAONEHPZQQ-SHCNBLLESA-N 1 3 330.476 2.107 10 0 EEAEHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cc(C)ns2)CCCC1)N(C)C ZINC001482229500 1184355317 /nfs/dbraw/zinc/35/53/17/1184355317.db2.gz BPKFPFDNCWBRCA-HNNXBMFYSA-N 1 3 338.521 2.310 10 0 EEAEHO Cc1ncc(C[NH2+]CCC2CCN(C(=O)Cc3c[nH]cn3)CC2)s1 ZINC001269913123 1184712213 /nfs/dbraw/zinc/71/22/13/1184712213.db2.gz GUZGKHFOIGTNDJ-UHFFFAOYSA-N 1 3 347.488 2.136 10 0 EEAEHO C[C@H](C[NH2+]CCC1CCOCC1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001482330638 1185414167 /nfs/dbraw/zinc/41/41/67/1185414167.db2.gz KXZGAOFXFFAPKH-MRXNPFEDSA-N 1 3 341.540 2.218 10 0 EEAEHO COc1cc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C)ccc1C ZINC001482367955 1185528377 /nfs/dbraw/zinc/52/83/77/1185528377.db2.gz CLLBCEFRTUPFAP-INIZCTEOSA-N 1 3 335.492 2.280 10 0 EEAEHO Cc1ncc(C[NH2+]CC[C@H]2CCCCN2C(=O)CN(C)C(C)C)o1 ZINC001482460602 1185924821 /nfs/dbraw/zinc/92/48/21/1185924821.db2.gz KGXHLIZDCZOMLC-MRXNPFEDSA-N 1 3 336.480 2.184 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1CCOCC1 ZINC001482832075 1187752437 /nfs/dbraw/zinc/75/24/37/1187752437.db2.gz UCERKFIJTDSICB-FUHWJXTLSA-N 1 3 339.524 2.160 10 0 EEAEHO C[C@@H](CCNCc1cc(F)ccc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001482864736 1187784878 /nfs/dbraw/zinc/78/48/78/1187784878.db2.gz CMIVFULYJFYEFQ-ZDUSSCGKSA-N 1 3 339.430 2.291 10 0 EEAEHO COc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001483060497 1188354877 /nfs/dbraw/zinc/35/48/77/1188354877.db2.gz LLQBXIZHHHKPKU-UIZHIOIMSA-N 1 3 345.487 2.360 10 0 EEAEHO C[N@@H+]1CC[C@@H](C(=O)NC/C=C/CNCc2ccc(F)c(Cl)c2)C1 ZINC001483092923 1188461034 /nfs/dbraw/zinc/46/10/34/1188461034.db2.gz LAWFOCRATUUSAS-BAABZTOOSA-N 1 3 339.842 2.193 10 0 EEAEHO C[N@H+]1CC[C@@H](C(=O)NC/C=C/CNCc2ccc(F)c(Cl)c2)C1 ZINC001483092923 1188461036 /nfs/dbraw/zinc/46/10/36/1188461036.db2.gz LAWFOCRATUUSAS-BAABZTOOSA-N 1 3 339.842 2.193 10 0 EEAEHO C[C@@H](C[NH2+]CCCC1CCOCC1)NC(=O)C(C)(C)N1CCCC1 ZINC001483254858 1190282630 /nfs/dbraw/zinc/28/26/30/1190282630.db2.gz JVHMZTJUDWVCOD-INIZCTEOSA-N 1 3 339.524 2.162 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001483296691 1190319308 /nfs/dbraw/zinc/31/93/08/1190319308.db2.gz OTUVHTRMXFIFEO-DOTOQJQBSA-N 1 3 349.523 2.107 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001483492897 1190510253 /nfs/dbraw/zinc/51/02/53/1190510253.db2.gz MJHNHOTYLYBQPX-CQSZACIVSA-N 1 3 339.430 2.245 10 0 EEAEHO CC(C)N(C)CC(=O)NC1(C[NH2+]C[C@H]2CCCCO2)CCCCC1 ZINC001409789534 1190620987 /nfs/dbraw/zinc/62/09/87/1190620987.db2.gz PWDAKFHTVYWBOW-QGZVFWFLSA-N 1 3 339.524 2.304 10 0 EEAEHO Cc1ncc(CNCC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)o1 ZINC001272547681 1190875115 /nfs/dbraw/zinc/87/51/15/1190875115.db2.gz YFQUTGWXITZSAU-XIRDDKMYSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1ncc(CNCC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)o1 ZINC001272547681 1190875116 /nfs/dbraw/zinc/87/51/16/1190875116.db2.gz YFQUTGWXITZSAU-XIRDDKMYSA-N 1 3 348.491 2.042 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001409904988 1190992774 /nfs/dbraw/zinc/99/27/74/1190992774.db2.gz CGWAMDQVPLBMAL-KBPBESRZSA-N 1 3 331.451 2.200 10 0 EEAEHO C[NH+](C)CCC(=O)NCC1(NCc2ccccc2C(F)(F)F)CC1 ZINC001483763418 1190995452 /nfs/dbraw/zinc/99/54/52/1190995452.db2.gz DUPHURDNXBJRDX-UHFFFAOYSA-N 1 3 343.393 2.396 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001483811005 1191055799 /nfs/dbraw/zinc/05/57/99/1191055799.db2.gz BENYOELORHEEMI-FGTMMUONSA-N 1 3 339.524 2.065 10 0 EEAEHO CCOCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001483811005 1191055801 /nfs/dbraw/zinc/05/58/01/1191055801.db2.gz BENYOELORHEEMI-FGTMMUONSA-N 1 3 339.524 2.065 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cnc(C)s2)C[C@H]1C ZINC001483915745 1191115054 /nfs/dbraw/zinc/11/50/54/1191115054.db2.gz HYHHMTCCBMCZHP-HIFRSBDPSA-N 1 3 338.521 2.262 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3cncc(C)c3)CCC2)CC[N@@H+]1C ZINC001484634988 1191446548 /nfs/dbraw/zinc/44/65/48/1191446548.db2.gz YVIBMVPMYQBCJB-ZWKOTPCHSA-N 1 3 344.503 2.249 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3cncc(C)c3)CCC2)CC[N@H+]1C ZINC001484634988 1191446549 /nfs/dbraw/zinc/44/65/49/1191446549.db2.gz YVIBMVPMYQBCJB-ZWKOTPCHSA-N 1 3 344.503 2.249 10 0 EEAEHO CCC[NH2+]CC1(NC(=O)c2cccc(CN(C)C)c2)CCOCC1 ZINC001484871791 1191556637 /nfs/dbraw/zinc/55/66/37/1191556637.db2.gz HBTYDPVSDMVVCS-UHFFFAOYSA-N 1 3 333.476 2.027 10 0 EEAEHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCCc1ccsc1 ZINC001484898215 1191568092 /nfs/dbraw/zinc/56/80/92/1191568092.db2.gz FBEBYIMRIAMRAF-XJKSGUPXSA-N 1 3 332.473 2.083 10 0 EEAEHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCCc1ccccc1 ZINC001484899073 1191568285 /nfs/dbraw/zinc/56/82/85/1191568285.db2.gz KLUNVXRZQUEEOF-MAUKXSAKSA-N 1 3 326.444 2.022 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@H+](C)CCC[C@@H]1CCOC1 ZINC001485080929 1191650160 /nfs/dbraw/zinc/65/01/60/1191650160.db2.gz XQVKLVLUQWALPR-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CCC[C@@H]1CCOC1 ZINC001485080929 1191650161 /nfs/dbraw/zinc/65/01/61/1191650161.db2.gz XQVKLVLUQWALPR-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO CCCC[NH2+]CC1CC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001485102812 1191652516 /nfs/dbraw/zinc/65/25/16/1191652516.db2.gz STEKRLNCKKXDKU-JTTJXQCZSA-N 1 3 327.488 2.483 10 0 EEAEHO Cc1ncc(CN[C@@H](C)[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)s1 ZINC001485167144 1191677141 /nfs/dbraw/zinc/67/71/41/1191677141.db2.gz UNVXETFEMUPNLT-QWHCGFSZSA-N 1 3 336.505 2.063 10 0 EEAEHO Cc1cncc(CN2CCCCC[C@@H]2CNC(=O)CC[NH+](C)C)c1 ZINC001485482666 1191809464 /nfs/dbraw/zinc/80/94/64/1191809464.db2.gz QFLXLLYFYXTNDX-GOSISDBHSA-N 1 3 332.492 2.203 10 0 EEAEHO CCCN(C)CC(=O)N1CCC([N@H+](C)CCC[C@H]2CCOC2)CC1 ZINC001410254404 1197638920 /nfs/dbraw/zinc/63/89/20/1197638920.db2.gz TXVKJCIKHLSNGT-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCN(C)CC(=O)N1CCC([N@@H+](C)CCC[C@H]2CCOC2)CC1 ZINC001410254404 1197638926 /nfs/dbraw/zinc/63/89/26/1197638926.db2.gz TXVKJCIKHLSNGT-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO CC(C)Cc1cc(N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)ncn1 ZINC000865534920 1198264763 /nfs/dbraw/zinc/26/47/63/1198264763.db2.gz KTUMUNRFKRCJEA-SFHVURJKSA-N 1 3 331.508 2.280 10 0 EEAEHO C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H](NC/C(Cl)=C\Cl)[C@H]2C1 ZINC001410924252 1198587949 /nfs/dbraw/zinc/58/79/49/1198587949.db2.gz MMSAAAQBLIVBPY-XBESVWMLSA-N 1 3 348.318 2.474 10 0 EEAEHO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)CC1 ZINC000810651426 1199645184 /nfs/dbraw/zinc/64/51/84/1199645184.db2.gz MBLMNSWWGJYTEL-APWZRJJASA-N 1 3 339.499 2.389 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C/C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001274578843 1205086131 /nfs/dbraw/zinc/08/61/31/1205086131.db2.gz OULQBOQQHORFFK-YLSAJCSVSA-N 1 3 329.435 2.170 10 0 EEAEHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H](Cc2ccccc2)CN2CCOCC2)C1 ZINC000925479018 1206117602 /nfs/dbraw/zinc/11/76/02/1206117602.db2.gz PRTLFHIPGFROGU-AQNXPRMDSA-N 1 3 345.531 2.426 10 0 EEAEHO Cc1cccc(OC[C@H](O)CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925571294 1206129969 /nfs/dbraw/zinc/12/99/69/1206129969.db2.gz ZCZHNMKDDIUVRE-MISYRCLQSA-N 1 3 332.488 2.493 10 0 EEAEHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CNCCC1(F)F ZINC000925781175 1206153516 /nfs/dbraw/zinc/15/35/16/1206153516.db2.gz HMYHQEJXLYIPMS-INMHGKMJSA-N 1 3 338.446 2.126 10 0 EEAEHO CC[C@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1cnn(C)c1 ZINC000925808482 1206156058 /nfs/dbraw/zinc/15/60/58/1206156058.db2.gz KUTWOJUOELWJEE-IBGZPJMESA-N 1 3 327.476 2.066 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000928435382 1206383241 /nfs/dbraw/zinc/38/32/41/1206383241.db2.gz LZJLCVPCJHPDFK-NEWSRXKRSA-N 1 3 329.488 2.150 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000928435382 1206383243 /nfs/dbraw/zinc/38/32/43/1206383243.db2.gz LZJLCVPCJHPDFK-NEWSRXKRSA-N 1 3 329.488 2.150 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NCC[N@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000827076535 1249791450 /nfs/dbraw/zinc/79/14/50/1249791450.db2.gz ROPITQBPBXPKPW-UKRRQHHQSA-N 1 3 338.883 2.424 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000827076535 1249791462 /nfs/dbraw/zinc/79/14/62/1249791462.db2.gz ROPITQBPBXPKPW-UKRRQHHQSA-N 1 3 338.883 2.424 10 0 EEAEHO CC(C)Cc1ccccc1CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903476144 1240585500 /nfs/dbraw/zinc/58/55/00/1240585500.db2.gz OKQWVSXYTHRQSQ-OTWHNJEPSA-N 1 3 343.471 2.252 10 0 EEAEHO CCCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000903897421 1242383231 /nfs/dbraw/zinc/38/32/31/1242383231.db2.gz YYFCGBFIRSDDQZ-BZZMCLGOSA-N 1 3 347.507 2.228 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CN2CCC([C@H]3CCCCO3)CC2)cnn1C ZINC000903932970 1242554853 /nfs/dbraw/zinc/55/48/53/1242554853.db2.gz IQSGSBRUJZXTSB-QFBILLFUSA-N 1 3 334.508 2.127 10 0 EEAEHO C[NH+](C)CCCC(=O)N1CCC[C@@H]2CN(C/C=C\Cl)CC[C@H]21 ZINC001490984918 1258541054 /nfs/dbraw/zinc/54/10/54/1258541054.db2.gz VGGFAPYVJVMNMY-PLHDSQEVSA-N 1 3 327.900 2.394 10 0 EEAEHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001491478588 1259128996 /nfs/dbraw/zinc/12/89/96/1259128996.db2.gz QWGGATHDSXYQOS-UONOGXRCSA-N 1 3 331.451 2.391 10 0 EEAEHO CCN(CC[NH2+]Cc1ccc(F)c(F)c1)C(=O)CN(C)C(C)C ZINC001273771410 1285301652 /nfs/dbraw/zinc/30/16/52/1285301652.db2.gz GRKHDNHAOIPLFX-UHFFFAOYSA-N 1 3 327.419 2.243 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCOc2ccc(C)cc2)[C@@H]1C ZINC001489300545 1290494887 /nfs/dbraw/zinc/49/48/87/1290494887.db2.gz KGYSSKNNEDZTFP-MJGOQNOKSA-N 1 3 347.503 2.295 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCOc2ccc(C)cc2)[C@@H]1C ZINC001489300545 1290494892 /nfs/dbraw/zinc/49/48/92/1290494892.db2.gz KGYSSKNNEDZTFP-MJGOQNOKSA-N 1 3 347.503 2.295 10 0 EEAEHO C[C@H]1CC[N@H+](CC(=O)NCCCN(C)Cc2ccnc(Cl)c2)C1 ZINC001490250380 1291066581 /nfs/dbraw/zinc/06/65/81/1291066581.db2.gz JEXZYAGRAKEDGJ-AWEZNQCLSA-N 1 3 338.883 2.015 10 0 EEAEHO C[C@H]1CC[N@@H+](CC(=O)NCCCN(C)Cc2ccnc(Cl)c2)C1 ZINC001490250380 1291066590 /nfs/dbraw/zinc/06/65/90/1291066590.db2.gz JEXZYAGRAKEDGJ-AWEZNQCLSA-N 1 3 338.883 2.015 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)C=C3CC[NH2+]CC3)c(C)c2)CC1 ZINC000852872530 1292222635 /nfs/dbraw/zinc/22/26/35/1292222635.db2.gz OYOBDBIXPWDHCW-UHFFFAOYSA-N 1 3 342.487 2.385 10 0 EEAEHO CCC(=O)Nc1ccccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346686 1293183837 /nfs/dbraw/zinc/18/38/37/1293183837.db2.gz JCCJPJOMYKTPMU-HNNXBMFYSA-N 1 3 348.491 2.037 10 0 EEAEHO CCC(=O)Nc1ccccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346686 1293183841 /nfs/dbraw/zinc/18/38/41/1293183841.db2.gz JCCJPJOMYKTPMU-HNNXBMFYSA-N 1 3 348.491 2.037 10 0 EEAEHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCc4nnn(C)c4C3)CC2)C1 ZINC000927149785 1297037945 /nfs/dbraw/zinc/03/79/45/1297037945.db2.gz IWCVOTHNYKCPSN-OIISXLGYSA-N 1 3 331.508 2.305 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCCC(C)(C)C ZINC001278755099 1317980849 /nfs/dbraw/zinc/98/08/49/1317980849.db2.gz DNMSDOYHFQQGKU-SJORKVTESA-N 1 3 341.540 2.094 10 0 EEAEHO Cc1ccc(C)c(OCC[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001265509314 1323189144 /nfs/dbraw/zinc/18/91/44/1323189144.db2.gz ZGVUEDPVOGQDLM-IYARVYRRSA-N 1 3 347.503 2.259 10 0 EEAEHO Cc1ncoc1CNCC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001280143820 1324095980 /nfs/dbraw/zinc/09/59/80/1324095980.db2.gz YGLRIMFLZRGHQY-MRXNPFEDSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1cccc(CCC[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001491837733 1330269998 /nfs/dbraw/zinc/26/99/98/1330269998.db2.gz LNCMHVZWRZGLMP-SFHVURJKSA-N 1 3 340.471 2.332 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001491893607 1330293117 /nfs/dbraw/zinc/29/31/17/1330293117.db2.gz FYUJQLPOVMXLIH-IRXDYDNUSA-N 1 3 336.455 2.080 10 0 EEAEHO CN(CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)Cc1cccnc1 ZINC001316854668 1331937236 /nfs/dbraw/zinc/93/72/36/1331937236.db2.gz STXANXZXWAORKM-QZTJIDSGSA-N 1 3 330.476 2.037 10 0 EEAEHO CN(CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)Cc1cccnc1 ZINC001316854668 1331937239 /nfs/dbraw/zinc/93/72/39/1331937239.db2.gz STXANXZXWAORKM-QZTJIDSGSA-N 1 3 330.476 2.037 10 0 EEAEHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC1CCOCC1)N(C)C ZINC001317190686 1332123316 /nfs/dbraw/zinc/12/33/16/1332123316.db2.gz WVTZRLJWWOADNB-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO CCc1ccccc1CC[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001317343255 1332187331 /nfs/dbraw/zinc/18/73/31/1332187331.db2.gz KAIBITZHOAJXDQ-GOSISDBHSA-N 1 3 343.515 2.325 10 0 EEAEHO CCOCCN1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001317503263 1332269546 /nfs/dbraw/zinc/26/95/46/1332269546.db2.gz ZTQSGJGTGVAKJO-QGZVFWFLSA-N 1 3 339.524 2.116 10 0 EEAEHO CC[C@H](C(=O)N(C)CC[NH2+]CCc1ccccc1Cl)N(C)C ZINC001317597794 1332317459 /nfs/dbraw/zinc/31/74/59/1332317459.db2.gz CJGGIRTXUYBGGF-MRXNPFEDSA-N 1 3 325.884 2.271 10 0 EEAEHO COCCCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001317868163 1332436203 /nfs/dbraw/zinc/43/62/03/1332436203.db2.gz AMJWGDGODSXVCF-GOSISDBHSA-N 1 3 339.524 2.068 10 0 EEAEHO COCCCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001317868163 1332436205 /nfs/dbraw/zinc/43/62/05/1332436205.db2.gz AMJWGDGODSXVCF-GOSISDBHSA-N 1 3 339.524 2.068 10 0 EEAEHO COCCCCN1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001317993840 1332459075 /nfs/dbraw/zinc/45/90/75/1332459075.db2.gz DQGHVRVMXNEMEQ-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001319710313 1332747734 /nfs/dbraw/zinc/74/77/34/1332747734.db2.gz LVEFVYGKYGVOBS-APWZRJJASA-N 1 3 347.503 2.225 10 0 EEAEHO Cc1nc(C[NH2+]CC[C@H](C)NC(=O)CN2CC[C@@H](C)C2)sc1C ZINC001320549239 1332907716 /nfs/dbraw/zinc/90/77/16/1332907716.db2.gz PMBKNPIYTIEYMV-OLZOCXBDSA-N 1 3 338.521 2.086 10 0 EEAEHO Cc1ccc(F)cc1CNC/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321063615 1333008767 /nfs/dbraw/zinc/00/87/67/1333008767.db2.gz IOMZBTFSGJAAKC-LSTKMXGYSA-N 1 3 345.462 2.238 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCCC(F)(F)F ZINC001321134592 1333026955 /nfs/dbraw/zinc/02/69/55/1333026955.db2.gz FISKNMSCGANNCS-VQTKUKTRSA-N 1 3 335.414 2.321 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCCC(F)(F)F ZINC001321134592 1333026957 /nfs/dbraw/zinc/02/69/57/1333026957.db2.gz FISKNMSCGANNCS-VQTKUKTRSA-N 1 3 335.414 2.321 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C(F)F)cc1 ZINC001321187930 1333040296 /nfs/dbraw/zinc/04/02/96/1333040296.db2.gz DZEUIULGURFNPY-RXYHWBRQSA-N 1 3 337.414 2.480 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001322682467 1333306442 /nfs/dbraw/zinc/30/64/42/1333306442.db2.gz IVHRDSOPRDNBKO-HUUCEWRRSA-N 1 3 333.467 2.446 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001326332715 1334070384 /nfs/dbraw/zinc/07/03/84/1334070384.db2.gz NBQLIIXHKLFTKD-MAUKXSAKSA-N 1 3 333.451 2.248 10 0 EEAEHO CCOCCN(C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001328780290 1334519546 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Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)CN(C)CC(C)(C)C)o1 ZINC001668214700 1355900893 /nfs/dbraw/zinc/90/08/93/1355900893.db2.gz NNGMTBVNODQGQB-CYBMUJFWSA-N 1 3 338.496 2.254 10 0 EEAEHO C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001668214849 1355901008 /nfs/dbraw/zinc/90/10/08/1355901008.db2.gz QLMRPBLVITYKIM-ZIAGYGMSSA-N 1 3 339.430 2.291 10 0 EEAEHO Cc1nc(C)c(C[N@H+]2CCC[C@@H]2CCCNC(=O)[C@@H]2CCCN2C)o1 ZINC001567247252 1342717641 /nfs/dbraw/zinc/71/76/41/1342717641.db2.gz MIIWXJFDHFBHCW-IRXDYDNUSA-N 1 3 348.491 2.246 10 0 EEAEHO Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2CCCNC(=O)[C@@H]2CCCN2C)o1 ZINC001567247252 1342717642 /nfs/dbraw/zinc/71/76/42/1342717642.db2.gz MIIWXJFDHFBHCW-IRXDYDNUSA-N 1 3 348.491 2.246 10 0 EEAEHO CCOCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001661235640 1354615304 /nfs/dbraw/zinc/61/53/04/1354615304.db2.gz LWNNWYHGLRDLEO-MSOLQXFVSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001661235640 1354615305 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CC(C)N1C[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H](C)C1 ZINC000131855726 462830378 /nfs/dbraw/zinc/83/03/78/462830378.db2.gz SECKJLJXQNHRKY-WMZOPIPTSA-N 1 3 336.524 2.233 10 0 EEAEHO CN1CCC(NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000155260349 462866926 /nfs/dbraw/zinc/86/69/26/462866926.db2.gz JOZNCZUSSNCIBX-HXUWFJFHSA-N 1 3 344.503 2.435 10 0 EEAEHO CN1CCC(NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000155260349 462866929 /nfs/dbraw/zinc/86/69/29/462866929.db2.gz JOZNCZUSSNCIBX-HXUWFJFHSA-N 1 3 344.503 2.435 10 0 EEAEHO C[C@H](CNC(=O)c1ccccc1OCC[NH+](C)C)N1CCC(C)CC1 ZINC000067269544 462985512 /nfs/dbraw/zinc/98/55/12/462985512.db2.gz QTWHIBHSQXOGQD-QGZVFWFLSA-N 1 3 347.503 2.477 10 0 EEAEHO C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000043239708 463629697 /nfs/dbraw/zinc/62/96/97/463629697.db2.gz FQWRDIDZPOLCFO-PKOBYXMFSA-N 1 3 344.503 2.435 10 0 EEAEHO C[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000043239708 463629700 /nfs/dbraw/zinc/62/97/00/463629700.db2.gz FQWRDIDZPOLCFO-PKOBYXMFSA-N 1 3 344.503 2.435 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)n1cccc1 ZINC000522649788 468373835 /nfs/dbraw/zinc/37/38/35/468373835.db2.gz AHQYSZBHETWPCP-MSOLQXFVSA-N 1 3 334.508 2.314 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)n1cccc1 ZINC000522649788 468373839 /nfs/dbraw/zinc/37/38/39/468373839.db2.gz AHQYSZBHETWPCP-MSOLQXFVSA-N 1 3 334.508 2.314 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000268883917 463792971 /nfs/dbraw/zinc/79/29/71/463792971.db2.gz YNQMAQDLWOWRNI-NRSPTQNISA-N 1 3 345.531 2.333 10 0 EEAEHO C[C@H](CN1CCN(C)CC1)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268923052 463809920 /nfs/dbraw/zinc/80/99/20/463809920.db2.gz XHKUBFQLYMRWNS-SBHAEUEKSA-N 1 3 344.547 2.123 10 0 EEAEHO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000249685401 464903027 /nfs/dbraw/zinc/90/30/27/464903027.db2.gz GHRQIHUTSDIGJZ-IEBWSBKVSA-N 1 3 346.519 2.190 10 0 EEAEHO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000249685401 464903032 /nfs/dbraw/zinc/90/30/32/464903032.db2.gz GHRQIHUTSDIGJZ-IEBWSBKVSA-N 1 3 346.519 2.190 10 0 EEAEHO CCN1CC[C@H](C[NH2+][C@H](C)[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000267207527 464921363 /nfs/dbraw/zinc/92/13/63/464921363.db2.gz GWKDRMBOGDJHGP-QWFCFKBJSA-N 1 3 331.504 2.380 10 0 EEAEHO Cc1ccsc1[C@@H](CO)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000337357104 465326098 /nfs/dbraw/zinc/32/60/98/465326098.db2.gz CDXSZQXWZYLZES-MRXNPFEDSA-N 1 3 325.522 2.096 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000362469892 465764962 /nfs/dbraw/zinc/76/49/62/465764962.db2.gz DATKAAFXRSXZEA-XWTMOSNGSA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000362469892 465764966 /nfs/dbraw/zinc/76/49/66/465764966.db2.gz DATKAAFXRSXZEA-XWTMOSNGSA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000331906675 466298160 /nfs/dbraw/zinc/29/81/60/466298160.db2.gz LFXMDUNEHXVFHI-BZZMCLGOSA-N 1 3 330.476 2.201 10 0 EEAEHO C[NH+](C)Cc1cccc(CNC(=O)NC[C@H](N)c2ccccc2)c1 ZINC000417061658 466768388 /nfs/dbraw/zinc/76/83/88/466768388.db2.gz FZIPKNNRDLPBAH-SFHVURJKSA-N 1 3 326.444 2.247 10 0 EEAEHO CSc1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000411760588 466895165 /nfs/dbraw/zinc/89/51/65/466895165.db2.gz SMPPXPBIHROWLF-QAPCUYQASA-N 1 3 336.501 2.176 10 0 EEAEHO CSc1ccc(OC[C@H](O)C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000411760588 466895169 /nfs/dbraw/zinc/89/51/69/466895169.db2.gz SMPPXPBIHROWLF-QAPCUYQASA-N 1 3 336.501 2.176 10 0 EEAEHO CN1CCC[C@@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@H]1c1cccs1 ZINC000417737751 466920537 /nfs/dbraw/zinc/92/05/37/466920537.db2.gz OFDGMZIWUPFDIT-AESZEHBQSA-N 1 3 348.516 2.134 10 0 EEAEHO CCN1CC[C@H](C[NH2+][C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000370671546 466960802 /nfs/dbraw/zinc/96/08/02/466960802.db2.gz UCTKWKNZJFZOIB-MISYRCLQSA-N 1 3 331.504 2.207 10 0 EEAEHO CC[N@@H+]1CC[C@H](CN[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000370671546 466960806 /nfs/dbraw/zinc/96/08/06/466960806.db2.gz UCTKWKNZJFZOIB-MISYRCLQSA-N 1 3 331.504 2.207 10 0 EEAEHO CC[N@H+]1CC[C@H](CN[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000370671546 466960810 /nfs/dbraw/zinc/96/08/10/466960810.db2.gz UCTKWKNZJFZOIB-MISYRCLQSA-N 1 3 331.504 2.207 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418005217 467019832 /nfs/dbraw/zinc/01/98/32/467019832.db2.gz DFYXXNKBJBLCEL-AYOQOUSVSA-N 1 3 342.487 2.043 10 0 EEAEHO C[C@H]([NH3+])c1ccc(CNC(=O)NCCCN2CCCO[C@@H](C)C2)cc1 ZINC000418112025 467048842 /nfs/dbraw/zinc/04/88/42/467048842.db2.gz HLBVFDHXLUMGRO-HOTGVXAUSA-N 1 3 348.491 2.006 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000418148207 467058460 /nfs/dbraw/zinc/05/84/60/467058460.db2.gz REJISHLSSLCIHU-ATZDWAIDSA-N 1 3 344.503 2.194 10 0 EEAEHO CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418467688 467115532 /nfs/dbraw/zinc/11/55/32/467115532.db2.gz OVHIFIPZOKEZRA-ZWKOTPCHSA-N 1 3 332.492 2.420 10 0 EEAEHO CCc1ccccc1[C@H](N)CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000418652841 467141304 /nfs/dbraw/zinc/14/13/04/467141304.db2.gz NMYKNVDACKHPJU-BMGDILEWSA-N 1 3 332.492 2.230 10 0 EEAEHO CCc1ccccc1[C@H](N)CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000418652841 467141306 /nfs/dbraw/zinc/14/13/06/467141306.db2.gz NMYKNVDACKHPJU-BMGDILEWSA-N 1 3 332.492 2.230 10 0 EEAEHO CN(C(=O)C[C@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388520623 467396400 /nfs/dbraw/zinc/39/64/00/467396400.db2.gz QILXAZJEXKQFIW-MOPGFXCFSA-N 1 3 329.488 2.499 10 0 EEAEHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CCOCC1 ZINC000414309972 467400340 /nfs/dbraw/zinc/40/03/40/467400340.db2.gz SIOYOPHEJYRERT-QGZVFWFLSA-N 1 3 332.488 2.418 10 0 EEAEHO C[C@H](Cc1ccoc1)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000449114901 467619322 /nfs/dbraw/zinc/61/93/22/467619322.db2.gz FNTHMAJSBSFYQW-OAHLLOKOSA-N 1 3 329.444 2.292 10 0 EEAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCC(=O)N(C)C2)CC1 ZINC000449155906 467621334 /nfs/dbraw/zinc/62/13/34/467621334.db2.gz CLABHWZTBILBEA-QFBILLFUSA-N 1 3 329.488 2.292 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]CCC2(CO)CC2)CC1 ZINC000449579726 467666017 /nfs/dbraw/zinc/66/60/17/467666017.db2.gz JGCLHEBYRQDOHV-UHFFFAOYSA-N 1 3 331.504 2.471 10 0 EEAEHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000514720174 467950924 /nfs/dbraw/zinc/95/09/24/467950924.db2.gz MZHWDWCBUJLSSP-IIAWOOMASA-N 1 3 345.491 2.282 10 0 EEAEHO Cc1cccc(Cl)c1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000515453578 467992211 /nfs/dbraw/zinc/99/22/11/467992211.db2.gz NXRIXZRBWWKSOF-UHFFFAOYSA-N 1 3 325.884 2.143 10 0 EEAEHO COCC(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c1 ZINC000516200469 468019117 /nfs/dbraw/zinc/01/91/17/468019117.db2.gz KFQKXRJIXCDNME-RCCFBDPRSA-N 1 3 331.460 2.234 10 0 EEAEHO CC(C)CC[C@@H](O)C[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000570921344 468713685 /nfs/dbraw/zinc/71/36/85/468713685.db2.gz XKNWWARYMSFMIM-GOSISDBHSA-N 1 3 325.541 2.323 10 0 EEAEHO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000593602250 469054824 /nfs/dbraw/zinc/05/48/24/469054824.db2.gz NCOJTRKWIAOKGB-HNNXBMFYSA-N 1 3 328.497 2.181 10 0 EEAEHO CC[N@@H+]1CC[C@H](NC[C@H](Cc2ccc(F)cc2C)C(=O)NC)[C@@H](C)C1 ZINC000563127519 469176807 /nfs/dbraw/zinc/17/68/07/469176807.db2.gz YGHLUXDHFNESGV-IEZWGBDMSA-N 1 3 349.494 2.359 10 0 EEAEHO CC[N@H+]1CC[C@H](NC[C@H](Cc2ccc(F)cc2C)C(=O)NC)[C@@H](C)C1 ZINC000563127519 469176817 /nfs/dbraw/zinc/17/68/17/469176817.db2.gz YGHLUXDHFNESGV-IEZWGBDMSA-N 1 3 349.494 2.359 10 0 EEAEHO C[C@H](CN1CCC(C)CC1)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000618991181 469492010 /nfs/dbraw/zinc/49/20/10/469492010.db2.gz VEAISOIFHFRYOZ-QGZVFWFLSA-N 1 3 347.503 2.477 10 0 EEAEHO C[N@@H+]1CC[C@H](NC[C@H](Cc2ccccc2Cl)C(N)=O)CC1(C)C ZINC000623486160 469672021 /nfs/dbraw/zinc/67/20/21/469672021.db2.gz PHHQZHZGQGUWRX-GJZGRUSLSA-N 1 3 337.895 2.446 10 0 EEAEHO C[N@H+]1CC[C@H](NC[C@H](Cc2ccccc2Cl)C(N)=O)CC1(C)C ZINC000623486160 469672027 /nfs/dbraw/zinc/67/20/27/469672027.db2.gz PHHQZHZGQGUWRX-GJZGRUSLSA-N 1 3 337.895 2.446 10 0 EEAEHO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)N[C@H]1CCCN(C)C1 ZINC000607236563 469677858 /nfs/dbraw/zinc/67/78/58/469677858.db2.gz VHDHONYCZQHFBY-HKUYNNGSSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@H]1CCCN(C)C1 ZINC000607236563 469677860 /nfs/dbraw/zinc/67/78/60/469677860.db2.gz VHDHONYCZQHFBY-HKUYNNGSSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ocnc1-c1ccccc1 ZINC000617507804 469708274 /nfs/dbraw/zinc/70/82/74/469708274.db2.gz JSECUORISMVQDP-HNNXBMFYSA-N 1 3 344.459 2.343 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ocnc1-c1ccccc1 ZINC000617507804 469708276 /nfs/dbraw/zinc/70/82/76/469708276.db2.gz JSECUORISMVQDP-HNNXBMFYSA-N 1 3 344.459 2.343 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000626931263 469759288 /nfs/dbraw/zinc/75/92/88/469759288.db2.gz ZLHOMNUDWVMTDH-RBUKOAKNSA-N 1 3 344.503 2.399 10 0 EEAEHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000617701739 469765471 /nfs/dbraw/zinc/76/54/71/469765471.db2.gz APCVBDPBLYCKHN-MAUKXSAKSA-N 1 3 347.503 2.036 10 0 EEAEHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@@H]1CCCCO1 ZINC000623916330 469795753 /nfs/dbraw/zinc/79/57/53/469795753.db2.gz LZVBJKDIZICVBR-YJBOKZPZSA-N 1 3 333.476 2.025 10 0 EEAEHO C[C@@H](NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@H](c1ccccc1)N(C)C ZINC000627033892 469797290 /nfs/dbraw/zinc/79/72/90/469797290.db2.gz XLVIVXYHIOCMAH-QOJCHSLYSA-N 1 3 344.503 2.319 10 0 EEAEHO O=C([C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCN2CCC1CC2 ZINC000613862411 469807471 /nfs/dbraw/zinc/80/74/71/469807471.db2.gz XTRHGUJCJYZPRM-IBGZPJMESA-N 1 3 327.472 2.173 10 0 EEAEHO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC(N2CCCOCC2)CC1 ZINC000627740275 469987777 /nfs/dbraw/zinc/98/77/77/469987777.db2.gz IRDACAAJFCBVAU-LJQANCHMSA-N 1 3 349.519 2.107 10 0 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MURMUWZDKPXPOL-KURKYZTESA-N 1 3 339.524 2.112 10 0 EEAEHO CC[C@@H](C(=O)NC1(C[NH2+]C[C@@H]2CCCOC2)CCCCC1)N(C)C ZINC001485455480 1191791903 /nfs/dbraw/zinc/79/19/03/1191791903.db2.gz MJLJYVUAUKCSKF-IRXDYDNUSA-N 1 3 339.524 2.162 10 0 EEAEHO CCCN(C)CC(=O)N(C)C1CC([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001486481600 1193995767 /nfs/dbraw/zinc/99/57/67/1193995767.db2.gz UYKYACDJSNMCSQ-NFOMZHRRSA-N 1 3 331.451 2.343 10 0 EEAEHO Cc1cnc(CNCC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC001273052291 1194356781 /nfs/dbraw/zinc/35/67/81/1194356781.db2.gz KJMBZOSJBVKJSC-CRAIPNDOSA-N 1 3 347.507 2.032 10 0 EEAEHO Cc1cnc(CNCC[C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)cn1 ZINC001273052291 1194356785 /nfs/dbraw/zinc/35/67/85/1194356785.db2.gz KJMBZOSJBVKJSC-CRAIPNDOSA-N 1 3 347.507 2.032 10 0 EEAEHO CN(CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C/C=C/Cl)C[C@H]2C1)C1CCC1 ZINC001410196668 1197598457 /nfs/dbraw/zinc/59/84/57/1197598457.db2.gz MLBDLLRUEATRTO-ZBHOMTMDSA-N 1 3 339.911 2.440 10 0 EEAEHO CN(CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C/C=C/Cl)C[C@H]2C1)C1CCC1 ZINC001410196668 1197598459 /nfs/dbraw/zinc/59/84/59/1197598459.db2.gz MLBDLLRUEATRTO-ZBHOMTMDSA-N 1 3 339.911 2.440 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccnc1C ZINC001410501898 1198056683 /nfs/dbraw/zinc/05/66/83/1198056683.db2.gz HZTMHRCGWMGXLD-QAPCUYQASA-N 1 3 332.492 2.201 10 0 EEAEHO C[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000810133182 1199290950 /nfs/dbraw/zinc/29/09/50/1199290950.db2.gz CWETTWNDIVMZGY-VKJFTORMSA-N 1 3 327.488 2.436 10 0 EEAEHO C[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000810133182 1199290955 /nfs/dbraw/zinc/29/09/55/1199290955.db2.gz CWETTWNDIVMZGY-VKJFTORMSA-N 1 3 327.488 2.436 10 0 EEAEHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC000866711266 1201586824 /nfs/dbraw/zinc/58/68/24/1201586824.db2.gz GNYPRAURCWITHP-OWLYRPNTSA-N 1 3 345.418 2.070 10 0 EEAEHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)N(C)Cc1ccccc1 ZINC000868234258 1201772356 /nfs/dbraw/zinc/77/23/56/1201772356.db2.gz ZSIXBOHEZDGKTE-BHIYHBOVSA-N 1 3 344.503 2.243 10 0 EEAEHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)N(C)Cc1ccccc1 ZINC000868234258 1201772358 /nfs/dbraw/zinc/77/23/58/1201772358.db2.gz ZSIXBOHEZDGKTE-BHIYHBOVSA-N 1 3 344.503 2.243 10 0 EEAEHO Cc1ccccc1OCC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001490827175 1205912732 /nfs/dbraw/zinc/91/27/32/1205912732.db2.gz YQZVUXTTXKXCKL-KRWDZBQOSA-N 1 3 345.487 2.049 10 0 EEAEHO O[C@H](CN[C@H](Cc1ccccc1)Cc1cccnc1)C[NH+]1CCCC1 ZINC000924757990 1206028346 /nfs/dbraw/zinc/02/83/46/1206028346.db2.gz RWOMTLVEFIZMMH-NHCUHLMSSA-N 1 3 339.483 2.282 10 0 EEAEHO CCCN(C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[C@@H]1CCN(C)C1 ZINC000925915419 1206167802 /nfs/dbraw/zinc/16/78/02/1206167802.db2.gz LYASJXJBOVFCQU-QZTJIDSGSA-N 1 3 347.507 2.200 10 0 EEAEHO CN(C[C@H](O)CC[C@H](O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930461139 1206559972 /nfs/dbraw/zinc/55/99/72/1206559972.db2.gz UVDZHLPRDDHSFL-MJIXASBWSA-N 1 3 332.488 2.418 10 0 EEAEHO CN(C[C@H](O)CC[C@H](O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930461139 1206559973 /nfs/dbraw/zinc/55/99/73/1206559973.db2.gz UVDZHLPRDDHSFL-MJIXASBWSA-N 1 3 332.488 2.418 10 0 EEAEHO O[C@@H](CN1CCCC1)C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000801569365 1235850851 /nfs/dbraw/zinc/85/08/51/1235850851.db2.gz ONUKRXGKMIFXSN-IBGZPJMESA-N 1 3 347.478 2.109 10 0 EEAEHO c1cc2c(c([C@@H]3CCCN3C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)c1)OCCO2 ZINC000903725777 1241730852 /nfs/dbraw/zinc/73/08/52/1241730852.db2.gz HGCIRUXWJTVWRK-KNBMTAEXSA-N 1 3 344.455 2.363 10 0 EEAEHO CC(=O)c1ccc2c(c1)CCN(C[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000903757031 1241850689 /nfs/dbraw/zinc/85/06/89/1241850689.db2.gz AQGCBKKXYMLMKI-FQEVSTJZSA-N 1 3 342.483 2.449 10 0 EEAEHO CCOc1ccccc1CC[NH2+]C[C@@H](CN)Cc1cnn(C)c1C ZINC000903923075 1242514437 /nfs/dbraw/zinc/51/44/37/1242514437.db2.gz KPUBUECWNPEFEY-MRXNPFEDSA-N 1 3 330.476 2.077 10 0 EEAEHO CC[C@@H](CNCc1cnnn1[C@@H]1CCC[NH2+]C1)Oc1ccccc1C ZINC000903923484 1242517116 /nfs/dbraw/zinc/51/71/16/1242517116.db2.gz VIYDUXXTWHVCQF-AEFFLSMTSA-N 1 3 343.475 2.458 10 0 EEAEHO C[NH+](C)CCCCC(=O)N1CC[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001671086617 1278409943 /nfs/dbraw/zinc/40/99/43/1278409943.db2.gz YPSWABXLEUNOPP-FQEVSTJZSA-N 1 3 344.503 2.238 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCNCc1cc(C2CC2)no1 ZINC001272774372 1277941964 /nfs/dbraw/zinc/94/19/64/1277941964.db2.gz USHBTBUVBGZLRW-KBXCAEBGSA-N 1 3 348.491 2.409 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCNCc1cc(C2CC2)no1 ZINC001272774372 1277941968 /nfs/dbraw/zinc/94/19/68/1277941968.db2.gz USHBTBUVBGZLRW-KBXCAEBGSA-N 1 3 348.491 2.409 10 0 EEAEHO CCc1ccccc1CC[NH2+]CCN(CC)C(=O)[C@H]1CCCN1C ZINC001273546411 1279626266 /nfs/dbraw/zinc/62/62/66/1279626266.db2.gz NWKZGVGQSCYUEQ-LJQANCHMSA-N 1 3 331.504 2.324 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CCCCCF)C1 ZINC001490549771 1291423569 /nfs/dbraw/zinc/42/35/69/1291423569.db2.gz GLTRTZZONLAPAA-SJORKVTESA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CCCCCF)C1 ZINC001490549771 1291423573 /nfs/dbraw/zinc/42/35/73/1291423573.db2.gz GLTRTZZONLAPAA-SJORKVTESA-N 1 3 327.488 2.437 10 0 EEAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](NCc1cncc(F)c1)C1CC1 ZINC001490675592 1291558838 /nfs/dbraw/zinc/55/88/38/1291558838.db2.gz YBPYIOMBHOGZRZ-MSOLQXFVSA-N 1 3 348.466 2.080 10 0 EEAEHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](NCc1cncc(F)c1)C1CC1 ZINC001490675592 1291558848 /nfs/dbraw/zinc/55/88/48/1291558848.db2.gz YBPYIOMBHOGZRZ-MSOLQXFVSA-N 1 3 348.466 2.080 10 0 EEAEHO Cn1cc(CNCCc2ccc(OCC[NH+](C)C)cc2)c(Cl)n1 ZINC000856769751 1293626587 /nfs/dbraw/zinc/62/65/87/1293626587.db2.gz ZUGSJKLERVQGHB-UHFFFAOYSA-N 1 3 336.867 2.346 10 0 EEAEHO FC(F)(F)[C@@H](CNCc1cncc2ccccc21)N1CC[NH2+]CC1 ZINC000841069886 1315467442 /nfs/dbraw/zinc/46/74/42/1315467442.db2.gz FQAIMIJTPPZIAL-MRXNPFEDSA-N 1 3 338.377 2.161 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NC[C@H]([NH3+])c2ccccc2)cc(Cl)n1 ZINC000841847937 1315622816 /nfs/dbraw/zinc/62/28/16/1315622816.db2.gz NJGDVHHPVIYANF-GJZGRUSLSA-N 1 3 332.835 2.250 10 0 EEAEHO C[C@@H](NCc1nccs1)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001279038056 1319058936 /nfs/dbraw/zinc/05/89/36/1319058936.db2.gz DNBJVNISDWJLFG-HUUCEWRRSA-N 1 3 338.521 2.202 10 0 EEAEHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cc(C)ccc1F ZINC001266109515 1323677603 /nfs/dbraw/zinc/67/76/03/1323677603.db2.gz ZMHGHFWYLJVRHH-MRXNPFEDSA-N 1 3 335.467 2.414 10 0 EEAEHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cc(C)ccc1F ZINC001266109515 1323677608 /nfs/dbraw/zinc/67/76/08/1323677608.db2.gz ZMHGHFWYLJVRHH-MRXNPFEDSA-N 1 3 335.467 2.414 10 0 EEAEHO CC[C@@H](C(=O)NC1(CO)CCN(CC=C(C)C)CC1)[NH+](CC)CC ZINC001281817788 1325472280 /nfs/dbraw/zinc/47/22/80/1325472280.db2.gz VKWZBVRCTJMQGD-KRWDZBQOSA-N 1 3 339.524 2.016 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(N(C)C)c2)C1 ZINC001491850670 1330273898 /nfs/dbraw/zinc/27/38/98/1330273898.db2.gz WKAOVXSAFHBADV-GOSISDBHSA-N 1 3 346.519 2.033 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001491893608 1330293034 /nfs/dbraw/zinc/29/30/34/1330293034.db2.gz FYUJQLPOVMXLIH-SJORKVTESA-N 1 3 336.455 2.080 10 0 EEAEHO CCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C(F)(F)F ZINC001316728264 1331864364 /nfs/dbraw/zinc/86/43/64/1331864364.db2.gz VVYSRCOFFPVTQK-KBPBESRZSA-N 1 3 337.430 2.355 10 0 EEAEHO CC[C@H](F)CN(CCCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001316922127 1331988731 /nfs/dbraw/zinc/98/87/31/1331988731.db2.gz OJWJEXLHXKOOCY-HNNXBMFYSA-N 1 3 325.472 2.334 10 0 EEAEHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCCOc3ccccc3)C2)C1 ZINC001317119959 1332086712 /nfs/dbraw/zinc/08/67/12/1332086712.db2.gz MMFVNJRTQFOSRH-OKZBNKHCSA-N 1 3 345.487 2.034 10 0 EEAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCOc1ccccc1 ZINC001317241371 1332148832 /nfs/dbraw/zinc/14/88/32/1332148832.db2.gz LYZWWTPKXQFSBC-KRWDZBQOSA-N 1 3 347.503 2.424 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2conc2C)C1)N(C)C ZINC001318852593 1332611679 /nfs/dbraw/zinc/61/16/79/1332611679.db2.gz WYGLFTDVFIBALD-WBVHZDCISA-N 1 3 336.480 2.042 10 0 EEAEHO C[C@@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)Cc1c[nH]cn1 ZINC001319537174 1332717595 /nfs/dbraw/zinc/71/75/95/1332717595.db2.gz DCANBKMMYBCALQ-AWEZNQCLSA-N 1 3 332.423 2.161 10 0 EEAEHO O=C(NC/C=C/CNCc1cccc(C(F)F)c1)C12CC[NH+](CC1)C2 ZINC001321337664 1333078174 /nfs/dbraw/zinc/07/81/74/1333078174.db2.gz QIMILEDLNZJJEJ-OWOJBTEDSA-N 1 3 349.425 2.482 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH2+]CC/C=C\c1ccccc1 ZINC001321722613 1333148575 /nfs/dbraw/zinc/14/85/75/1333148575.db2.gz GMPUMTQADIHDAZ-IZIDJEDMSA-N 1 3 326.444 2.458 10 0 EEAEHO CN(CCC[NH2+]Cc1cc(F)ccc1F)C(=O)CN(C)C1CCC1 ZINC001322542499 1333279193 /nfs/dbraw/zinc/27/91/93/1333279193.db2.gz CTQSGISCKWUSAJ-UHFFFAOYSA-N 1 3 339.430 2.387 10 0 EEAEHO COc1ccc(C)cc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001322651029 1333300635 /nfs/dbraw/zinc/30/06/35/1333300635.db2.gz ILUUGMTVOSXVFG-SFHVURJKSA-N 1 3 347.503 2.426 10 0 EEAEHO CN(CCC[NH2+]CC1CCC(F)(F)CC1)C(=O)Cc1c[nH]cn1 ZINC001322710989 1333311808 /nfs/dbraw/zinc/31/18/08/1333311808.db2.gz OSXVMYOGXXMAPW-UHFFFAOYSA-N 1 3 328.407 2.216 10 0 EEAEHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCOC(C)C ZINC001323142640 1333395564 /nfs/dbraw/zinc/39/55/64/1333395564.db2.gz JJEJPPIHGSPKPQ-IRXDYDNUSA-N 1 3 339.524 2.112 10 0 EEAEHO CCOCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001324555876 1333707894 /nfs/dbraw/zinc/70/78/94/1333707894.db2.gz CBRCOXWTIVSGRP-IEBWSBKVSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001324555876 1333707898 /nfs/dbraw/zinc/70/78/98/1333707898.db2.gz CBRCOXWTIVSGRP-IEBWSBKVSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1nc(CNCC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001326351130 1334074448 /nfs/dbraw/zinc/07/44/48/1334074448.db2.gz FSZOAJJPINBBRC-HNNXBMFYSA-N 1 3 338.521 2.040 10 0 EEAEHO CCCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001330549510 1334868975 /nfs/dbraw/zinc/86/89/75/1334868975.db2.gz DUIFSFAQDPADLE-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCF ZINC001667494168 1355750575 /nfs/dbraw/zinc/75/05/75/1355750575.db2.gz SSMMILWQWOZUHL-PBHICJAKSA-N 1 3 333.467 2.289 10 0 EEAEHO COCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001500265192 1342122216 /nfs/dbraw/zinc/12/22/16/1342122216.db2.gz PTQWPIOYDVXOGK-MJGOQNOKSA-N 1 3 339.524 2.258 10 0 EEAEHO COCCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001500265192 1342122222 /nfs/dbraw/zinc/12/22/22/1342122222.db2.gz PTQWPIOYDVXOGK-MJGOQNOKSA-N 1 3 339.524 2.258 10 0 EEAEHO COC(=O)/C=C/c1ccc(OCCN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1 ZINC001560055975 1342506914 /nfs/dbraw/zinc/50/69/14/1342506914.db2.gz TXKFJQNDKGOCBB-GNLKBHMISA-N 1 3 344.455 2.135 10 0 EEAEHO COC(=O)/C=C/c1ccc(OCCN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1 ZINC001560055975 1342506920 /nfs/dbraw/zinc/50/69/20/1342506920.db2.gz TXKFJQNDKGOCBB-GNLKBHMISA-N 1 3 344.455 2.135 10 0 EEAEHO CC1CCN(CC(=O)N(C)CC[NH2+]CCCCC(F)(F)F)CC1 ZINC001567580223 1342786649 /nfs/dbraw/zinc/78/66/49/1342786649.db2.gz QQIXAFUTATYBAD-UHFFFAOYSA-N 1 3 337.430 2.499 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccnc(Cl)c2)[C@H]1C ZINC001676686560 1357180761 /nfs/dbraw/zinc/18/07/61/1357180761.db2.gz OIVHVGDNGOLWLF-HIFRSBDPSA-N 1 3 338.883 2.156 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@H](CNCc1ccnc(Cl)c1)C(C)(C)C ZINC001677282579 1357307196 /nfs/dbraw/zinc/30/71/96/1357307196.db2.gz WAJZXXHLCBIVNV-AWEZNQCLSA-N 1 3 340.899 2.307 10 0 EEAEHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(NC4=NCCC4)cc3)[C@H]2C1 ZINC001649360317 1353496897 /nfs/dbraw/zinc/49/68/97/1353496897.db2.gz NXJCFUTZRNEQNB-XIRDDKMYSA-N 1 3 326.444 2.361 10 0 EEAEHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(NC4=NCCC4)cc3)[C@H]2C1 ZINC001649360317 1353496898 /nfs/dbraw/zinc/49/68/98/1353496898.db2.gz NXJCFUTZRNEQNB-XIRDDKMYSA-N 1 3 326.444 2.361 10 0 EEAEHO CC[NH+](CC)CC[C@H](C)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC001650613805 1354023705 /nfs/dbraw/zinc/02/37/05/1354023705.db2.gz RUDZTIYCQATIPZ-KRWDZBQOSA-N 1 3 339.524 2.258 10 0 EEAEHO CCOCCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001656397959 1354227940 /nfs/dbraw/zinc/22/79/40/1354227940.db2.gz ASUWITPUPKRJKI-INIZCTEOSA-N 1 3 348.491 2.082 10 0 EEAEHO CC(C)OC(=O)C[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)C(C)C ZINC001659198447 1354376456 /nfs/dbraw/zinc/37/64/56/1354376456.db2.gz WDMDPNNAJSIRFP-GOSISDBHSA-N 1 3 341.540 2.358 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CCCCOC)CC[C@H]21 ZINC001661554890 1354657328 /nfs/dbraw/zinc/65/73/28/1354657328.db2.gz HRLJZRFDUFSAMI-QZTJIDSGSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CCCCOC)CC[C@H]21 ZINC001661554890 1354657332 /nfs/dbraw/zinc/65/73/32/1354657332.db2.gz HRLJZRFDUFSAMI-QZTJIDSGSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1ncoc1CNC[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001661833274 1354706070 /nfs/dbraw/zinc/70/60/70/1354706070.db2.gz ZBLIPLKXFJCBFV-INIZCTEOSA-N 1 3 336.480 2.043 10 0 EEAEHO Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001662541999 1354805433 /nfs/dbraw/zinc/80/54/33/1354805433.db2.gz YOQDVWZXPGHUIP-PXNSSMCTSA-N 1 3 343.515 2.460 10 0 EEAEHO CN(CC(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2)C1)C1CCC1 ZINC001662641627 1354818058 /nfs/dbraw/zinc/81/80/58/1354818058.db2.gz SZYXUOVQUVLQPW-SFHVURJKSA-N 1 3 329.488 2.152 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCCc3ccsc3)C2)C1 ZINC001662685608 1354825695 /nfs/dbraw/zinc/82/56/95/1354825695.db2.gz MNBQUOFZLQJSIK-AEFFLSMTSA-N 1 3 349.544 2.461 10 0 EEAEHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001663001212 1354886316 /nfs/dbraw/zinc/88/63/16/1354886316.db2.gz NULIJZSXWHUVEK-TZMCWYRMSA-N 1 3 326.872 2.060 10 0 EEAEHO CN(C)Cc1cccc(C(=O)N(C)CC[NH2+]C[C@@H]2CC(C)(C)CO2)c1 ZINC001664391434 1355152980 /nfs/dbraw/zinc/15/29/80/1355152980.db2.gz MLEFZLLLNPHZRI-SFHVURJKSA-N 1 3 347.503 2.225 10 0 EEAEHO C[C@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001666992240 1355628783 /nfs/dbraw/zinc/62/87/83/1355628783.db2.gz MFALVVLULNEOAY-RDTXWAMCSA-N 1 3 327.488 2.436 10 0 EEAEHO CC(C)COCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001667239011 1355682978 /nfs/dbraw/zinc/68/29/78/1355682978.db2.gz RMJMYDLULSTBDD-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CCc1cccc(C[NH2+]C/C=C/CNC(=O)C2(N(C)C)CCC2)c1 ZINC001668864840 1356026904 /nfs/dbraw/zinc/02/69/04/1356026904.db2.gz KXCRZMBJSSPRNN-AATRIKPKSA-N 1 3 329.488 2.495 10 0 EEAEHO C[C@H](CNCc1ccnc(Cl)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001669482437 1356165359 /nfs/dbraw/zinc/16/53/59/1356165359.db2.gz MAOJZFGSOUVBLH-CQSZACIVSA-N 1 3 338.883 2.205 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccnc(Cl)c2)[C@@H](C)C1 ZINC001673922730 1356760232 /nfs/dbraw/zinc/76/02/32/1356760232.db2.gz CCUHGUXXTVZCGB-ZFWWWQNUSA-N 1 3 338.883 2.013 10 0 EEAEHO C[C@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)N(C)C(=O)CN1CCCC1 ZINC001698858184 1405114321 /nfs/dbraw/zinc/11/43/21/1405114321.db2.gz CFTHMIAYVFNJCA-CHWSQXEVSA-N 1 3 336.307 2.103 10 0 EEAEHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCCCCF ZINC001698898236 1405138296 /nfs/dbraw/zinc/13/82/96/1405138296.db2.gz MTLQQVYDXZZAKP-HZPDHXFCSA-N 1 3 327.488 2.437 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)cc2)CC1 ZINC000846674227 790367427 /nfs/dbraw/zinc/36/74/27/790367427.db2.gz KTUQPCDUAYXNBK-OALUTQOASA-N 1 3 342.487 2.298 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N(C)CC[NH+]2CCCCC2)cc(Cl)n1 ZINC000846701255 790441700 /nfs/dbraw/zinc/44/17/00/790441700.db2.gz SXUFDHLNHBQNMS-HNNXBMFYSA-N 1 3 338.883 2.378 10 0 EEAEHO C[C@@H]1CN(CC(=O)N(C)[C@@H]2CCCc3ccccc32)CC[C@H]1C[NH3+] ZINC000923502042 789687611 /nfs/dbraw/zinc/68/76/11/789687611.db2.gz WMKJJLIMNOXOAT-HHXXYDBFSA-N 1 3 329.488 2.439 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]CCc2ccccc2)C2CC2)C1 ZINC001436814375 1088406329 /nfs/dbraw/zinc/40/63/29/1088406329.db2.gz ZBUSTCAFQOTJHM-VQIMIIECSA-N 1 3 329.488 2.055 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](NCc2cccc(Cl)c2F)C1 ZINC001436908839 1088566624 /nfs/dbraw/zinc/56/66/24/1088566624.db2.gz HGYHNFWAKDFDFK-JOCQHMNTSA-N 1 3 327.831 2.168 10 0 EEAEHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H]1CCc2c1cc(F)cc2F ZINC001437233757 1089329330 /nfs/dbraw/zinc/32/93/30/1089329330.db2.gz GGFAQKZNDWQAJY-PXAZEXFGSA-N 1 3 349.425 2.142 10 0 EEAEHO Cc1ncsc1CN[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001437261830 1089405197 /nfs/dbraw/zinc/40/51/97/1089405197.db2.gz DUKFZBPXPHGZOF-CZUORRHYSA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1ncc(CN[C@@H]2CCC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001437321032 1089482443 /nfs/dbraw/zinc/48/24/43/1089482443.db2.gz IKFGEAXCQRARIX-SJORKVTESA-N 1 3 348.491 2.376 10 0 EEAEHO Cc1cncc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C[C@@H]2C)c1 ZINC001438760930 1091328977 /nfs/dbraw/zinc/32/89/77/1091328977.db2.gz AXGOROLWRCXGFB-WMZOPIPTSA-N 1 3 332.492 2.057 10 0 EEAEHO Cc1nocc1C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001438777933 1091372827 /nfs/dbraw/zinc/37/28/27/1091372827.db2.gz YTMRIWFEBPFDTE-HOCLYGCPSA-N 1 3 336.480 2.040 10 0 EEAEHO CC(C)[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)NCc1ccccn1 ZINC001438845302 1091482678 /nfs/dbraw/zinc/48/26/78/1091482678.db2.gz GHTXUGCTOUKYCQ-OALUTQOASA-N 1 3 346.519 2.432 10 0 EEAEHO C[C@H](NC/C(Cl)=C/Cl)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001438868105 1091506026 /nfs/dbraw/zinc/50/60/26/1091506026.db2.gz YPMVRRNBQUXOPN-ZHBQJWOISA-N 1 3 336.307 2.474 10 0 EEAEHO CN(CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)Cc1ccc2c(c1)CCC2 ZINC001438931993 1091614380 /nfs/dbraw/zinc/61/43/80/1091614380.db2.gz LMICDCVYBPJAOM-GOSISDBHSA-N 1 3 343.515 2.407 10 0 EEAEHO CN(CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)Cc1ccc2c(c1)CCC2 ZINC001438931993 1091614385 /nfs/dbraw/zinc/61/43/85/1091614385.db2.gz LMICDCVYBPJAOM-GOSISDBHSA-N 1 3 343.515 2.407 10 0 EEAEHO O=C(NCC1(NCc2ccsc2)CC1)C12CCC[NH+](CCC1)C2 ZINC001439622312 1092532124 /nfs/dbraw/zinc/53/21/24/1092532124.db2.gz AGLGFVVWADGMAA-UHFFFAOYSA-N 1 3 333.501 2.363 10 0 EEAEHO Cc1cncc(CN2CCC[C@]3(CCN(C(=O)CC[NH+](C)C)C3)C2)c1 ZINC001446330596 1092533163 /nfs/dbraw/zinc/53/31/63/1092533163.db2.gz KHWDGLMTLPPVOY-FQEVSTJZSA-N 1 3 344.503 2.156 10 0 EEAEHO Cc1cc(CN2CC[C@](C)(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001439864250 1092895773 /nfs/dbraw/zinc/89/57/73/1092895773.db2.gz GQVGTKUTAIJLHE-QAPCUYQASA-N 1 3 335.517 2.479 10 0 EEAEHO Cc1cc(CN2CC[C@](C)(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cs1 ZINC001439864250 1092895779 /nfs/dbraw/zinc/89/57/79/1092895779.db2.gz GQVGTKUTAIJLHE-QAPCUYQASA-N 1 3 335.517 2.479 10 0 EEAEHO COC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)N2CCCC2)C1 ZINC001440480184 1093710891 /nfs/dbraw/zinc/71/08/91/1093710891.db2.gz YXBAGZVRJKSCTI-SJORKVTESA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCc1cncs1 ZINC001448698373 1093761944 /nfs/dbraw/zinc/76/19/44/1093761944.db2.gz MUAVTQOUKUJNIQ-ZBFHGGJFSA-N 1 3 338.521 2.200 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCc1cncs1 ZINC001448698373 1093761949 /nfs/dbraw/zinc/76/19/49/1093761949.db2.gz MUAVTQOUKUJNIQ-ZBFHGGJFSA-N 1 3 338.521 2.200 10 0 EEAEHO Cc1ccncc1CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001448710030 1093778951 /nfs/dbraw/zinc/77/89/51/1093778951.db2.gz NBQKKYGYEVKCRS-ULQDDVLXSA-N 1 3 332.492 2.057 10 0 EEAEHO Cc1ccncc1CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001448710030 1093778960 /nfs/dbraw/zinc/77/89/60/1093778960.db2.gz NBQKKYGYEVKCRS-ULQDDVLXSA-N 1 3 332.492 2.057 10 0 EEAEHO CCC1(NCc2nccs2)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001440533416 1093794608 /nfs/dbraw/zinc/79/46/08/1093794608.db2.gz SRLQFHCJRXAOAF-UHFFFAOYSA-N 1 3 338.521 2.346 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001448774575 1093853125 /nfs/dbraw/zinc/85/31/25/1093853125.db2.gz KAPCMLWBLXQNRC-INIZCTEOSA-N 1 3 334.508 2.029 10 0 EEAEHO Cc1ccncc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001440818551 1094071588 /nfs/dbraw/zinc/07/15/88/1094071588.db2.gz IHAULMBXCHBFTO-HZPDHXFCSA-N 1 3 332.492 2.247 10 0 EEAEHO C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCN(Cc2cccnc2)CC1 ZINC001449351057 1094310363 /nfs/dbraw/zinc/31/03/63/1094310363.db2.gz HQWOGIGAXOUHOZ-SJORKVTESA-N 1 3 344.503 2.140 10 0 EEAEHO C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCN(Cc2cccnc2)CC1 ZINC001449351057 1094310372 /nfs/dbraw/zinc/31/03/72/1094310372.db2.gz HQWOGIGAXOUHOZ-SJORKVTESA-N 1 3 344.503 2.140 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@@H](C)C1CCN(CCC(F)(F)F)CC1 ZINC001449366809 1094332878 /nfs/dbraw/zinc/33/28/78/1094332878.db2.gz LZRLAODDKZQGQO-ZDUSSCGKSA-N 1 3 337.430 2.497 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CCN(CCC(F)(F)F)CC1 ZINC001449366809 1094332882 /nfs/dbraw/zinc/33/28/82/1094332882.db2.gz LZRLAODDKZQGQO-ZDUSSCGKSA-N 1 3 337.430 2.497 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H](C)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001449375681 1094346342 /nfs/dbraw/zinc/34/63/42/1094346342.db2.gz TZVNJAQUQLMGIP-FUHWJXTLSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@H](F)CN1CCC(C2(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001449409251 1094391241 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348.491 2.054 10 0 EEAEHO CCN(CCN[C@@H](C)c1ccc(F)c(F)c1)C(=O)CC[NH+](C)C ZINC001497447376 1102503771 /nfs/dbraw/zinc/50/37/71/1102503771.db2.gz LCQFJYSJNUUIPA-ZDUSSCGKSA-N 1 3 327.419 2.416 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001497549694 1102654314 /nfs/dbraw/zinc/65/43/14/1102654314.db2.gz UKXZJHIIDUJUKG-SWVJOTTGSA-N 1 3 329.435 2.168 10 0 EEAEHO O=C(NC/C=C/CNCc1cccc(Cl)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC001497578090 1102692063 /nfs/dbraw/zinc/69/20/63/1102692063.db2.gz GJSXOAZNDGTIQV-ZMXQLYDGSA-N 1 3 347.890 2.444 10 0 EEAEHO CC[C@H](F)CNC/C=C\CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001497683683 1102897450 /nfs/dbraw/zinc/89/74/50/1102897450.db2.gz RMOMNAKGRDOSMF-LNMLPRMJSA-N 1 3 347.478 2.342 10 0 EEAEHO CC[C@H](F)CNC/C=C\CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001497683683 1102897458 /nfs/dbraw/zinc/89/74/58/1102897458.db2.gz RMOMNAKGRDOSMF-LNMLPRMJSA-N 1 3 347.478 2.342 10 0 EEAEHO O=C(NC/C=C\CNCc1ccc(CF)cc1)C12CC[NH+](CC1)C2 ZINC001497727576 1102975998 /nfs/dbraw/zinc/97/59/98/1102975998.db2.gz OGXRIHPVIPSUDN-UPHRSURJSA-N 1 3 331.435 2.014 10 0 EEAEHO Cc1cc(CN(CCCNC(=O)[C@H]2CC[N@H+](C)C2)C(C)C)sn1 ZINC001493877115 1103013607 /nfs/dbraw/zinc/01/36/07/1103013607.db2.gz NGFKGGBDPDRHPR-HNNXBMFYSA-N 1 3 338.521 2.120 10 0 EEAEHO Cc1cc(CN(CCCNC(=O)[C@H]2CC[N@@H+](C)C2)C(C)C)sn1 ZINC001493877115 1103013626 /nfs/dbraw/zinc/01/36/26/1103013626.db2.gz NGFKGGBDPDRHPR-HNNXBMFYSA-N 1 3 338.521 2.120 10 0 EEAEHO COCCN[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001493898897 1103077585 /nfs/dbraw/zinc/07/75/85/1103077585.db2.gz MEQQCNYRUHYFDD-PKOBYXMFSA-N 1 3 347.503 2.344 10 0 EEAEHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)Cc1ccc2ncccc2c1 ZINC001448143128 1104099210 /nfs/dbraw/zinc/09/92/10/1104099210.db2.gz CQQLQUXWPVJTNA-QAPCUYQASA-N 1 3 340.471 2.123 10 0 EEAEHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)Cc1ccc2ncccc2c1 ZINC001448143128 1104099224 /nfs/dbraw/zinc/09/92/24/1104099224.db2.gz CQQLQUXWPVJTNA-QAPCUYQASA-N 1 3 340.471 2.123 10 0 EEAEHO C[C@@H](C[NH2+]Cc1ccc2ncccc2c1)NC(=O)CN1CC[C@H](C)C1 ZINC001498118594 1106945455 /nfs/dbraw/zinc/94/54/55/1106945455.db2.gz SUCROEOWXSUUGE-HOTGVXAUSA-N 1 3 340.471 2.171 10 0 EEAEHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001498987510 1108419438 /nfs/dbraw/zinc/41/94/38/1108419438.db2.gz XSMDUFMZOJMQON-DLBZAZTESA-N 1 3 339.499 2.437 10 0 EEAEHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001498987510 1108419440 /nfs/dbraw/zinc/41/94/40/1108419440.db2.gz XSMDUFMZOJMQON-DLBZAZTESA-N 1 3 339.499 2.437 10 0 EEAEHO CS[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(C)(C)C ZINC001478421447 1110654405 /nfs/dbraw/zinc/65/44/05/1110654405.db2.gz AWPLNSGPRINUQI-GJZGRUSLSA-N 1 3 346.585 2.335 10 0 EEAEHO CS[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(C)(C)C ZINC001478421447 1110654406 /nfs/dbraw/zinc/65/44/06/1110654406.db2.gz AWPLNSGPRINUQI-GJZGRUSLSA-N 1 3 346.585 2.335 10 0 EEAEHO CCC(CC)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCC2)CCO1 ZINC001502068696 1113576561 /nfs/dbraw/zinc/57/65/61/1113576561.db2.gz IGYALQHQNZTQCI-KRWDZBQOSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@H](C(=O)N1CCC(C)([NH2+]CCOCC2CCC2)CC1)N(C)C ZINC001502805500 1113805896 /nfs/dbraw/zinc/80/58/96/1113805896.db2.gz IYQBRXHRUNNKIE-QGZVFWFLSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H](F)CC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001505410434 1113944956 /nfs/dbraw/zinc/94/49/56/1113944956.db2.gz PADSMZHGXMYOBQ-IRXDYDNUSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[N@H+](C)CC1CCC1 ZINC001506001787 1114334394 /nfs/dbraw/zinc/33/43/94/1114334394.db2.gz IGMYEBYKUQUDHF-KBXCAEBGSA-N 1 3 327.488 2.436 10 0 EEAEHO C[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[N@@H+](C)CC1CCC1 ZINC001506001787 1114334397 /nfs/dbraw/zinc/33/43/97/1114334397.db2.gz IGMYEBYKUQUDHF-KBXCAEBGSA-N 1 3 327.488 2.436 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2CN(CC=C(Cl)Cl)C[C@H]2C1 ZINC001506851212 1114914207 /nfs/dbraw/zinc/91/42/07/1114914207.db2.gz CRQMOLFWAGOBPD-MGPQQGTHSA-N 1 3 348.318 2.474 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCCOc2ccccc2)[C@H]1C ZINC001507299295 1115180470 /nfs/dbraw/zinc/18/04/70/1115180470.db2.gz UURSQFBCUVAXAO-MJGOQNOKSA-N 1 3 347.503 2.375 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC/C=C/C[NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001568919832 1124947469 /nfs/dbraw/zinc/94/74/69/1124947469.db2.gz JQNBEMDDNPAGAL-YATRRXNKSA-N 1 3 341.499 2.279 10 0 EEAEHO CCc1ccc(CC[NH2+]C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001569081669 1125087322 /nfs/dbraw/zinc/08/73/22/1125087322.db2.gz WBOMTCPCWIJDQF-SJORKVTESA-N 1 3 331.504 2.228 10 0 EEAEHO CN(CCC[NH2+][C@@H]1CCc2c1cccc2F)C(=O)[C@@H]1CCCN1C ZINC001569188477 1125153292 /nfs/dbraw/zinc/15/32/92/1125153292.db2.gz IWWXLWWHOSHIGG-MSOLQXFVSA-N 1 3 333.451 2.345 10 0 EEAEHO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](N3CC=CC3)C2)[C@H]1c1ccccc1 ZINC000248134450 283124314 /nfs/dbraw/zinc/12/43/14/283124314.db2.gz XDLOQVMYUVJJNO-GBESFXJTSA-N 1 3 340.471 2.088 10 0 EEAEHO C[N@H+]1CC[C@H](NC(=O)N2CC[C@H](N3CC=CC3)C2)[C@H]1c1ccccc1 ZINC000248134450 283124318 /nfs/dbraw/zinc/12/43/18/283124318.db2.gz XDLOQVMYUVJJNO-GBESFXJTSA-N 1 3 340.471 2.088 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)[C@H]1c1ccccc1 ZINC000248134450 283124321 /nfs/dbraw/zinc/12/43/21/283124321.db2.gz XDLOQVMYUVJJNO-GBESFXJTSA-N 1 3 340.471 2.088 10 0 EEAEHO COc1cccc(N2CCC[C@H](N[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])C2)c1 ZINC000422771761 240218360 /nfs/dbraw/zinc/21/83/60/240218360.db2.gz YNTJLBIAZNBEHZ-WTLGNFPFSA-N 1 3 333.476 2.006 10 0 EEAEHO COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)N)C2)c1 ZINC000422771761 240218368 /nfs/dbraw/zinc/21/83/68/240218368.db2.gz YNTJLBIAZNBEHZ-WTLGNFPFSA-N 1 3 333.476 2.006 10 0 EEAEHO CS[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1N(C)C ZINC000426995008 241363635 /nfs/dbraw/zinc/36/36/35/241363635.db2.gz LVRAJCZMSCDGQI-GJZGRUSLSA-N 1 3 327.538 2.003 10 0 EEAEHO CNC(=O)C(C)(C)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000230136323 242237844 /nfs/dbraw/zinc/23/78/44/242237844.db2.gz GMKIHDQVUOEMGF-KZNAEPCWSA-N 1 3 329.488 2.259 10 0 EEAEHO C[C@@H]1CC[C@](CO)(N(C)CCC[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)C1 ZINC000495196957 247085488 /nfs/dbraw/zinc/08/54/88/247085488.db2.gz SWCWSNFQYJTANL-YRXWBPOGSA-N 1 3 326.525 2.342 10 0 EEAEHO C[C@@H]1CC[C@](CO)(N(C)CCC[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)C1 ZINC000495196957 247085493 /nfs/dbraw/zinc/08/54/93/247085493.db2.gz SWCWSNFQYJTANL-YRXWBPOGSA-N 1 3 326.525 2.342 10 0 EEAEHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000343441080 161136170 /nfs/dbraw/zinc/13/61/70/161136170.db2.gz IPMKVJVCVWKCKK-RDTXWAMCSA-N 1 3 335.467 2.437 10 0 EEAEHO CCCN(C)CC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000352359580 162104386 /nfs/dbraw/zinc/10/43/86/162104386.db2.gz IABGYASKAVAVPQ-UHFFFAOYSA-N 1 3 335.414 2.250 10 0 EEAEHO CCC[NH+]1CCC(CNC(=O)N[C@@H](CC(C)C)CN(C)C)CC1 ZINC000157766027 292572812 /nfs/dbraw/zinc/57/28/12/292572812.db2.gz YQRLBBLMXVMGAT-KRWDZBQOSA-N 1 3 326.529 2.384 10 0 EEAEHO CN(C)CC[N@H+](C)CCCN(C)Cc1c[nH]c(-c2ccccc2)n1 ZINC000290167606 275185978 /nfs/dbraw/zinc/18/59/78/275185978.db2.gz MNNVIDLXNKNFMM-UHFFFAOYSA-N 1 3 329.492 2.392 10 0 EEAEHO CN(C)CC[N@@H+](C)CCCN(C)Cc1c[nH]c(-c2ccccc2)n1 ZINC000290167606 275185979 /nfs/dbraw/zinc/18/59/79/275185979.db2.gz MNNVIDLXNKNFMM-UHFFFAOYSA-N 1 3 329.492 2.392 10 0 EEAEHO C[N@@H+]1CC[C@]2(CCN(C[C@@H]3CCN(C(=O)c4ccccc4)C3)C2)C1 ZINC000292075507 275372329 /nfs/dbraw/zinc/37/23/29/275372329.db2.gz FCZURGVIMMDXNF-PXNSSMCTSA-N 1 3 327.472 2.176 10 0 EEAEHO C[N@H+]1CC[C@]2(CCN(C[C@@H]3CCN(C(=O)c4ccccc4)C3)C2)C1 ZINC000292075507 275372330 /nfs/dbraw/zinc/37/23/30/275372330.db2.gz FCZURGVIMMDXNF-PXNSSMCTSA-N 1 3 327.472 2.176 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@]2(OC)CCOC2)CC1 ZINC000359656409 278825622 /nfs/dbraw/zinc/82/56/22/278825622.db2.gz XIRKOIBEZRUFTP-FQEVSTJZSA-N 1 3 347.503 2.114 10 0 EEAEHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417016357 313396265 /nfs/dbraw/zinc/39/62/65/313396265.db2.gz GASSBDOMHNYCSR-MOPGFXCFSA-N 1 3 342.487 2.359 10 0 EEAEHO Cc1ccc(CC[C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)o1 ZINC000525306578 317055470 /nfs/dbraw/zinc/05/54/70/317055470.db2.gz FPEBVKPUONGUKI-HNNXBMFYSA-N 1 3 338.496 2.044 10 0 EEAEHO CC[NH+](CC)CC1CCN(C(=O)CCN(C)c2ccncc2)CC1 ZINC000542787313 318139989 /nfs/dbraw/zinc/13/99/89/318139989.db2.gz AZHFYYPTDCPRFR-UHFFFAOYSA-N 1 3 332.492 2.488 10 0 EEAEHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N[C@@H]1CNCCC1(F)F ZINC000563593441 319027249 /nfs/dbraw/zinc/02/72/49/319027249.db2.gz VIVWKKFFVGTWSV-HUUCEWRRSA-N 1 3 344.450 2.080 10 0 EEAEHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N[C@@H]1CNCCC1(F)F ZINC000563593441 319027251 /nfs/dbraw/zinc/02/72/51/319027251.db2.gz VIVWKKFFVGTWSV-HUUCEWRRSA-N 1 3 344.450 2.080 10 0 EEAEHO CS[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1N1CCCC1 ZINC000356030618 465287364 /nfs/dbraw/zinc/28/73/64/465287364.db2.gz SWBFSDSRXVZMKV-IXDOHACOSA-N 1 3 339.549 2.289 10 0 EEAEHO CS[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@H+]2C)C[C@@H]1N1CCCC1 ZINC000356030618 465287371 /nfs/dbraw/zinc/28/73/71/465287371.db2.gz SWBFSDSRXVZMKV-IXDOHACOSA-N 1 3 339.549 2.289 10 0 EEAEHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000342344178 465311781 /nfs/dbraw/zinc/31/17/81/465311781.db2.gz HHGVCDRWIZQMSQ-KBAYOESNSA-N 1 3 334.508 2.129 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000568212718 468298333 /nfs/dbraw/zinc/29/83/33/468298333.db2.gz HUWAONUGIUTQMC-HOCLYGCPSA-N 1 3 337.895 2.443 10 0 EEAEHO CN(C)CCN(Cc1ccco1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088597860 462637325 /nfs/dbraw/zinc/63/73/25/462637325.db2.gz BRLJFYRMQOTGDN-ALOPSCKCSA-N 1 3 348.491 2.368 10 0 EEAEHO CN(C)CCN(Cc1ccco1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088597860 462637329 /nfs/dbraw/zinc/63/73/29/462637329.db2.gz BRLJFYRMQOTGDN-ALOPSCKCSA-N 1 3 348.491 2.368 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000155292214 462871821 /nfs/dbraw/zinc/87/18/21/462871821.db2.gz HDNSBJHPHSNAFQ-AZUAARDMSA-N 1 3 344.503 2.435 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000155292214 462871824 /nfs/dbraw/zinc/87/18/24/462871824.db2.gz HDNSBJHPHSNAFQ-AZUAARDMSA-N 1 3 344.503 2.435 10 0 EEAEHO CCc1cccc2c(CC(=O)N(CCN(C)C)CC[NH+](C)C)c[nH]c21 ZINC000109282297 463637633 /nfs/dbraw/zinc/63/76/33/463637633.db2.gz FIIIKGUZCCIOBN-UHFFFAOYSA-N 1 3 344.503 2.225 10 0 EEAEHO CN(CCC[NH+](C)C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000185240393 463785717 /nfs/dbraw/zinc/78/57/17/463785717.db2.gz WPGLGRKPMXDFPB-HNNXBMFYSA-N 1 3 338.521 2.478 10 0 EEAEHO COCCCN(C)CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000268928333 463813855 /nfs/dbraw/zinc/81/38/55/463813855.db2.gz WRHFUYUIZFAJKJ-ICSRJNTNSA-N 1 3 333.520 2.455 10 0 EEAEHO CC(C)(C)[C@@H](O)C[C@H](CO)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000284353850 464161238 /nfs/dbraw/zinc/16/12/38/464161238.db2.gz MNMJAPWFAMYMKB-UXHICEINSA-N 1 3 348.531 2.441 10 0 EEAEHO COc1ccc([C@@H]2[C@H](CNC(=O)[C@@H]3CCC[C@@H]3[NH3+])CCCN2C)cc1 ZINC000237305191 464300960 /nfs/dbraw/zinc/30/09/60/464300960.db2.gz WFOMZQSMSVUEGU-WZGPROSRSA-N 1 3 345.487 2.322 10 0 EEAEHO CC[N@H+](CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)C1CC1 ZINC000245662986 464503264 /nfs/dbraw/zinc/50/32/64/464503264.db2.gz QDOPDSDUFQQALK-MSOLQXFVSA-N 1 3 330.476 2.215 10 0 EEAEHO CC[N@@H+](CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)C1CC1 ZINC000245662986 464503267 /nfs/dbraw/zinc/50/32/67/464503267.db2.gz QDOPDSDUFQQALK-MSOLQXFVSA-N 1 3 330.476 2.215 10 0 EEAEHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCN(C)Cc1ccccc1 ZINC000246430687 464582969 /nfs/dbraw/zinc/58/29/69/464582969.db2.gz SZECAHBKLJRMJP-OALUTQOASA-N 1 3 344.503 2.387 10 0 EEAEHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCN(C)Cc1ccccc1 ZINC000246430687 464582974 /nfs/dbraw/zinc/58/29/74/464582974.db2.gz SZECAHBKLJRMJP-OALUTQOASA-N 1 3 344.503 2.387 10 0 EEAEHO c1nc(CNCCCCN2CCN(Cc3ccccc3)CC2)co1 ZINC000192288532 464899452 /nfs/dbraw/zinc/89/94/52/464899452.db2.gz IEYLMLUPKYXKDS-UHFFFAOYSA-N 1 3 328.460 2.362 10 0 EEAEHO c1nc(CNCCCC[NH+]2CCN(Cc3ccccc3)CC2)co1 ZINC000192288532 464899459 /nfs/dbraw/zinc/89/94/59/464899459.db2.gz IEYLMLUPKYXKDS-UHFFFAOYSA-N 1 3 328.460 2.362 10 0 EEAEHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000337383281 465338945 /nfs/dbraw/zinc/33/89/45/465338945.db2.gz VQJSEXYVBWRMMM-HKUYNNGSSA-N 1 3 346.519 2.333 10 0 EEAEHO C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000337383281 465338946 /nfs/dbraw/zinc/33/89/46/465338946.db2.gz VQJSEXYVBWRMMM-HKUYNNGSSA-N 1 3 346.519 2.333 10 0 EEAEHO OC[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)c1cccnc1 ZINC000348706800 465749156 /nfs/dbraw/zinc/74/91/56/465749156.db2.gz VBPZPGHTNCEHCV-HXUWFJFHSA-N 1 3 339.483 2.454 10 0 EEAEHO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)N2CCOCC2)o1 ZINC000353464931 465905261 /nfs/dbraw/zinc/90/52/61/465905261.db2.gz WCLUAJXHTYKJTB-MKXGPGLRSA-N 1 3 347.503 2.424 10 0 EEAEHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cc(-n2ccnc2)cs1 ZINC000349071276 465949401 /nfs/dbraw/zinc/94/94/01/465949401.db2.gz FMUIMEMPLQRSCJ-UHFFFAOYSA-N 1 3 347.532 2.392 10 0 EEAEHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cc(-n2ccnc2)cs1 ZINC000349071276 465949411 /nfs/dbraw/zinc/94/94/11/465949411.db2.gz FMUIMEMPLQRSCJ-UHFFFAOYSA-N 1 3 347.532 2.392 10 0 EEAEHO C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000353637361 466029271 /nfs/dbraw/zinc/02/92/71/466029271.db2.gz KXZYLTVRDNNCQP-IJEWVQPXSA-N 1 3 338.521 2.380 10 0 EEAEHO CCOC(=O)c1cccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000600165214 468481689 /nfs/dbraw/zinc/48/16/89/468481689.db2.gz IJYVZEPAMSMJCF-MRXNPFEDSA-N 1 3 331.460 2.422 10 0 EEAEHO C[C@@H](C[NH+]1CCCCC1)NC(=O)CCN1CCc2ccccc2C1 ZINC000354186403 466356428 /nfs/dbraw/zinc/35/64/28/466356428.db2.gz FYMVSKYJALKJII-KRWDZBQOSA-N 1 3 329.488 2.425 10 0 EEAEHO C[N@H+](CCCn1ccnc1)[C@H]1CCCN(CCCn2ccnc2)CC1 ZINC000361990167 466464799 /nfs/dbraw/zinc/46/47/99/466464799.db2.gz IKMOFNZBQDWIIG-IBGZPJMESA-N 1 3 344.507 2.346 10 0 EEAEHO C[N@@H+](CCCn1ccnc1)[C@H]1CCCN(CCCn2ccnc2)CC1 ZINC000361990167 466464805 /nfs/dbraw/zinc/46/48/05/466464805.db2.gz IKMOFNZBQDWIIG-IBGZPJMESA-N 1 3 344.507 2.346 10 0 EEAEHO CCCN1CCC([N@H+](C)CCc2nnnn2-c2ccccc2)CC1 ZINC000362187398 466611735 /nfs/dbraw/zinc/61/17/35/466611735.db2.gz PUDIYGOHBWFWPQ-UHFFFAOYSA-N 1 3 328.464 2.011 10 0 EEAEHO CCCN1CCC([N@@H+](C)CCc2nnnn2-c2ccccc2)CC1 ZINC000362187398 466611743 /nfs/dbraw/zinc/61/17/43/466611743.db2.gz PUDIYGOHBWFWPQ-UHFFFAOYSA-N 1 3 328.464 2.011 10 0 EEAEHO C[C@@H](CNC(=O)N(CC[NH3+])CCc1ccccc1)N1CCC[C@@H](C)C1 ZINC000417027393 466758811 /nfs/dbraw/zinc/75/88/11/466758811.db2.gz ZSHZMUNLLQDJHF-MSOLQXFVSA-N 1 3 346.519 2.320 10 0 EEAEHO CC[NH2+][C@H](C)CNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417742148 466921641 /nfs/dbraw/zinc/92/16/41/466921641.db2.gz VTECXIUOWRDLCW-FMKPAKJESA-N 1 3 338.521 2.428 10 0 EEAEHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000417841972 466952717 /nfs/dbraw/zinc/95/27/17/466952717.db2.gz MJIIMTWZJRIZRU-HNNXBMFYSA-N 1 3 346.466 2.041 10 0 EEAEHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418031204 467028166 /nfs/dbraw/zinc/02/81/66/467028166.db2.gz KSBCESOFUGMNHO-NEWSRXKRSA-N 1 3 346.519 2.440 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCN3CCC2CC3)C1 ZINC000377104661 467029466 /nfs/dbraw/zinc/02/94/66/467029466.db2.gz KSDXXIWPZWHFQR-IYBDPMFKSA-N 1 3 336.524 2.233 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCN3CCC2CC3)C1 ZINC000377104661 467029474 /nfs/dbraw/zinc/02/94/74/467029474.db2.gz KSDXXIWPZWHFQR-IYBDPMFKSA-N 1 3 336.524 2.233 10 0 EEAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N(C)C ZINC000418160665 467062433 /nfs/dbraw/zinc/06/24/33/467062433.db2.gz BJWUWVFLNOGTKT-ISARSNTHSA-N 1 3 344.503 2.380 10 0 EEAEHO C[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@@H](c1ccccc1)N(C)C ZINC000418182320 467068357 /nfs/dbraw/zinc/06/83/57/467068357.db2.gz MKSYTBQQEXUPMB-DKIMLUQUSA-N 1 3 330.476 2.071 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCC[C@H](F)C3)CC2)CC1 ZINC000424620929 467077487 /nfs/dbraw/zinc/07/74/87/467077487.db2.gz ADETVCMYIMHFLU-GJZGRUSLSA-N 1 3 325.472 2.190 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000418615136 467136273 /nfs/dbraw/zinc/13/62/73/467136273.db2.gz GTOXFSDZNLMTAD-KBAYOESNSA-N 1 3 330.476 2.043 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418614653 467136289 /nfs/dbraw/zinc/13/62/89/467136289.db2.gz JJNTVUPZHPICQF-QRQLOZEOSA-N 1 3 344.503 2.290 10 0 EEAEHO CC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000414302293 467399949 /nfs/dbraw/zinc/39/99/49/467399949.db2.gz KMBGSGGXFQDRKT-IBGZPJMESA-N 1 3 342.487 2.488 10 0 EEAEHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000414690244 467429346 /nfs/dbraw/zinc/42/93/46/467429346.db2.gz HLYSPYIRNIBPLJ-ZBFHGGJFSA-N 1 3 335.879 2.327 10 0 EEAEHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000414690244 467429347 /nfs/dbraw/zinc/42/93/47/467429347.db2.gz HLYSPYIRNIBPLJ-ZBFHGGJFSA-N 1 3 335.879 2.327 10 0 EEAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@]2(C)CCC(=O)N2)CC1 ZINC000453424193 467488279 /nfs/dbraw/zinc/48/82/79/467488279.db2.gz NMIRGBDGVMPWEI-JXFKEZNVSA-N 1 3 329.488 2.340 10 0 EEAEHO Cc1n[nH]c(CC[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)n1 ZINC000449232832 467624600 /nfs/dbraw/zinc/62/46/00/467624600.db2.gz WIBGBFJGUXONLK-OAHLLOKOSA-N 1 3 327.476 2.341 10 0 EEAEHO CC(C)[C@@H]1CNCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000529320155 467845601 /nfs/dbraw/zinc/84/56/01/467845601.db2.gz KTGQLLJFALZWDI-SQNIBIBYSA-N 1 3 330.476 2.071 10 0 EEAEHO CC(C)[C@@H]1CNCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000529320155 467845604 /nfs/dbraw/zinc/84/56/04/467845604.db2.gz KTGQLLJFALZWDI-SQNIBIBYSA-N 1 3 330.476 2.071 10 0 EEAEHO CCOC(=O)C1([C@@H](C)NCc2cccc(C)c2OC)CC[NH2+]CC1 ZINC000594585145 468627906 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332.488 2.274 10 0 EEAEHO CO[C@](C)(CO)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000655785664 471481869 /nfs/dbraw/zinc/48/18/69/471481869.db2.gz MUZBZTGNRGPQHX-HAGHYFMRSA-N 1 3 332.488 2.274 10 0 EEAEHO C[N@H+](CCCCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C1CC1 ZINC000659045091 471486853 /nfs/dbraw/zinc/48/68/53/471486853.db2.gz UMZRRURBGWCGGG-SFHVURJKSA-N 1 3 346.475 2.343 10 0 EEAEHO C[N@@H+](CCCCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C1CC1 ZINC000659045091 471486860 /nfs/dbraw/zinc/48/68/60/471486860.db2.gz UMZRRURBGWCGGG-SFHVURJKSA-N 1 3 346.475 2.343 10 0 EEAEHO C[NH2+]Cc1ccccc1CNC(=O)c1ccccc1OCCN(C)C ZINC000653214078 471538637 /nfs/dbraw/zinc/53/86/37/471538637.db2.gz FZVJPWJLAUNRBQ-UHFFFAOYSA-N 1 3 341.455 2.276 10 0 EEAEHO CC[C@@](C)(NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000663876379 471559814 /nfs/dbraw/zinc/55/98/14/471559814.db2.gz FHMOUIHJOJMGHJ-LJQANCHMSA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1CCC(F)CC1 ZINC000666934825 471594528 /nfs/dbraw/zinc/59/45/28/471594528.db2.gz QUDXRKNNBFWMER-FHERZECASA-N 1 3 330.492 2.038 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000664314137 471715007 /nfs/dbraw/zinc/71/50/07/471715007.db2.gz HFGQEJBWPXJGAY-HNNXBMFYSA-N 1 3 347.507 2.072 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000664314137 471715010 /nfs/dbraw/zinc/71/50/10/471715010.db2.gz HFGQEJBWPXJGAY-HNNXBMFYSA-N 1 3 347.507 2.072 10 0 EEAEHO COc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1F ZINC000665597931 472105598 /nfs/dbraw/zinc/10/55/98/472105598.db2.gz UHGSAYDQLYXNNA-ZDUSSCGKSA-N 1 3 340.443 2.228 10 0 EEAEHO COc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1F ZINC000665597931 472105601 /nfs/dbraw/zinc/10/56/01/472105601.db2.gz UHGSAYDQLYXNNA-ZDUSSCGKSA-N 1 3 340.443 2.228 10 0 EEAEHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1CCC(F)CC1 ZINC000665763549 472176850 /nfs/dbraw/zinc/17/68/50/472176850.db2.gz FFBZAOVCDKLURJ-NJINODPHSA-N 1 3 344.519 2.474 10 0 EEAEHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1CCC(F)CC1 ZINC000665763549 472176858 /nfs/dbraw/zinc/17/68/58/472176858.db2.gz FFBZAOVCDKLURJ-NJINODPHSA-N 1 3 344.519 2.474 10 0 EEAEHO CC(C)([NH3+])c1cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)on1 ZINC000662737575 472228981 /nfs/dbraw/zinc/22/89/81/472228981.db2.gz OOCGOTKQOBHSMQ-HNNXBMFYSA-N 1 3 342.443 2.263 10 0 EEAEHO CN(C)CCN(C(=O)c1cc(C2CC[NH2+]CC2)no1)C1CCCC1 ZINC000662786432 472250032 /nfs/dbraw/zinc/25/00/32/472250032.db2.gz TZNRJCXFAPBGAM-UHFFFAOYSA-N 1 3 334.464 2.088 10 0 EEAEHO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCCN(C)C1 ZINC000673771708 485527742 /nfs/dbraw/zinc/52/77/42/485527742.db2.gz LWMIMILLVWZPEB-IEBWSBKVSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCCN(C)C1 ZINC000673771708 485527747 /nfs/dbraw/zinc/52/77/47/485527747.db2.gz LWMIMILLVWZPEB-IEBWSBKVSA-N 1 3 344.503 2.387 10 0 EEAEHO CC[NH+]1CCC(N[C@]2(CO)CCCN(Cc3ccccc3)C2)CC1 ZINC000679045161 485573345 /nfs/dbraw/zinc/57/33/45/485573345.db2.gz SXIVDGJKWADZBX-HXUWFJFHSA-N 1 3 331.504 2.087 10 0 EEAEHO CO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000684378065 485864669 /nfs/dbraw/zinc/86/46/69/485864669.db2.gz WWUINXWJTJUJRP-QZTJIDSGSA-N 1 3 333.476 2.025 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CCCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000672754343 486186762 /nfs/dbraw/zinc/18/67/62/486186762.db2.gz FBTDQUJHQKRFHK-KBAYOESNSA-N 1 3 330.476 2.043 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CCCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000672754343 486186768 /nfs/dbraw/zinc/18/67/68/486186768.db2.gz FBTDQUJHQKRFHK-KBAYOESNSA-N 1 3 330.476 2.043 10 0 EEAEHO CC(=O)c1ccccc1OCCN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000171631329 527402286 /nfs/dbraw/zinc/40/22/86/527402286.db2.gz CHMMUCTVHDKNQJ-INIZCTEOSA-N 1 3 348.487 2.293 10 0 EEAEHO CN1CC[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)[C@H]1c1ccccc1 ZINC000758263202 577620423 /nfs/dbraw/zinc/62/04/23/577620423.db2.gz UJTXQJVOFAXGOZ-IAGOWNOFSA-N 1 3 348.560 2.484 10 0 EEAEHO Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001266515308 1176710056 /nfs/dbraw/zinc/71/00/56/1176710056.db2.gz UDJVNWVQYRGCNP-RBUKOAKNSA-N 1 3 329.488 2.212 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCOc2ccccc2)C1)N(C)C ZINC001266793211 1177436779 /nfs/dbraw/zinc/43/67/79/1177436779.db2.gz JBFXBAQFRYSNEH-PKOBYXMFSA-N 1 3 347.503 2.234 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]CC/C=C\c2ccccc2)C1 ZINC001267059416 1178169782 /nfs/dbraw/zinc/16/97/82/1178169782.db2.gz WPYDHTOQCPDTGC-MPYGFJLXSA-N 1 3 338.455 2.494 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCc1ccc(CC[NH2+]CC2CC2)cc1 ZINC001267098753 1178237057 /nfs/dbraw/zinc/23/70/57/1178237057.db2.gz VUZNBWVIXPVIFR-UHFFFAOYSA-N 1 3 326.444 2.119 10 0 EEAEHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1conc1C)N(C)C ZINC001267169761 1178390981 /nfs/dbraw/zinc/39/09/81/1178390981.db2.gz WQEKTEXSCZWVQF-IAGOWNOFSA-N 1 3 336.480 2.184 10 0 EEAEHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1conc1C)N(C)C ZINC001267169761 1178390991 /nfs/dbraw/zinc/39/09/91/1178390991.db2.gz WQEKTEXSCZWVQF-IAGOWNOFSA-N 1 3 336.480 2.184 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCN2CCOC(C)C)C1 ZINC001481052159 1179633751 /nfs/dbraw/zinc/63/37/51/1179633751.db2.gz KKQWXXKXLGCJSF-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCN2CCOC(C)C)C1 ZINC001481052159 1179633756 /nfs/dbraw/zinc/63/37/56/1179633756.db2.gz KKQWXXKXLGCJSF-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CN(CC(=O)N[C@@](C)(C[NH2+]CCC(F)(F)F)C1CC1)C1CCC1 ZINC001267856117 1180640498 /nfs/dbraw/zinc/64/04/98/1180640498.db2.gz KBXCOOHYQIKLCF-HNNXBMFYSA-N 1 3 335.414 2.298 10 0 EEAEHO Cc1cccnc1C[N@@H+](CCCNC(=O)[C@H]1CCCN1C)C(C)C ZINC001481347374 1181082239 /nfs/dbraw/zinc/08/22/39/1181082239.db2.gz JMPQTDAVHHQYGJ-GOSISDBHSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1cccnc1C[N@H+](CCCNC(=O)[C@H]1CCCN1C)C(C)C ZINC001481347374 1181082242 /nfs/dbraw/zinc/08/22/42/1181082242.db2.gz JMPQTDAVHHQYGJ-GOSISDBHSA-N 1 3 332.492 2.201 10 0 EEAEHO CC[C@@H](F)C[N@H+](C)C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001481499146 1181571060 /nfs/dbraw/zinc/57/10/60/1181571060.db2.gz UWHHJNXCVRNNEU-HZPDHXFCSA-N 1 3 329.504 2.493 10 0 EEAEHO CC[C@@H](F)C[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001481499146 1181571064 /nfs/dbraw/zinc/57/10/64/1181571064.db2.gz UWHHJNXCVRNNEU-HZPDHXFCSA-N 1 3 329.504 2.493 10 0 EEAEHO Cc1ccc(C)c(OCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)c1 ZINC001268080253 1181691041 /nfs/dbraw/zinc/69/10/41/1181691041.db2.gz WEEIUGUKFAFJIO-ZWKOTPCHSA-N 1 3 347.503 2.213 10 0 EEAEHO C[C@H](CNCc1ccc(Cl)nc1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268094664 1181733859 /nfs/dbraw/zinc/73/38/59/1181733859.db2.gz POSBEMKFOWFZGJ-KGLIPLIRSA-N 1 3 338.883 2.013 10 0 EEAEHO C[C@H](CNCc1ccc(Cl)nc1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268094664 1181733863 /nfs/dbraw/zinc/73/38/63/1181733863.db2.gz POSBEMKFOWFZGJ-KGLIPLIRSA-N 1 3 338.883 2.013 10 0 EEAEHO Cc1ccc(C)c(OCCN2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)c1 ZINC001481741462 1182462979 /nfs/dbraw/zinc/46/29/79/1182462979.db2.gz ZWTHYJDUTAJBAJ-GOSISDBHSA-N 1 3 347.503 2.167 10 0 EEAEHO CC[C@H](CNC(=O)CC[NH+](C)C)N[C@H](C)c1ccc(F)cc1F ZINC001481847619 1182791972 /nfs/dbraw/zinc/79/19/72/1182791972.db2.gz GMHKGAIDQXLMFL-TZMCWYRMSA-N 1 3 327.419 2.462 10 0 EEAEHO CCN(CC[NH2+]CCc1ccc(C)cc1)C(=O)CN1CC[C@H](C)C1 ZINC001268479609 1182915160 /nfs/dbraw/zinc/91/51/60/1182915160.db2.gz NQCBVLVJJSARGX-SFHVURJKSA-N 1 3 331.504 2.317 10 0 EEAEHO CN(CC(=O)N[C@@](C)(C[NH2+]Cc1cncc(F)c1)C1CC1)C1CCC1 ZINC001481932473 1182972123 /nfs/dbraw/zinc/97/21/23/1182972123.db2.gz RBGCQFAWDQEQHO-IBGZPJMESA-N 1 3 348.466 2.080 10 0 EEAEHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)CC1)C1CCC1 ZINC001482016717 1183135325 /nfs/dbraw/zinc/13/53/25/1183135325.db2.gz NJBCZXOZTQIWBU-QAQDUYKDSA-N 1 3 348.466 2.222 10 0 EEAEHO Cc1cncc(CNC/C=C\CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001268542513 1183213340 /nfs/dbraw/zinc/21/33/40/1183213340.db2.gz QVCKKJJNKGKXJM-PYTPGESOSA-N 1 3 330.476 2.025 10 0 EEAEHO Cc1cncc(CNC/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001268542513 1183213347 /nfs/dbraw/zinc/21/33/47/1183213347.db2.gz QVCKKJJNKGKXJM-PYTPGESOSA-N 1 3 330.476 2.025 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCc1ccccc1 ZINC001482101369 1183333460 /nfs/dbraw/zinc/33/34/60/1183333460.db2.gz MJDMRPQFZCXCOU-IEBWSBKVSA-N 1 3 331.504 2.444 10 0 EEAEHO C[C@@H](CNCc1c(F)cccc1F)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001482136539 1183448739 /nfs/dbraw/zinc/44/87/39/1183448739.db2.gz MPMHLYRNHGTUHX-ZDUSSCGKSA-N 1 3 339.430 2.149 10 0 EEAEHO CC1CCN(CC(=O)NC/C=C/C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001268607948 1183515594 /nfs/dbraw/zinc/51/55/94/1183515594.db2.gz KOCCNLIJKSGVCW-WOMSROEHSA-N 1 3 343.462 2.416 10 0 EEAEHO Cc1ccccc1OCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001268688782 1183613469 /nfs/dbraw/zinc/61/34/69/1183613469.db2.gz LVVFJFSBOQPXRW-ROUUACIJSA-N 1 3 347.503 2.341 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]Cc2cccc(N(C)C)c2)C1 ZINC001268848327 1183764152 /nfs/dbraw/zinc/76/41/52/1183764152.db2.gz XZKZDIDRDKVLEQ-QGZVFWFLSA-N 1 3 346.519 2.033 10 0 EEAEHO C[C@H](O)CCC[NH2+][C@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001270024926 1184795668 /nfs/dbraw/zinc/79/56/68/1184795668.db2.gz PLXSQIXGNYXARB-ULQDDVLXSA-N 1 3 341.540 2.142 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCc1cccc(F)c1 ZINC001270114172 1184859591 /nfs/dbraw/zinc/85/95/91/1184859591.db2.gz XPBSLZMPJSHTHF-RBUKOAKNSA-N 1 3 347.478 2.433 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCc1ccsc1 ZINC001270184844 1184904715 /nfs/dbraw/zinc/90/47/15/1184904715.db2.gz UOWCBYJNJLHQMF-SJORKVTESA-N 1 3 335.517 2.356 10 0 EEAEHO CCOCC[NH+]1CCC(C)(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001270266463 1184973114 /nfs/dbraw/zinc/97/31/14/1184973114.db2.gz HDHZVNAAJLIUFF-UHFFFAOYSA-N 1 3 347.503 2.369 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC001270579803 1185183381 /nfs/dbraw/zinc/18/33/81/1185183381.db2.gz XIDDZUAHSOOFIF-RZIFZGNASA-N 1 3 326.444 2.316 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001270743578 1185358490 /nfs/dbraw/zinc/35/84/90/1185358490.db2.gz AKNXFKNVLAHDNR-QUCCMNQESA-N 1 3 331.504 2.398 10 0 EEAEHO CC[C@@H](C(=O)NC/C=C\C[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C ZINC001483060551 1188354842 /nfs/dbraw/zinc/35/48/42/1188354842.db2.gz MIGPJXWNEPCNAQ-SLXDBMQSSA-N 1 3 333.451 2.415 10 0 EEAEHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]C[C@H]1CC(C)(C)CO1)N(C)C ZINC001409439111 1189680279 /nfs/dbraw/zinc/68/02/79/1189680279.db2.gz GDBPNWGOLTXJAM-CVEARBPZSA-N 1 3 341.540 2.216 10 0 EEAEHO C[C@H]1CCN(CC(=O)N[C@@H](C[NH2+]Cc2cccc(F)c2)C2CC2)C1 ZINC001483587252 1190573475 /nfs/dbraw/zinc/57/34/75/1190573475.db2.gz BOSANRBBBIOMCU-KSSFIOAISA-N 1 3 333.451 2.152 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(Cl)nc2)C[C@H]1C ZINC001486138545 1193692734 /nfs/dbraw/zinc/69/27/34/1193692734.db2.gz YGGWUDPRRHMLQI-UKRRQHHQSA-N 1 3 338.883 2.154 10 0 EEAEHO C[C@H]1C[C@@H](NCc2cccnc2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001486139111 1193693306 /nfs/dbraw/zinc/69/33/06/1193693306.db2.gz ZBQDNWZVUZLTAX-PKOBYXMFSA-N 1 3 344.503 2.427 10 0 EEAEHO CC(C)(C(=O)NCC1([NH2+]CCOc2ccccc2)CC1)N1CCCC1 ZINC001483757074 1190981714 /nfs/dbraw/zinc/98/17/14/1190981714.db2.gz QAGJIYUZAFTYNH-UHFFFAOYSA-N 1 3 345.487 2.178 10 0 EEAEHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@H](C)C2)sn1 ZINC001483918353 1191116181 /nfs/dbraw/zinc/11/61/81/1191116181.db2.gz XXAQKQHPLHMYDD-CABCVRRESA-N 1 3 338.521 2.261 10 0 EEAEHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](F)CC)N(C)C ZINC001484388625 1191328710 /nfs/dbraw/zinc/32/87/10/1191328710.db2.gz FJVLPVIWRIGYIR-ZOFXXKQRSA-N 1 3 327.488 2.434 10 0 EEAEHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](F)CC)N(C)C ZINC001484388625 1191328712 /nfs/dbraw/zinc/32/87/12/1191328712.db2.gz FJVLPVIWRIGYIR-ZOFXXKQRSA-N 1 3 327.488 2.434 10 0 EEAEHO CC1CCN(CC(=O)N2CC[C@H](CC[NH2+]C/C=C/Cl)C2)CC1 ZINC001484543626 1191403190 /nfs/dbraw/zinc/40/31/90/1191403190.db2.gz OCQQEXPVUBNHQW-BGGTUALNSA-N 1 3 327.900 2.299 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H](CC[NH2+]CCCF)C2)C1 ZINC001484536609 1191404162 /nfs/dbraw/zinc/40/41/62/1191404162.db2.gz ACTVAUCHNMKENO-YJBOKZPZSA-N 1 3 345.478 2.387 10 0 EEAEHO COCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001484726770 1191486518 /nfs/dbraw/zinc/48/65/18/1191486518.db2.gz RFXCMGUIVIZIGF-MSOLQXFVSA-N 1 3 339.524 2.257 10 0 EEAEHO COCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001484726770 1191486520 /nfs/dbraw/zinc/48/65/20/1191486520.db2.gz RFXCMGUIVIZIGF-MSOLQXFVSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1nocc1CNCC1CC(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001485109852 1191657338 /nfs/dbraw/zinc/65/73/38/1191657338.db2.gz KSXOFTGMGQFGDI-UHFFFAOYSA-N 1 3 348.491 2.234 10 0 EEAEHO Cc1nocc1CNCC1CC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001485110382 1191657479 /nfs/dbraw/zinc/65/74/79/1191657479.db2.gz HIPWVZHAOAPQQG-VMWRSERWSA-N 1 3 348.491 2.088 10 0 EEAEHO C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNCCF)[NH+]1CCCCCC1 ZINC001691844139 1194300308 /nfs/dbraw/zinc/30/03/08/1194300308.db2.gz ANVPKYADXVQGIC-ZACQAIPSSA-N 1 3 327.488 2.437 10 0 EEAEHO CCCN(C)CC(=O)N1CCC([N@H+](C)C[C@H]2CCO[C@H](C)C2)CC1 ZINC001410256047 1197639438 /nfs/dbraw/zinc/63/94/38/1197639438.db2.gz XPHLQSGBUZADPT-SJORKVTESA-N 1 3 339.524 2.066 10 0 EEAEHO CCCN(C)CC(=O)N1CCC([N@@H+](C)C[C@H]2CCO[C@H](C)C2)CC1 ZINC001410256047 1197639441 /nfs/dbraw/zinc/63/94/41/1197639441.db2.gz XPHLQSGBUZADPT-SJORKVTESA-N 1 3 339.524 2.066 10 0 EEAEHO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(C)CCCCCC[NH3+] ZINC000872155131 1198061804 /nfs/dbraw/zinc/06/18/04/1198061804.db2.gz DITPJCNDFHOFGF-SFHVURJKSA-N 1 3 346.519 2.175 10 0 EEAEHO CC(C)(O)C[C@@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000872216069 1198091836 /nfs/dbraw/zinc/09/18/36/1198091836.db2.gz NJGLBJAORZNVFR-RBUKOAKNSA-N 1 3 346.515 2.400 10 0 EEAEHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810182505 1199337030 /nfs/dbraw/zinc/33/70/30/1199337030.db2.gz VCKGLRCXIYDCCV-XLIONFOSSA-N 1 3 349.494 2.488 10 0 EEAEHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870909242 1200945254 /nfs/dbraw/zinc/94/52/54/1200945254.db2.gz BOZPBWMMDLPSES-SHPPYHEDSA-N 1 3 342.487 2.255 10 0 EEAEHO CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCCOC(C)C)CC1(C)C)N(C)C ZINC001274436895 1205035740 /nfs/dbraw/zinc/03/57/40/1205035740.db2.gz QYUQUWMODUEQRK-IAGOWNOFSA-N 1 3 341.540 2.358 10 0 EEAEHO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CCCOC(C)C)CC1(C)C)N(C)C ZINC001274436895 1205035743 /nfs/dbraw/zinc/03/57/43/1205035743.db2.gz QYUQUWMODUEQRK-IAGOWNOFSA-N 1 3 341.540 2.358 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001274480909 1205052973 /nfs/dbraw/zinc/05/29/73/1205052973.db2.gz CFRKLAGAIFZRFG-SNAWJCMRSA-N 1 3 344.503 2.272 10 0 EEAEHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925321571 1206096405 /nfs/dbraw/zinc/09/64/05/1206096405.db2.gz NDTBZPKOUZJSEZ-CRAIPNDOSA-N 1 3 332.492 2.372 10 0 EEAEHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C(C)(C)CO ZINC000925438007 1206111775 /nfs/dbraw/zinc/11/17/75/1206111775.db2.gz IIRPCYGSQKDZPW-MRXNPFEDSA-N 1 3 347.503 2.009 10 0 EEAEHO O=C(NCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccccc1F ZINC000925497484 1206119727 /nfs/dbraw/zinc/11/97/27/1206119727.db2.gz ZWZAQRDFXUWBAS-SJLPKXTDSA-N 1 3 333.451 2.313 10 0 EEAEHO CNS(=O)(=O)c1ccc([C@H](C)N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925508273 1206120755 /nfs/dbraw/zinc/12/07/55/1206120755.db2.gz PTRIKEAJFWTNLC-CFVMTHIKSA-N 1 3 339.505 2.151 10 0 EEAEHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccc(NS(C)(=O)=O)cc2)C1 ZINC000925596859 1206134080 /nfs/dbraw/zinc/13/40/80/1206134080.db2.gz XHQFTNIKRSSFGQ-DZGCQCFKSA-N 1 3 325.478 2.054 10 0 EEAEHO Cc1nc2c(s1)[C@H](NC[C@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCC2 ZINC000925851522 1206160852 /nfs/dbraw/zinc/16/08/52/1206160852.db2.gz FYFDXFGXPUVEIG-CHWSQXEVSA-N 1 3 335.473 2.104 10 0 EEAEHO c1ccc2c(c1)CCO[C@@H]2CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925880332 1206163510 /nfs/dbraw/zinc/16/35/10/1206163510.db2.gz JNEIGHUAULPFOR-VNTMZGSJSA-N 1 3 330.472 2.437 10 0 EEAEHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2C)cc1 ZINC000928445185 1206384745 /nfs/dbraw/zinc/38/47/45/1206384745.db2.gz PBGLIMPRCQOUPC-QAPCUYQASA-N 1 3 333.476 2.230 10 0 EEAEHO CCN1C[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)OC1=O ZINC000690619531 1206554018 /nfs/dbraw/zinc/55/40/18/1206554018.db2.gz BVLPAYMOEOSIEH-SZMVWBNQSA-N 1 3 331.460 2.327 10 0 EEAEHO CCN1C[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)OC1=O ZINC000690619531 1206554019 /nfs/dbraw/zinc/55/40/19/1206554019.db2.gz BVLPAYMOEOSIEH-SZMVWBNQSA-N 1 3 331.460 2.327 10 0 EEAEHO C[N@@H+]1CCC[C@]2(CCN(C[C@H](O)CC[C@H](O)c3ccccc3)C2)C1 ZINC000930575979 1206567906 /nfs/dbraw/zinc/56/79/06/1206567906.db2.gz GFDRMVUOJKRAEO-AABGKKOBSA-N 1 3 332.488 2.279 10 0 EEAEHO C[N@H+]1CCC[C@]2(CCN(C[C@H](O)CC[C@H](O)c3ccccc3)C2)C1 ZINC000930575979 1206567907 /nfs/dbraw/zinc/56/79/07/1206567907.db2.gz GFDRMVUOJKRAEO-AABGKKOBSA-N 1 3 332.488 2.279 10 0 EEAEHO CO[C@H](CN1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)[C@@H]1CCOC1 ZINC001413048397 1217953570 /nfs/dbraw/zinc/95/35/70/1217953570.db2.gz AGWWKIJEZBEMCN-NCYKPQTJSA-N 1 3 344.499 2.492 10 0 EEAEHO CO[C@H](CN1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)[C@@H]1CCOC1 ZINC001413048397 1217953571 /nfs/dbraw/zinc/95/35/71/1217953571.db2.gz AGWWKIJEZBEMCN-NCYKPQTJSA-N 1 3 344.499 2.492 10 0 EEAEHO C[N@@H+]1CC[C@@](O)(CN[C@@H](CCc2cccnc2)c2ccccc2)C1 ZINC000902954411 1239183394 /nfs/dbraw/zinc/18/33/94/1239183394.db2.gz VPXOGRBCZXKVFT-VQTJNVASSA-N 1 3 325.456 2.412 10 0 EEAEHO C[N@H+]1CC[C@@](O)(CN[C@@H](CCc2cccnc2)c2ccccc2)C1 ZINC000902954411 1239183396 /nfs/dbraw/zinc/18/33/96/1239183396.db2.gz VPXOGRBCZXKVFT-VQTJNVASSA-N 1 3 325.456 2.412 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@@H]2c2ccc(O)cc2)cnn1C ZINC000903904385 1242417182 /nfs/dbraw/zinc/41/71/82/1242417182.db2.gz TYXNWQRHWHWOGQ-HNAYVOBHSA-N 1 3 328.460 2.389 10 0 EEAEHO CCN(CCNCc1cnn(C)c1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001273476167 1278574569 /nfs/dbraw/zinc/57/45/69/1278574569.db2.gz CSWTXZOFMKUVGX-UHFFFAOYSA-N 1 3 349.523 2.011 10 0 EEAEHO CCN(CCNCc1cnn(C)c1)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001273476167 1278574575 /nfs/dbraw/zinc/57/45/75/1278574575.db2.gz CSWTXZOFMKUVGX-UHFFFAOYSA-N 1 3 349.523 2.011 10 0 EEAEHO CC(C)[N@H+](C)CCOCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001489219917 1290458911 /nfs/dbraw/zinc/45/89/11/1290458911.db2.gz SVDFNRWLUAMVAL-SFHVURJKSA-N 1 3 345.503 2.014 10 0 EEAEHO CC(C)[N@@H+](C)CCOCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001489219917 1290458922 /nfs/dbraw/zinc/45/89/22/1290458922.db2.gz SVDFNRWLUAMVAL-SFHVURJKSA-N 1 3 345.503 2.014 10 0 EEAEHO CC(C)[N@H+](C)CCOCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001489219913 1290459245 /nfs/dbraw/zinc/45/92/45/1290459245.db2.gz SVDFNRWLUAMVAL-GOSISDBHSA-N 1 3 345.503 2.014 10 0 EEAEHO CC(C)[N@@H+](C)CCOCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001489219913 1290459248 /nfs/dbraw/zinc/45/92/48/1290459248.db2.gz SVDFNRWLUAMVAL-GOSISDBHSA-N 1 3 345.503 2.014 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N[C@H]1CC12CCN(C[C@@H](F)CC)CC2 ZINC001490606858 1291518069 /nfs/dbraw/zinc/51/80/69/1291518069.db2.gz VOPYOBVQNWKYRF-HOTGVXAUSA-N 1 3 327.488 2.437 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N[C@H]1CC12CCN(C[C@@H](F)CC)CC2 ZINC001490606858 1291518076 /nfs/dbraw/zinc/51/80/76/1291518076.db2.gz VOPYOBVQNWKYRF-HOTGVXAUSA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1ccc(C[NH2+][C@H](CNC(=O)CN2CC[C@@H](C)C2)C2CC2)cc1F ZINC001490708620 1291592151 /nfs/dbraw/zinc/59/21/51/1291592151.db2.gz CWXGPIFRRFHJTO-AUUYWEPGSA-N 1 3 347.478 2.460 10 0 EEAEHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000855899164 1293361049 /nfs/dbraw/zinc/36/10/49/1293361049.db2.gz HEEWVKOWJZNWNJ-MAUKXSAKSA-N 1 3 327.488 2.436 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2CN(C/C=C\c3ccccc3)C[C@H]21 ZINC001265725739 1323351986 /nfs/dbraw/zinc/35/19/86/1323351986.db2.gz DYVJJOIHDSEQSM-XDSKUXDFSA-N 1 3 341.499 2.478 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCCC[N@H+](C)C/C=C/c2ccccc2)C1 ZINC001265923668 1323489765 /nfs/dbraw/zinc/48/97/65/1323489765.db2.gz URSAXYJLVJMWNC-OPUMOTSWSA-N 1 3 329.488 2.480 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCCC[N@@H+](C)C/C=C/c2ccccc2)C1 ZINC001265923668 1323489767 /nfs/dbraw/zinc/48/97/67/1323489767.db2.gz URSAXYJLVJMWNC-OPUMOTSWSA-N 1 3 329.488 2.480 10 0 EEAEHO CCOCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001266120410 1323692283 /nfs/dbraw/zinc/69/22/83/1323692283.db2.gz YMLNGMQRVORNOZ-MSOLQXFVSA-N 1 3 339.524 2.210 10 0 EEAEHO CCOCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001266120410 1323692289 /nfs/dbraw/zinc/69/22/89/1323692289.db2.gz YMLNGMQRVORNOZ-MSOLQXFVSA-N 1 3 339.524 2.210 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC2=CC[N@H+](CCCF)CC2)C1 ZINC001279636888 1323966701 /nfs/dbraw/zinc/96/67/01/1323966701.db2.gz PNBLGLGSIIXQNP-SFHVURJKSA-N 1 3 343.462 2.307 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC2=CC[N@@H+](CCCF)CC2)C1 ZINC001279636888 1323966703 /nfs/dbraw/zinc/96/67/03/1323966703.db2.gz PNBLGLGSIIXQNP-SFHVURJKSA-N 1 3 343.462 2.307 10 0 EEAEHO COCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001281098083 1324760566 /nfs/dbraw/zinc/76/05/66/1324760566.db2.gz AZNYCFWJDMATJM-LJQANCHMSA-N 1 3 339.524 2.068 10 0 EEAEHO COCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001281098083 1324760569 /nfs/dbraw/zinc/76/05/69/1324760569.db2.gz AZNYCFWJDMATJM-LJQANCHMSA-N 1 3 339.524 2.068 10 0 EEAEHO COCCCC[NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001281476401 1325148103 /nfs/dbraw/zinc/14/81/03/1325148103.db2.gz SDJNEHVSAPTYHY-LPHOPBHVSA-N 1 3 347.503 2.225 10 0 EEAEHO CN(CC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCF)C1CCC1 ZINC001281905067 1325505125 /nfs/dbraw/zinc/50/51/25/1325505125.db2.gz FFDUUQXXLHUGSY-IEBWSBKVSA-N 1 3 333.451 2.202 10 0 EEAEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@@H](C)[NH2+]CCOc1ccccc1 ZINC001282168343 1325640211 /nfs/dbraw/zinc/64/02/11/1325640211.db2.gz QVHHTYCIZMUOFI-IAGOWNOFSA-N 1 3 347.503 2.423 10 0 EEAEHO Cc1ccc(CCC[NH2+][C@@H](C)CN(C)C(=O)Cc2c[nH]cn2)cc1 ZINC001283680189 1326199181 /nfs/dbraw/zinc/19/91/81/1326199181.db2.gz NSMQLGLBYBLVIP-INIZCTEOSA-N 1 3 328.460 2.330 10 0 EEAEHO Cc1ccccc1OCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001284750437 1326694932 /nfs/dbraw/zinc/69/49/32/1326694932.db2.gz BDRMCWVMNSPZRM-ABHNRTSZSA-N 1 3 345.487 2.047 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001491850665 1330273971 /nfs/dbraw/zinc/27/39/71/1330273971.db2.gz WHESCIMVHGWILJ-QGZVFWFLSA-N 1 3 342.487 2.448 10 0 EEAEHO C[N@H+](CCCF)[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001491951540 1330342723 /nfs/dbraw/zinc/34/27/23/1330342723.db2.gz IXOIDXASPQIVPQ-CRAIPNDOSA-N 1 3 345.478 2.481 10 0 EEAEHO C[N@@H+](CCCF)[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001491951540 1330342729 /nfs/dbraw/zinc/34/27/29/1330342729.db2.gz IXOIDXASPQIVPQ-CRAIPNDOSA-N 1 3 345.478 2.481 10 0 EEAEHO COc1ccc(C)cc1CN(C)CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001316850188 1331445327 /nfs/dbraw/zinc/44/53/27/1331445327.db2.gz ARYMZGOAMIIIGU-QGZVFWFLSA-N 1 3 347.503 2.284 10 0 EEAEHO COc1ccc(C)cc1CN(C)CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001316850188 1331445328 /nfs/dbraw/zinc/44/53/28/1331445328.db2.gz ARYMZGOAMIIIGU-QGZVFWFLSA-N 1 3 347.503 2.284 10 0 EEAEHO COc1ccc(C[N@H+](C)CCCNC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001316851073 1331934894 /nfs/dbraw/zinc/93/48/94/1331934894.db2.gz PFKVUOAFFCGNFF-MRXNPFEDSA-N 1 3 347.503 2.284 10 0 EEAEHO COc1ccc(C[N@@H+](C)CCCNC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001316851073 1331934898 /nfs/dbraw/zinc/93/48/98/1331934898.db2.gz PFKVUOAFFCGNFF-MRXNPFEDSA-N 1 3 347.503 2.284 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOC2CCC2)C1 ZINC001317121441 1332087062 /nfs/dbraw/zinc/08/70/62/1332087062.db2.gz LZNQWWQMFZGVAB-JZXOWHBKSA-N 1 3 337.508 2.055 10 0 EEAEHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc2ncccc2c1)N(C)C ZINC001317627311 1332335475 /nfs/dbraw/zinc/33/54/75/1332335475.db2.gz FLJREGDTOSPCCS-SFHVURJKSA-N 1 3 328.460 2.123 10 0 EEAEHO CN(CCNCc1cc2ccccc2o1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317656197 1332352558 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EEAEHO CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2cncs2)CC1)N(C)C ZINC001666244709 1355493887 /nfs/dbraw/zinc/49/38/87/1355493887.db2.gz GQBAMMOXQATGJF-INIZCTEOSA-N 1 3 338.521 2.202 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]Cc1ccc(Cl)nc1 ZINC001668319154 1355922513 /nfs/dbraw/zinc/92/25/13/1355922513.db2.gz DVJHTYUTZLNLTM-CYBMUJFWSA-N 1 3 326.872 2.060 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(CO)cc1 ZINC001668324755 1355923437 /nfs/dbraw/zinc/92/34/37/1355923437.db2.gz DPGYSHKVBHRSPE-APWZRJJASA-N 1 3 347.503 2.038 10 0 EEAEHO COc1cccc([C@@H](C)NC/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001668834193 1356016776 /nfs/dbraw/zinc/01/67/76/1356016776.db2.gz SQJXVEGSSGMCJI-CGCIEXPJSA-N 1 3 345.487 2.358 10 0 EEAEHO COc1cccc([C@@H](C)NC/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001668834193 1356016780 /nfs/dbraw/zinc/01/67/80/1356016780.db2.gz SQJXVEGSSGMCJI-CGCIEXPJSA-N 1 3 345.487 2.358 10 0 EEAEHO O=C(NC/C=C\CNCCC(F)(F)F)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001668882864 1356034213 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CN(CCCNCc1cc(F)ccc1Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001699550025 1405385732 /nfs/dbraw/zinc/38/57/32/1405385732.db2.gz CAXLJVZSFPKCFS-CYBMUJFWSA-N 1 3 341.858 2.369 10 0 EEAEHO CN(CCCNCc1cc(F)ccc1Cl)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001699550025 1405385739 /nfs/dbraw/zinc/38/57/39/1405385739.db2.gz CAXLJVZSFPKCFS-CYBMUJFWSA-N 1 3 341.858 2.369 10 0 EEAEHO CC(C)Oc1ccc([C@@H](CNC(=O)C23CC[NH+](CC2)C3)N(C)C)cc1 ZINC000908213428 785239192 /nfs/dbraw/zinc/23/91/92/785239192.db2.gz WPYFBCMYLGPYCK-GOSISDBHSA-N 1 3 345.487 2.289 10 0 EEAEHO O[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000819015383 785382778 /nfs/dbraw/zinc/38/27/78/785382778.db2.gz GIWJKJUUGMTRBW-XLIONFOSSA-N 1 3 343.446 2.408 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000909204216 786092161 /nfs/dbraw/zinc/09/21/61/786092161.db2.gz UGQGOQZKXFZYHY-QGZVFWFLSA-N 1 3 327.472 2.063 10 0 EEAEHO Cc1cc(Cl)ncc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000821986323 786964767 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CCCN1CCN(c2ccccc2C[N@@H+](C)CC2CC(O)C2)CC1 ZINC000443860699 539958878 /nfs/dbraw/zinc/95/88/78/539958878.db2.gz IYBZTIDOWRCCBQ-UHFFFAOYSA-N 1 3 331.504 2.421 10 0 EEAEHO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)C[C@@H](C)N)CC2)cc1 ZINC000422710269 240186831 /nfs/dbraw/zinc/18/68/31/240186831.db2.gz FNZOUKYLDNNWGS-HUUCEWRRSA-N 1 3 333.476 2.405 10 0 EEAEHO CN(C)[C@]1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CCSC1 ZINC000426704828 241327487 /nfs/dbraw/zinc/32/74/87/241327487.db2.gz SSZRWCAROMJSLU-KRWDZBQOSA-N 1 3 327.538 2.052 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCN(C)CC1 ZINC000268737522 252187416 /nfs/dbraw/zinc/18/74/16/252187416.db2.gz OOVYKEFQJNALJF-CTNGQTDRSA-N 1 3 344.547 2.124 10 0 EEAEHO COC1(C[C@@H](C)[NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)CCC1 ZINC000276999069 256488028 /nfs/dbraw/zinc/48/80/28/256488028.db2.gz ACWLWKRRNAZAMT-MRXNPFEDSA-N 1 3 347.503 2.415 10 0 EEAEHO C[C@@H]1CCCN(CCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000107833033 159337044 /nfs/dbraw/zinc/33/70/44/159337044.db2.gz SACSHXIXDPFSNF-MSOLQXFVSA-N 1 3 336.524 2.378 10 0 EEAEHO CCN1CCC[C@H](NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000248404352 160344276 /nfs/dbraw/zinc/34/42/76/160344276.db2.gz QCAHVOCWZGYXOF-IKGGRYGDSA-N 1 3 336.524 2.423 10 0 EEAEHO CCN1CCC[C@H](NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000248404352 160344277 /nfs/dbraw/zinc/34/42/77/160344277.db2.gz QCAHVOCWZGYXOF-IKGGRYGDSA-N 1 3 336.524 2.423 10 0 EEAEHO NC(=O)N1CCC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000289772862 275147394 /nfs/dbraw/zinc/14/73/94/275147394.db2.gz JXPNFXWGQMKIPI-SFHVURJKSA-N 1 3 344.503 2.421 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)NC[C@H](C)[N@H+](C)C3CC3)cc2)CC1 ZINC000175965377 276202523 /nfs/dbraw/zinc/20/25/23/276202523.db2.gz JUFPAQSKJBMOAE-INIZCTEOSA-N 1 3 344.503 2.041 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)NC[C@H](C)[N@@H+](C)C3CC3)cc2)CC1 ZINC000175965377 276202524 /nfs/dbraw/zinc/20/25/24/276202524.db2.gz JUFPAQSKJBMOAE-INIZCTEOSA-N 1 3 344.503 2.041 10 0 EEAEHO C[N@@H+]1CC[C@H](NCCn2cc(Br)cn2)[C@@H]2CCC[C@H]21 ZINC000367710211 277171248 /nfs/dbraw/zinc/17/12/48/277171248.db2.gz WGEDHJSPMOTLLW-MELADBBJSA-N 1 3 327.270 2.108 10 0 EEAEHO C[N@H+]1CC[C@H](NCCn2cc(Br)cn2)[C@@H]2CCC[C@H]21 ZINC000367710211 277171249 /nfs/dbraw/zinc/17/12/49/277171249.db2.gz WGEDHJSPMOTLLW-MELADBBJSA-N 1 3 327.270 2.108 10 0 EEAEHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000340146867 279316727 /nfs/dbraw/zinc/31/67/27/279316727.db2.gz HSOPRBHOLNGXIP-BHIYHBOVSA-N 1 3 344.503 2.463 10 0 EEAEHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000340146867 279316730 /nfs/dbraw/zinc/31/67/30/279316730.db2.gz HSOPRBHOLNGXIP-BHIYHBOVSA-N 1 3 344.503 2.463 10 0 EEAEHO CN(c1ccccc1CNCC1(C)OCCCO1)C1CC[NH+](C)CC1 ZINC000192251568 289785526 /nfs/dbraw/zinc/78/55/26/289785526.db2.gz QHCFQSXJHOWBKR-UHFFFAOYSA-N 1 3 347.503 2.460 10 0 EEAEHO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000418398273 313803620 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c1ccc(CN2C[C@@H](C[NH2+][C@@H]3CCOC3)C3(C2)CCOCC3)cc1 ZINC000339493257 465305293 /nfs/dbraw/zinc/30/52/93/465305293.db2.gz GXBSUZVIYYZSQS-RTBURBONSA-N 1 3 330.472 2.294 10 0 EEAEHO c1ccc(C[N@H+]2C[C@@H](CN[C@@H]3CCOC3)C3(C2)CCOCC3)cc1 ZINC000339493257 465305297 /nfs/dbraw/zinc/30/52/97/465305297.db2.gz GXBSUZVIYYZSQS-RTBURBONSA-N 1 3 330.472 2.294 10 0 EEAEHO c1ccc(C[N@@H+]2C[C@@H](CN[C@@H]3CCOC3)C3(C2)CCOCC3)cc1 ZINC000339493257 465305304 /nfs/dbraw/zinc/30/53/04/465305304.db2.gz GXBSUZVIYYZSQS-RTBURBONSA-N 1 3 330.472 2.294 10 0 EEAEHO CN(C)C[C@@H]1CC[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000113513082 462598687 /nfs/dbraw/zinc/59/86/87/462598687.db2.gz AFFKHBBILSSBHZ-RDJZCZTQSA-N 1 3 326.868 2.101 10 0 EEAEHO CN(C)C[C@@H]1CC[N@@H+](C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000113513082 462598691 /nfs/dbraw/zinc/59/86/91/462598691.db2.gz AFFKHBBILSSBHZ-RDJZCZTQSA-N 1 3 326.868 2.101 10 0 EEAEHO CO[C@H](C)c1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000120059128 462957877 /nfs/dbraw/zinc/95/78/77/462957877.db2.gz STPNGCYVBGPSPQ-OAHLLOKOSA-N 1 3 336.480 2.351 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000043239705 463629718 /nfs/dbraw/zinc/62/97/18/463629718.db2.gz FQWRDIDZPOLCFO-IEBWSBKVSA-N 1 3 344.503 2.435 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000043239705 463629722 /nfs/dbraw/zinc/62/97/22/463629722.db2.gz FQWRDIDZPOLCFO-IEBWSBKVSA-N 1 3 344.503 2.435 10 0 EEAEHO C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000170863103 463726295 /nfs/dbraw/zinc/72/62/95/463726295.db2.gz WUXCPMNVXACLIK-GJZGRUSLSA-N 1 3 336.505 2.231 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)CSc1ccc2c(c1)CCC2 ZINC000261383535 463792698 /nfs/dbraw/zinc/79/26/98/463792698.db2.gz CJYWTXMRJAAVHT-UHFFFAOYSA-N 1 3 349.544 2.219 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000579572202 468377783 /nfs/dbraw/zinc/37/77/83/468377783.db2.gz LTUQBUNUSXTABW-RWQQGDIJSA-N 1 3 344.503 2.337 10 0 EEAEHO Cc1ccc([C@@H](CNC(=O)[C@H]([NH3+])C2CCOCC2)N2CCCC2)cc1 ZINC000261626910 463806729 /nfs/dbraw/zinc/80/67/29/463806729.db2.gz CPCUZQCXWHOORA-RTBURBONSA-N 1 3 345.487 2.002 10 0 EEAEHO CCC(CC)[C@H](CNC(=O)N1CCN2CCC[C@@H]2C1)[NH+]1CCCC1 ZINC000171899990 463944953 /nfs/dbraw/zinc/94/49/53/463944953.db2.gz YXZFEWGTVCVZSG-MSOLQXFVSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CCN1CC(C)(C)O ZINC000298565905 465433804 /nfs/dbraw/zinc/43/38/04/465433804.db2.gz WNGFSGAYVGSUAM-IEBWSBKVSA-N 1 3 331.504 2.038 10 0 EEAEHO C[C@@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1CC(C)(C)O ZINC000298565905 465433805 /nfs/dbraw/zinc/43/38/05/465433805.db2.gz WNGFSGAYVGSUAM-IEBWSBKVSA-N 1 3 331.504 2.038 10 0 EEAEHO CC(C)(C)[C@H](O)C[C@@H](CO)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000284353853 464160522 /nfs/dbraw/zinc/16/05/22/464160522.db2.gz MNMJAPWFAMYMKB-VQTJNVASSA-N 1 3 348.531 2.441 10 0 EEAEHO C[N@H+](CCCNC(=O)N1CC[C@H](N2CC=CC2)C1)C1CCCCC1 ZINC000173850146 464321539 /nfs/dbraw/zinc/32/15/39/464321539.db2.gz BNLFTZYVEIXHGQ-SFHVURJKSA-N 1 3 334.508 2.297 10 0 EEAEHO C[N@@H+](CCCNC(=O)N1CC[C@H](N2CC=CC2)C1)C1CCCCC1 ZINC000173850146 464321543 /nfs/dbraw/zinc/32/15/43/464321543.db2.gz BNLFTZYVEIXHGQ-SFHVURJKSA-N 1 3 334.508 2.297 10 0 EEAEHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000246353263 464574756 /nfs/dbraw/zinc/57/47/56/464574756.db2.gz PLKAYHOOXQDIPB-XWTMOSNGSA-N 1 3 334.508 2.009 10 0 EEAEHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000246353263 464574762 /nfs/dbraw/zinc/57/47/62/464574762.db2.gz PLKAYHOOXQDIPB-XWTMOSNGSA-N 1 3 334.508 2.009 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000371137666 465613463 /nfs/dbraw/zinc/61/34/63/465613463.db2.gz BZMRWDHHNXRTNK-MAUKXSAKSA-N 1 3 342.487 2.205 10 0 EEAEHO CC[NH+]1CCC(NC[C@@H](Cc2ccc(F)cc2C)C(=O)NC)CC1 ZINC000569241435 468462204 /nfs/dbraw/zinc/46/22/04/468462204.db2.gz SSVKGZSQDSCFRB-MRXNPFEDSA-N 1 3 335.467 2.113 10 0 EEAEHO O=C(CC1(N2CCOCC2)CCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000365413191 466810291 /nfs/dbraw/zinc/81/02/91/466810291.db2.gz XBBZYPGRIRLIMZ-UHFFFAOYSA-N 1 3 349.519 2.155 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CCC[C@H](CC[NH3+])C2)[C@@H]1c1ccccc1 ZINC000417953205 467000692 /nfs/dbraw/zinc/00/06/92/467000692.db2.gz ZCVBBBAOGQYAST-NJAFHUGGSA-N 1 3 330.476 2.202 10 0 EEAEHO CC(C)(C)CCN1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418443342 467111457 /nfs/dbraw/zinc/11/14/57/467111457.db2.gz FTCOXEWPRROBCS-QGZVFWFLSA-N 1 3 332.492 2.450 10 0 EEAEHO CN(CCCN(C)C(=O)NC[C@H]([NH3+])c1ccccc1)Cc1ccco1 ZINC000418450311 467113130 /nfs/dbraw/zinc/11/31/30/467113130.db2.gz LMNMWCPZMNXCFZ-SFHVURJKSA-N 1 3 344.459 2.443 10 0 EEAEHO CN(C(=O)NCC1(C)CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418525160 467123772 /nfs/dbraw/zinc/12/37/72/467123772.db2.gz XMAXEUBQADXCRR-SFHVURJKSA-N 1 3 344.503 2.292 10 0 EEAEHO C[C@H]([NH3+])[C@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418712536 467149042 /nfs/dbraw/zinc/14/90/42/467149042.db2.gz XHZQYHNJDQHVQJ-NBOOPKSLSA-N 1 3 332.492 2.417 10 0 EEAEHO C[C@H]1CC(C)(C)CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000413212359 467191556 /nfs/dbraw/zinc/19/15/56/467191556.db2.gz YGVLYVXNIYGRPB-HNNXBMFYSA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000382753430 467379415 /nfs/dbraw/zinc/37/94/15/467379415.db2.gz DSRBEJUXLREJSO-HKUYNNGSSA-N 1 3 329.488 2.499 10 0 EEAEHO CCOC(=O)c1csc(C2CCN(CC[C@H]3CC[NH2+]C3)CC2)n1 ZINC000420365574 467379991 /nfs/dbraw/zinc/37/99/91/467379991.db2.gz FACNXGPBIHEZOT-CYBMUJFWSA-N 1 3 337.489 2.499 10 0 EEAEHO COc1ncc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000397629808 467443368 /nfs/dbraw/zinc/44/33/68/467443368.db2.gz MPWPHFYEFIRHHC-UHFFFAOYSA-N 1 3 347.484 2.268 10 0 EEAEHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414930027 467452793 /nfs/dbraw/zinc/45/27/93/467452793.db2.gz ALFKLMGUXZPQFB-VNHYZAJKSA-N 1 3 335.448 2.009 10 0 EEAEHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)c1 ZINC000414930027 467452796 /nfs/dbraw/zinc/45/27/96/467452796.db2.gz ALFKLMGUXZPQFB-VNHYZAJKSA-N 1 3 335.448 2.009 10 0 EEAEHO Cn1cc(N2CCC[C@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)cn1 ZINC000436472285 467538537 /nfs/dbraw/zinc/53/85/37/467538537.db2.gz ZBVRRMGVAQMYFY-KRWDZBQOSA-N 1 3 340.475 2.043 10 0 EEAEHO CN1CC[C@@](O)(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449245293 467625701 /nfs/dbraw/zinc/62/57/01/467625701.db2.gz ZVJOKPGXONSXQV-LJQANCHMSA-N 1 3 325.541 2.322 10 0 EEAEHO C[C@@H]([NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1)C(=O)NCCF ZINC000449305217 467629364 /nfs/dbraw/zinc/62/93/64/467629364.db2.gz FGYBIJKEJWSFHV-HZPDHXFCSA-N 1 3 335.467 2.146 10 0 EEAEHO C[C@@H]([NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)C(=O)NCCF ZINC000449305218 467629512 /nfs/dbraw/zinc/62/95/12/467629512.db2.gz FGYBIJKEJWSFHV-JKSUJKDBSA-N 1 3 335.467 2.146 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)NCc3oc(C)nc3C)CC2)CC1 ZINC000582251561 468513343 /nfs/dbraw/zinc/51/33/43/468513343.db2.gz ZIKNTNQXDOBBIG-UHFFFAOYSA-N 1 3 348.491 2.104 10 0 EEAEHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000582962539 468623699 /nfs/dbraw/zinc/62/36/99/468623699.db2.gz HIIIXBIBGSPFTG-ROUUACIJSA-N 1 3 344.503 2.375 10 0 EEAEHO Cc1cc(NC(=O)CCNCc2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000560455064 468810489 /nfs/dbraw/zinc/81/04/89/468810489.db2.gz UMYGZRDIRCZPNI-UHFFFAOYSA-N 1 3 342.443 2.697 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000561205693 468875551 /nfs/dbraw/zinc/87/55/51/468875551.db2.gz ACNHHKCZEPGCQR-OAHLLOKOSA-N 1 3 335.517 2.418 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000561205691 468875572 /nfs/dbraw/zinc/87/55/72/468875572.db2.gz ACNHHKCZEPGCQR-HNNXBMFYSA-N 1 3 335.517 2.418 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000625854814 469411366 /nfs/dbraw/zinc/41/13/66/469411366.db2.gz JNDGVJKBZWUDKF-WMLDXEAASA-N 1 3 348.516 2.150 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2CCCN(C)C2)C1 ZINC000603758192 469427528 /nfs/dbraw/zinc/42/75/28/469427528.db2.gz GXUOATLXUBIHML-KZNAEPCWSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2CCCN(C)C2)C1 ZINC000603758192 469427532 /nfs/dbraw/zinc/42/75/32/469427532.db2.gz GXUOATLXUBIHML-KZNAEPCWSA-N 1 3 336.524 2.377 10 0 EEAEHO CN1CC[C@H]([NH2+]CCN2CCN(Cc3ccccc3)CC2)CC1(C)C ZINC000623340977 469630132 /nfs/dbraw/zinc/63/01/32/469630132.db2.gz ICVFGDYURIQMJH-FQEVSTJZSA-N 1 3 344.547 2.267 10 0 EEAEHO C[N@@H+]1CC[C@H](NCCN2CCN(Cc3ccccc3)CC2)CC1(C)C ZINC000623340977 469630134 /nfs/dbraw/zinc/63/01/34/469630134.db2.gz ICVFGDYURIQMJH-FQEVSTJZSA-N 1 3 344.547 2.267 10 0 EEAEHO C[N@H+]1CC[C@H](NCCN2CCN(Cc3ccccc3)CC2)CC1(C)C ZINC000623340977 469630136 /nfs/dbraw/zinc/63/01/36/469630136.db2.gz ICVFGDYURIQMJH-FQEVSTJZSA-N 1 3 344.547 2.267 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CC(C)(C)C(F)(F)F ZINC000617506898 469705977 /nfs/dbraw/zinc/70/59/77/469705977.db2.gz BSVPCOZGJPGKGZ-LBPRGKRZSA-N 1 3 325.419 2.353 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CC(C)(C)C(F)(F)F ZINC000617506898 469705979 /nfs/dbraw/zinc/70/59/79/469705979.db2.gz BSVPCOZGJPGKGZ-LBPRGKRZSA-N 1 3 325.419 2.353 10 0 EEAEHO COc1cc(Cl)cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000617507600 469705186 /nfs/dbraw/zinc/70/51/86/469705186.db2.gz BTEOERYTNYKBMW-ZDUSSCGKSA-N 1 3 341.883 2.350 10 0 EEAEHO COc1cc(Cl)cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000617507600 469705188 /nfs/dbraw/zinc/70/51/88/469705188.db2.gz BTEOERYTNYKBMW-ZDUSSCGKSA-N 1 3 341.883 2.350 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000626946497 469765401 /nfs/dbraw/zinc/76/54/01/469765401.db2.gz RDDSKIMSZGJKMG-LEUOFYLZSA-N 1 3 330.476 2.262 10 0 EEAEHO C[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)N(C)Cc1ccccc1 ZINC000626974179 469773847 /nfs/dbraw/zinc/77/38/47/469773847.db2.gz BMJTUZGADAUSDA-AHRSYUTCSA-N 1 3 344.503 2.148 10 0 EEAEHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@H]1CCCCO1 ZINC000623916327 469795970 /nfs/dbraw/zinc/79/59/70/469795970.db2.gz LZVBJKDIZICVBR-CRAIPNDOSA-N 1 3 333.476 2.025 10 0 EEAEHO CO[C@@H](CN(C)CCN(C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000625268411 470108954 /nfs/dbraw/zinc/10/89/54/470108954.db2.gz QIMXHKWQTAZTKH-IBGZPJMESA-N 1 3 337.483 2.471 10 0 EEAEHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NC/C=C\C[NH3+] ZINC000641869438 470504848 /nfs/dbraw/zinc/50/48/48/470504848.db2.gz ACNCLHTXXMRASN-HPFMTEOYSA-N 1 3 330.476 2.055 10 0 EEAEHO [NH3+]C/C=C\CNC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000641870579 470505695 /nfs/dbraw/zinc/50/56/95/470505695.db2.gz WCRDNAZZCZNBEE-BBIZLLLXSA-N 1 3 342.487 2.199 10 0 EEAEHO O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccccc1CC1CC[NH2+]CC1 ZINC000649322928 470544902 /nfs/dbraw/zinc/54/49/02/470544902.db2.gz WVGXGRNDYJILLR-LJQANCHMSA-N 1 3 341.499 2.443 10 0 EEAEHO CN1CC[C@H](NC(=O)NCc2ccc(C[NH3+])cc2)[C@H]1c1ccccc1 ZINC000646190769 470560376 /nfs/dbraw/zinc/56/03/76/470560376.db2.gz AARATEBDSATAIN-RBUKOAKNSA-N 1 3 338.455 2.390 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654532620 471058266 /nfs/dbraw/zinc/05/82/66/471058266.db2.gz YTLULZPRAPODPN-GDAAHCPNSA-N 1 3 344.503 2.146 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000654565109 471073832 /nfs/dbraw/zinc/07/38/32/471073832.db2.gz HUKHGUNXARYPHE-OQIJWPOYSA-N 1 3 344.503 2.289 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@@H]3C3CCCC3)CC2)CC1 ZINC000651207323 471089851 /nfs/dbraw/zinc/08/98/51/471089851.db2.gz NXCYNFSNQAZGBM-MOPGFXCFSA-N 1 3 333.520 2.488 10 0 EEAEHO C[C@@H]1CN(CCCC[NH2+]Cc2c(C(F)(F)F)cnn2C)C[C@@H](C)O1 ZINC000657367664 471114589 /nfs/dbraw/zinc/11/45/89/471114589.db2.gz RIKGYWBAKJUXSP-CHWSQXEVSA-N 1 3 348.413 2.418 10 0 EEAEHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654659451 471117243 /nfs/dbraw/zinc/11/72/43/471117243.db2.gz HSTOAOULLBAPCR-QRVBRYPASA-N 1 3 344.503 2.243 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000654658613 471117617 /nfs/dbraw/zinc/11/76/17/471117617.db2.gz SFXDUTJQHIWSKH-HDICACEKSA-N 1 3 336.524 2.234 10 0 EEAEHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCCSCC1 ZINC000657954526 471251789 /nfs/dbraw/zinc/25/17/89/471251789.db2.gz TZDKVHBVEKNLRF-ROUUACIJSA-N 1 3 349.544 2.151 10 0 EEAEHO CCCN1CCN(c2ccccc2CNCC23CC(C2)C[NH2+]3)CC1 ZINC000663497061 471401158 /nfs/dbraw/zinc/40/11/58/471401158.db2.gz AQVPCPIQTLMMDU-UHFFFAOYSA-N 1 3 328.504 2.060 10 0 EEAEHO O=C(c1ccccc1Cl)N1CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000663498133 471401467 /nfs/dbraw/zinc/40/14/67/471401467.db2.gz MEUCSCOOEBAQLZ-UHFFFAOYSA-N 1 3 333.863 2.286 10 0 EEAEHO C[NH2+]CCCC(=O)N1CCC(NCc2c(F)cccc2F)CC1 ZINC000663502474 471402329 /nfs/dbraw/zinc/40/23/29/471402329.db2.gz HCUPRXLHTAVYPU-UHFFFAOYSA-N 1 3 325.403 2.045 10 0 EEAEHO C[C@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cn2ccccc2n1 ZINC000655713196 471453343 /nfs/dbraw/zinc/45/33/43/471453343.db2.gz YGTNJCGAUADGLE-JKSUJKDBSA-N 1 3 327.476 2.153 10 0 EEAEHO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659033204 471477078 /nfs/dbraw/zinc/47/70/78/471477078.db2.gz IOTFCEZPXUQFGE-RHSMWYFYSA-N 1 3 334.464 2.199 10 0 EEAEHO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659033204 471477082 /nfs/dbraw/zinc/47/70/82/471477082.db2.gz IOTFCEZPXUQFGE-RHSMWYFYSA-N 1 3 334.464 2.199 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000663762996 471506927 /nfs/dbraw/zinc/50/69/27/471506927.db2.gz FONNGJPSGFGIMP-ZWKOTPCHSA-N 1 3 346.519 2.331 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000663762996 471506930 /nfs/dbraw/zinc/50/69/30/471506930.db2.gz FONNGJPSGFGIMP-ZWKOTPCHSA-N 1 3 346.519 2.331 10 0 EEAEHO O=C(Nc1ccc2c(c1F)CCNC2)c1cccn1C1CC[NH2+]CC1 ZINC000669518360 471531446 /nfs/dbraw/zinc/53/14/46/471531446.db2.gz RVZSTYNMYRGRKN-UHFFFAOYSA-N 1 3 342.418 2.450 10 0 EEAEHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000660959845 471567240 /nfs/dbraw/zinc/56/72/40/471567240.db2.gz RECFKEHODXCZSL-OKZBNKHCSA-N 1 3 330.476 2.215 10 0 EEAEHO CCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000660959845 471567243 /nfs/dbraw/zinc/56/72/43/471567243.db2.gz RECFKEHODXCZSL-OKZBNKHCSA-N 1 3 330.476 2.215 10 0 EEAEHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659482675 471649458 /nfs/dbraw/zinc/64/94/58/471649458.db2.gz QGXPJUPTTFBBJN-FDYSRKEFSA-N 1 3 344.503 2.276 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000664216773 471680886 /nfs/dbraw/zinc/68/08/86/471680886.db2.gz AQFNVYBXPPIGTH-XKGZKEIXSA-N 1 3 346.519 2.288 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000664216773 471680892 /nfs/dbraw/zinc/68/08/92/471680892.db2.gz AQFNVYBXPPIGTH-XKGZKEIXSA-N 1 3 346.519 2.288 10 0 EEAEHO C[C@@H](CCN1C[C@]2(C)COC[C@]2(C)C1)[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661492020 471776858 /nfs/dbraw/zinc/77/68/58/471776858.db2.gz WRRNDPMXZVEFRQ-UHZRXMQZSA-N 1 3 336.520 2.482 10 0 EEAEHO C[C@@H](CCN1C[C@]2(C)COC[C@]2(C)C1)[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661492020 471776863 /nfs/dbraw/zinc/77/68/63/471776863.db2.gz WRRNDPMXZVEFRQ-UHZRXMQZSA-N 1 3 336.520 2.482 10 0 EEAEHO C[C@@H](CC[N@H+]1C[C@]2(C)COC[C@]2(C)C1)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000661492020 471776867 /nfs/dbraw/zinc/77/68/67/471776867.db2.gz WRRNDPMXZVEFRQ-UHZRXMQZSA-N 1 3 336.520 2.482 10 0 EEAEHO C[C@@H](CC[N@@H+]1C[C@]2(C)COC[C@]2(C)C1)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000661492020 471776870 /nfs/dbraw/zinc/77/68/70/471776870.db2.gz WRRNDPMXZVEFRQ-UHZRXMQZSA-N 1 3 336.520 2.482 10 0 EEAEHO CO[C@H](CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000659973459 471810511 /nfs/dbraw/zinc/81/05/11/471810511.db2.gz PZJSWNQZDVFJPA-XUVXKRRUSA-N 1 3 332.488 2.492 10 0 EEAEHO CO[C@H](CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000659973459 471810517 /nfs/dbraw/zinc/81/05/17/471810517.db2.gz PZJSWNQZDVFJPA-XUVXKRRUSA-N 1 3 332.488 2.492 10 0 EEAEHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000661781701 471881953 /nfs/dbraw/zinc/88/19/53/471881953.db2.gz GUCLEOCYEUBYMX-WOJBJXKFSA-N 1 3 347.551 2.137 10 0 EEAEHO CCC1(C)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665639868 472120546 /nfs/dbraw/zinc/12/05/46/472120546.db2.gz HCRMSOFGLGEXNO-INIZCTEOSA-N 1 3 326.529 2.480 10 0 EEAEHO CCC1(C)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665639868 472120551 /nfs/dbraw/zinc/12/05/51/472120551.db2.gz HCRMSOFGLGEXNO-INIZCTEOSA-N 1 3 326.529 2.480 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2cc(F)ccc21 ZINC000665762803 472177814 /nfs/dbraw/zinc/17/78/14/472177814.db2.gz QNQCWHIHZRIDLG-AWEZNQCLSA-N 1 3 336.455 2.170 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2cc(F)ccc21 ZINC000665762803 472177820 /nfs/dbraw/zinc/17/78/20/472177820.db2.gz QNQCWHIHZRIDLG-AWEZNQCLSA-N 1 3 336.455 2.170 10 0 EEAEHO OC[C@]1(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCN(Cc2ccccc2)C1 ZINC000679043706 485572765 /nfs/dbraw/zinc/57/27/65/485572765.db2.gz JKXLFKGVRLWTIX-NJYVYQBISA-N 1 3 343.515 2.230 10 0 EEAEHO OC[C@]1(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCN(Cc2ccccc2)C1 ZINC000679043706 485572769 /nfs/dbraw/zinc/57/27/69/485572769.db2.gz JKXLFKGVRLWTIX-NJYVYQBISA-N 1 3 343.515 2.230 10 0 EEAEHO CN(C)CCn1cc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000673962968 485595453 /nfs/dbraw/zinc/59/54/53/485595453.db2.gz XGQZCZQKYYAJHG-OAHLLOKOSA-N 1 3 333.480 2.038 10 0 EEAEHO CN(C)CCn1cc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cn1 ZINC000673962968 485595460 /nfs/dbraw/zinc/59/54/60/485595460.db2.gz XGQZCZQKYYAJHG-OAHLLOKOSA-N 1 3 333.480 2.038 10 0 EEAEHO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCN2CCC[C@H]2C1 ZINC000171899275 534683426 /nfs/dbraw/zinc/68/34/26/534683426.db2.gz CIBGAZNKTVOUJV-IBGZPJMESA-N 1 3 342.487 2.272 10 0 EEAEHO COC[C@@H](CCC[NH3+])NCc1cc(OC)ccc1Br ZINC000422935600 536596350 /nfs/dbraw/zinc/59/63/50/536596350.db2.gz LCTLLJXJQFQTBA-GFCCVEGCSA-N 1 3 331.254 2.301 10 0 EEAEHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCn1ccccc1=O ZINC000397959695 576122545 /nfs/dbraw/zinc/12/25/45/576122545.db2.gz DFOKGLCWBUMVPY-HKUYNNGSSA-N 1 3 325.456 2.349 10 0 EEAEHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCn1ccccc1=O ZINC000397959695 576122547 /nfs/dbraw/zinc/12/25/47/576122547.db2.gz DFOKGLCWBUMVPY-HKUYNNGSSA-N 1 3 325.456 2.349 10 0 EEAEHO COc1ccc([C@@H](NC(C)C)C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000895697091 684692091 /nfs/dbraw/zinc/69/20/91/684692091.db2.gz KUMHLHAVBPHERF-GOSISDBHSA-N 1 3 333.476 2.287 10 0 EEAEHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)CC1 ZINC000924691729 693170089 /nfs/dbraw/zinc/17/00/89/693170089.db2.gz HEVLPERPJANTMK-SQGPQFPESA-N 1 3 331.504 2.337 10 0 EEAEHO CN(CC[NH2+]CCc1c(F)cccc1Cl)C(=O)[C@H]1CCCN1C ZINC001266660745 1177079471 /nfs/dbraw/zinc/07/94/71/1177079471.db2.gz RLZMOBVCGLWWTQ-MRXNPFEDSA-N 1 3 341.858 2.164 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCCOC(C)C)C1)N(C)C ZINC001267113795 1178272645 /nfs/dbraw/zinc/27/26/45/1178272645.db2.gz SFBJTXGNQYZTRN-IAGOWNOFSA-N 1 3 327.513 2.065 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCCOC(C)C)C1)N(C)C ZINC001267113795 1178272650 /nfs/dbraw/zinc/27/26/50/1178272650.db2.gz SFBJTXGNQYZTRN-IAGOWNOFSA-N 1 3 327.513 2.065 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)CC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001267116380 1178278951 /nfs/dbraw/zinc/27/89/51/1178278951.db2.gz AEFNDKUYZIGLIN-UHFFFAOYSA-N 1 3 329.847 2.367 10 0 EEAEHO CN(CC[NH2+]C[C@H]1CCc2ccccc2C1)C(=O)CN(C)C1CCC1 ZINC001267384241 1178942570 /nfs/dbraw/zinc/94/25/70/1178942570.db2.gz NZGDYVJUVJVRQD-KRWDZBQOSA-N 1 3 343.515 2.324 10 0 EEAEHO Cc1cccc(CCC[NH2+]CCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001267384248 1178942816 /nfs/dbraw/zinc/94/28/16/1178942816.db2.gz OCXHIQQIYHYZHI-UHFFFAOYSA-N 1 3 331.504 2.460 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCc2ccccc2C1)N(C)C ZINC001267459653 1179047935 /nfs/dbraw/zinc/04/79/35/1179047935.db2.gz XWOFTCKYECQDQR-YLJYHZDGSA-N 1 3 345.531 2.426 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(COC)cc1 ZINC001267473184 1179103768 /nfs/dbraw/zinc/10/37/68/1179103768.db2.gz CGAVVHUYOZPPFF-LJQANCHMSA-N 1 3 347.503 2.255 10 0 EEAEHO CC(C)=CCN1CC(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267692768 1180179039 /nfs/dbraw/zinc/17/90/39/1180179039.db2.gz KQLGYHUXHMCTCC-SFHVURJKSA-N 1 3 325.472 2.213 10 0 EEAEHO CC(C)=CCN1CC(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267692768 1180179042 /nfs/dbraw/zinc/17/90/42/1180179042.db2.gz KQLGYHUXHMCTCC-SFHVURJKSA-N 1 3 325.472 2.213 10 0 EEAEHO Cc1cc(CNCCN(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)sn1 ZINC001481246084 1180437142 /nfs/dbraw/zinc/43/71/42/1180437142.db2.gz PGPDNQRVNORKOJ-ZBFHGGJFSA-N 1 3 336.505 2.016 10 0 EEAEHO Cc1cc(CNCCN(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)sn1 ZINC001481246084 1180437146 /nfs/dbraw/zinc/43/71/46/1180437146.db2.gz PGPDNQRVNORKOJ-ZBFHGGJFSA-N 1 3 336.505 2.016 10 0 EEAEHO Cc1cc(CNCC[C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)ncn1 ZINC001268402311 1182499013 /nfs/dbraw/zinc/49/90/13/1182499013.db2.gz GIFQECQRNCTDTA-WBVHZDCISA-N 1 3 347.507 2.034 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1cccc(Cl)c1F ZINC001481877076 1182855184 /nfs/dbraw/zinc/85/51/84/1182855184.db2.gz ZFLNBJZXZAYSHF-ZIAGYGMSSA-N 1 3 341.858 2.415 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1cccc(Cl)c1F ZINC001481877076 1182855191 /nfs/dbraw/zinc/85/51/91/1182855191.db2.gz ZFLNBJZXZAYSHF-ZIAGYGMSSA-N 1 3 341.858 2.415 10 0 EEAEHO Cc1cc(F)ccc1CNC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268540912 1183208916 /nfs/dbraw/zinc/20/89/16/1183208916.db2.gz BPCHFYWBZARAHF-CHABLROBSA-N 1 3 333.451 2.236 10 0 EEAEHO Cc1cc(F)ccc1CNC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268540912 1183208920 /nfs/dbraw/zinc/20/89/20/1183208920.db2.gz BPCHFYWBZARAHF-CHABLROBSA-N 1 3 333.451 2.236 10 0 EEAEHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1ccnc(Cl)c1 ZINC001482107020 1183341828 /nfs/dbraw/zinc/34/18/28/1183341828.db2.gz FKBRPAHJOSWFTG-CYBMUJFWSA-N 1 3 338.883 2.061 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCCC1CCOCC1 ZINC001268716722 1183636137 /nfs/dbraw/zinc/63/61/37/1183636137.db2.gz JJPDQNVNNUAZTQ-FUHWJXTLSA-N 1 3 339.524 2.162 10 0 EEAEHO C[C@H](C(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CC1)N1CCCCCC1 ZINC001269124265 1183983059 /nfs/dbraw/zinc/98/30/59/1183983059.db2.gz HSYMGWNNSBOJAK-FPTQRPOBSA-N 1 3 327.900 2.488 10 0 EEAEHO Cc1ncc(C[NH2+]CC[C@@H]2CCCCN2C(=O)CN(C)C(C)C)o1 ZINC001482460598 1185924834 /nfs/dbraw/zinc/92/48/34/1185924834.db2.gz KGXHLIZDCZOMLC-INIZCTEOSA-N 1 3 336.480 2.184 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccns2)C1 ZINC001482485294 1186206242 /nfs/dbraw/zinc/20/62/42/1186206242.db2.gz UNWMBHMFRPTAQP-HUUCEWRRSA-N 1 3 338.521 2.200 10 0 EEAEHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001671383798 1187009965 /nfs/dbraw/zinc/00/99/65/1187009965.db2.gz FYZIAWLMZHMOFG-QGZVFWFLSA-N 1 3 333.451 2.045 10 0 EEAEHO Cc1ncc(CNC[C@H]2CCC[C@@H]2NC(=O)CCC[NH+]2CCCC2)o1 ZINC001482698928 1187668902 /nfs/dbraw/zinc/66/89/02/1187668902.db2.gz UAKVMDDSDLQORV-AEFFLSMTSA-N 1 3 348.491 2.234 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)CN(C)C1CCC1 ZINC001482838495 1187757520 /nfs/dbraw/zinc/75/75/20/1187757520.db2.gz CGMGUWGJEIWKLQ-ZDUSSCGKSA-N 1 3 338.883 2.204 10 0 EEAEHO CCN(CC[NH2+]CCOC(C)C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001482950298 1187890026 /nfs/dbraw/zinc/89/00/26/1187890026.db2.gz MGUNNJWFWQGJFI-GOSISDBHSA-N 1 3 345.503 2.062 10 0 EEAEHO CC[C@H](C(=O)NC/C=C\C[NH2+][C@@H]1CCc2c1cccc2F)N(C)C ZINC001483022909 1188012277 /nfs/dbraw/zinc/01/22/77/1188012277.db2.gz LUULYNKAVWAUKB-OSFIAYCASA-N 1 3 333.451 2.415 10 0 EEAEHO Cc1cncc(CN[C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001485895158 1193632876 /nfs/dbraw/zinc/63/28/76/1193632876.db2.gz YBAXBLUJLIRPEK-HKUYNNGSSA-N 1 3 346.519 2.447 10 0 EEAEHO Cc1cncc(CN[C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001485895158 1193632877 /nfs/dbraw/zinc/63/28/77/1193632877.db2.gz YBAXBLUJLIRPEK-HKUYNNGSSA-N 1 3 346.519 2.447 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCc1c(F)cccc1F ZINC001409474570 1189791652 /nfs/dbraw/zinc/79/16/52/1189791652.db2.gz PSGWMRPNBHOEDX-KGLIPLIRSA-N 1 3 341.446 2.330 10 0 EEAEHO Cc1cc(C[NH2+]CC(C)(C)CN(C)C(=O)CN(C)C(C)C)sn1 ZINC001409518045 1189971723 /nfs/dbraw/zinc/97/17/23/1189971723.db2.gz ULWZIZHCGFRLDI-UHFFFAOYSA-N 1 3 340.537 2.366 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001485962385 1193660500 /nfs/dbraw/zinc/66/05/00/1193660500.db2.gz XZIUYKBXTNJFLF-HNNXBMFYSA-N 1 3 330.476 2.445 10 0 EEAEHO Cc1cccnc1CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001484011460 1191154439 /nfs/dbraw/zinc/15/44/39/1191154439.db2.gz HFXWLXFTDBNQGC-HKUYNNGSSA-N 1 3 344.503 2.106 10 0 EEAEHO Cc1cccnc1CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001484011460 1191154440 /nfs/dbraw/zinc/15/44/40/1191154440.db2.gz HFXWLXFTDBNQGC-HKUYNNGSSA-N 1 3 344.503 2.106 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CC[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)o1 ZINC001484524018 1191397771 /nfs/dbraw/zinc/39/77/71/1191397771.db2.gz DXLSNZSEEHIJIG-INIZCTEOSA-N 1 3 348.491 2.104 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@@H](CC[NH2+]CCCF)C2)C1 ZINC001484536606 1191404114 /nfs/dbraw/zinc/40/41/14/1191404114.db2.gz ACTVAUCHNMKENO-QAPCUYQASA-N 1 3 345.478 2.387 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001484574785 1191427598 /nfs/dbraw/zinc/42/75/98/1191427598.db2.gz IRAPBFBOIPAPHI-BZSNNMDCSA-N 1 3 339.524 2.160 10 0 EEAEHO CC(C)OCCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485067469 1191635473 /nfs/dbraw/zinc/63/54/73/1191635473.db2.gz OMNHPRGFGSFELI-BZSNNMDCSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)OCCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001485067469 1191635475 /nfs/dbraw/zinc/63/54/75/1191635475.db2.gz OMNHPRGFGSFELI-BZSNNMDCSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001485108303 1191656986 /nfs/dbraw/zinc/65/69/86/1191656986.db2.gz LKPIVJFHEXWWJG-ACBHZAAOSA-N 1 3 331.504 2.300 10 0 EEAEHO Cc1ncc(CN[C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)cn1 ZINC001485147774 1191665512 /nfs/dbraw/zinc/66/55/12/1191665512.db2.gz QOTVCYKEGPGSLO-CABCVRRESA-N 1 3 347.507 2.032 10 0 EEAEHO C[C@@H](NCc1ccc(F)c(F)c1)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001485185354 1191680537 /nfs/dbraw/zinc/68/05/37/1191680537.db2.gz DGINVOBXCSRPBN-CHWSQXEVSA-N 1 3 339.430 2.289 10 0 EEAEHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N(C)C[C@@H](O)c1ccccc1 ZINC001485337060 1191741146 /nfs/dbraw/zinc/74/11/46/1191741146.db2.gz RKJZDJBXMRTIEC-SJLPKXTDSA-N 1 3 347.503 2.031 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCC(C)(C)C ZINC001486359294 1193844898 /nfs/dbraw/zinc/84/48/98/1193844898.db2.gz TZRLYNVXRZLXJH-IRXDYDNUSA-N 1 3 341.540 2.048 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCC(C)(C)C ZINC001486359294 1193844903 /nfs/dbraw/zinc/84/49/03/1193844903.db2.gz TZRLYNVXRZLXJH-IRXDYDNUSA-N 1 3 341.540 2.048 10 0 EEAEHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCOCC1)N(C)C ZINC001272994100 1194302069 /nfs/dbraw/zinc/30/20/69/1194302069.db2.gz WVTZRLJWWOADNB-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NCCC2CC[NH+](C)CC2)cc(Cl)n1 ZINC000828070217 1195692875 /nfs/dbraw/zinc/69/28/75/1195692875.db2.gz AJXKBFZFCPKTEN-HNNXBMFYSA-N 1 3 338.883 2.281 10 0 EEAEHO CN(CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2C1)C1CCC1 ZINC001410196661 1197598281 /nfs/dbraw/zinc/59/82/81/1197598281.db2.gz MLBDLLRUEATRTO-WVFDAVJHSA-N 1 3 339.911 2.440 10 0 EEAEHO CN(CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2C1)C1CCC1 ZINC001410196661 1197598285 /nfs/dbraw/zinc/59/82/85/1197598285.db2.gz MLBDLLRUEATRTO-WVFDAVJHSA-N 1 3 339.911 2.440 10 0 EEAEHO Cc1nc(C(C)C)ccc1CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001410501745 1198056587 /nfs/dbraw/zinc/05/65/87/1198056587.db2.gz RABJCTWTEYXNOM-YJBOKZPZSA-N 1 3 346.519 2.402 10 0 EEAEHO Cc1nc(C(C)C)ccc1CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410501745 1198056595 /nfs/dbraw/zinc/05/65/95/1198056595.db2.gz RABJCTWTEYXNOM-YJBOKZPZSA-N 1 3 346.519 2.402 10 0 EEAEHO Cc1csc([C@H]2CC[N@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)n1 ZINC000872150319 1198057292 /nfs/dbraw/zinc/05/72/92/1198057292.db2.gz ZNJPVIAVPYEYKZ-ULQDDVLXSA-N 1 3 331.485 2.172 10 0 EEAEHO Cc1csc([C@H]2CC[N@@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)n1 ZINC000872150319 1198057304 /nfs/dbraw/zinc/05/73/04/1198057304.db2.gz ZNJPVIAVPYEYKZ-ULQDDVLXSA-N 1 3 331.485 2.172 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1N(CCC(F)(F)F)CC2 ZINC001410914021 1198569010 /nfs/dbraw/zinc/56/90/10/1198569010.db2.gz QTBDDXLKLVJIPR-DZGCQCFKSA-N 1 3 335.414 2.394 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1N(CCC(F)(F)F)CC2 ZINC001410914021 1198569011 /nfs/dbraw/zinc/56/90/11/1198569011.db2.gz QTBDDXLKLVJIPR-DZGCQCFKSA-N 1 3 335.414 2.394 10 0 EEAEHO C[C@@H](Cn1cncn1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886516430 1202517239 /nfs/dbraw/zinc/51/72/39/1202517239.db2.gz HNIJJLSKPRVJJQ-KANFNMMFSA-N 1 3 325.460 2.309 10 0 EEAEHO COCC[NH2+]C1CCC(N(C)C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001275638365 1205457460 /nfs/dbraw/zinc/45/74/60/1205457460.db2.gz AUTRVQRAEQBOTR-UHFFFAOYSA-N 1 3 347.503 2.367 10 0 EEAEHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2Cc2cc(C)nn2C)CC1 ZINC000924656972 1206012571 /nfs/dbraw/zinc/01/25/71/1206012571.db2.gz DXEPZCZBRXRGRY-UYAOXDASSA-N 1 3 347.551 2.057 10 0 EEAEHO CC1(C)C[C@@H](N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925734109 1206147686 /nfs/dbraw/zinc/14/76/86/1206147686.db2.gz NJVQMATYKFGZRN-PNBKFKSVSA-N 1 3 336.501 2.487 10 0 EEAEHO COc1ccc([C@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(OC)c1 ZINC000925859331 1206162074 /nfs/dbraw/zinc/16/20/74/1206162074.db2.gz XRDFOXWDQCEGTN-DZGCQCFKSA-N 1 3 348.443 2.040 10 0 EEAEHO CN1CCOC[C@@H]1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926759589 1206241614 /nfs/dbraw/zinc/24/16/14/1206241614.db2.gz HDJRNVUWALQVIC-VTHDOGFWSA-N 1 3 343.515 2.492 10 0 EEAEHO CN1CCOC[C@@H]1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926759589 1206241615 /nfs/dbraw/zinc/24/16/15/1206241615.db2.gz HDJRNVUWALQVIC-VTHDOGFWSA-N 1 3 343.515 2.492 10 0 EEAEHO c1nc(C2CC[NH+](Cc3[nH]nc4c3COCC4)CC2)n2c1CCCC2 ZINC000930264969 1206545118 /nfs/dbraw/zinc/54/51/18/1206545118.db2.gz BGNAAVRSQIJIOF-UHFFFAOYSA-N 1 3 341.459 2.395 10 0 EEAEHO C[C@@H](NCCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccnn1C ZINC000718009696 1211700820 /nfs/dbraw/zinc/70/08/20/1211700820.db2.gz BUMXJCOFVGRIPT-QGZVFWFLSA-N 1 3 342.487 2.488 10 0 EEAEHO C[NH+](C)CCCC(=O)N1CCC[C@@H]2CN(C/C=C/Cl)CC[C@H]21 ZINC001490984916 1258541463 /nfs/dbraw/zinc/54/14/63/1258541463.db2.gz VGGFAPYVJVMNMY-IBBQAADRSA-N 1 3 327.900 2.394 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001491454986 1259097512 /nfs/dbraw/zinc/09/75/12/1259097512.db2.gz NIXOZZKMKRLSKZ-APWZRJJASA-N 1 3 346.519 2.220 10 0 EEAEHO CC[C@@H](CNC(=O)CC[NH+](C)C)NCc1cccc(Cl)c1F ZINC001495049229 1290154128 /nfs/dbraw/zinc/15/41/28/1290154128.db2.gz IEDYADYNSCIYTP-ZDUSSCGKSA-N 1 3 329.847 2.415 10 0 EEAEHO COc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001488879311 1290272730 /nfs/dbraw/zinc/27/27/30/1290272730.db2.gz AHVWQRWKJHMTES-QAQDUYKDSA-N 1 3 333.476 2.020 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cncc(C)c2)C1 ZINC001488961064 1290280974 /nfs/dbraw/zinc/28/09/74/1290280974.db2.gz DICNLJRSQSWZSO-FUHWJXTLSA-N 1 3 332.492 2.106 10 0 EEAEHO CCCCOCC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001489238450 1290487520 /nfs/dbraw/zinc/48/75/20/1290487520.db2.gz MADNRAPYJMUNTN-MRXNPFEDSA-N 1 3 336.480 2.130 10 0 EEAEHO Cc1ccccc1CN1CCCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852858340 1292217569 /nfs/dbraw/zinc/21/75/69/1292217569.db2.gz ZDFWNMWBRBQKFG-UHFFFAOYSA-N 1 3 327.472 2.339 10 0 EEAEHO CCc1cccc(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863549941 1296329060 /nfs/dbraw/zinc/32/90/60/1296329060.db2.gz UXVVRAJRHXTKDV-MSOLQXFVSA-N 1 3 329.444 2.006 10 0 EEAEHO Cc1csc(CNCCC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001277334778 1302475299 /nfs/dbraw/zinc/47/52/99/1302475299.db2.gz APOSWAMUTZQPPI-ZFWWWQNUSA-N 1 3 338.521 2.168 10 0 EEAEHO Cc1csc(CNCCC[C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001277334778 1302475317 /nfs/dbraw/zinc/47/53/17/1302475317.db2.gz APOSWAMUTZQPPI-ZFWWWQNUSA-N 1 3 338.521 2.168 10 0 EEAEHO C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)NCc1cccnc1 ZINC001491561562 1304780639 /nfs/dbraw/zinc/78/06/39/1304780639.db2.gz YWRBOJPVEHDLLF-APWZRJJASA-N 1 3 344.503 2.473 10 0 EEAEHO C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)NCc1cccnc1 ZINC001491561562 1304780647 /nfs/dbraw/zinc/78/06/47/1304780647.db2.gz YWRBOJPVEHDLLF-APWZRJJASA-N 1 3 344.503 2.473 10 0 EEAEHO C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1CCOCc1ccccc1 ZINC001278520036 1317127129 /nfs/dbraw/zinc/12/71/29/1317127129.db2.gz BSODZGNZNMPVQV-HKUYNNGSSA-N 1 3 347.503 2.124 10 0 EEAEHO CCCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C(F)(F)F ZINC001278705834 1317805030 /nfs/dbraw/zinc/80/50/30/1317805030.db2.gz ZOQHEYQKVSJPJS-ZIAGYGMSSA-N 1 3 349.441 2.497 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCOC2CCCCCC2)C1 ZINC001265568055 1323223364 /nfs/dbraw/zinc/22/33/64/1323223364.db2.gz IHAZBCQCUHJAMJ-IYBDPMFKSA-N 1 3 348.491 2.237 10 0 EEAEHO CC(C)OCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001265905178 1323474635 /nfs/dbraw/zinc/47/46/35/1323474635.db2.gz CIIYIZOHNMMWHV-KRWDZBQOSA-N 1 3 339.524 2.257 10 0 EEAEHO CC[C@H](C(=O)NCC1=CC[N@H+](CCc2ccccc2)CC1)N(C)C ZINC001279581803 1323945624 /nfs/dbraw/zinc/94/56/24/1323945624.db2.gz JVTBUOILLMNKLV-LJQANCHMSA-N 1 3 329.488 2.318 10 0 EEAEHO CC[C@H](C(=O)NCC1=CC[N@@H+](CCc2ccccc2)CC1)N(C)C ZINC001279581803 1323945625 /nfs/dbraw/zinc/94/56/25/1323945625.db2.gz JVTBUOILLMNKLV-LJQANCHMSA-N 1 3 329.488 2.318 10 0 EEAEHO CCC1([NH2+]CCOC2CCC2)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001281049601 1324744273 /nfs/dbraw/zinc/74/42/73/1324744273.db2.gz GNLUJPKDVXBDNX-UHFFFAOYSA-N 1 3 339.524 2.257 10 0 EEAEHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC1CCOCC1)N(C)C ZINC001281882296 1325498154 /nfs/dbraw/zinc/49/81/54/1325498154.db2.gz WVTZRLJWWOADNB-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CN(C)C1(C(=O)NC2CC(C[NH2+]CC=C(Cl)Cl)C2)CCC1 ZINC001282014910 1325570303 /nfs/dbraw/zinc/57/03/03/1325570303.db2.gz OTVMMHIPGKVIAE-UHFFFAOYSA-N 1 3 334.291 2.274 10 0 EEAEHO CCOCC[NH2+]CC1(NC(=O)CN2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001282636653 1325755858 /nfs/dbraw/zinc/75/58/58/1325755858.db2.gz RIIGNZBVEHWIMW-IAGOWNOFSA-N 1 3 339.524 2.304 10 0 EEAEHO O=C(CCCC[NH+]1CCCC1)NCC1[C@H]2CN(C/C=C/Cl)C[C@@H]12 ZINC001282894148 1325825569 /nfs/dbraw/zinc/82/55/69/1325825569.db2.gz JPPHTHXSCIGOSX-QBZJXAITSA-N 1 3 339.911 2.299 10 0 EEAEHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CCCCC(F)(F)F ZINC001283681816 1326199419 /nfs/dbraw/zinc/19/94/19/1326199419.db2.gz YZVJFVMMRLSITP-ZIAGYGMSSA-N 1 3 337.430 2.497 10 0 EEAEHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCOCC1)N(C)C ZINC001317434492 1332238024 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ZINC001438164518 1090677013 /nfs/dbraw/zinc/67/70/13/1090677013.db2.gz XVQHGIILKMDKOS-FVXMCEBTSA-N 1 3 341.499 2.480 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NCC2CN(CC/C=C\c3ccccc3)C2)C1 ZINC001438164518 1090677015 /nfs/dbraw/zinc/67/70/15/1090677015.db2.gz XVQHGIILKMDKOS-FVXMCEBTSA-N 1 3 341.499 2.480 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)NCc1ccns1 ZINC001438320392 1090795753 /nfs/dbraw/zinc/79/57/53/1090795753.db2.gz DPGZPOPSHDIICM-ZBFHGGJFSA-N 1 3 338.521 2.248 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)NCc1ccns1 ZINC001438320392 1090795758 /nfs/dbraw/zinc/79/57/58/1090795758.db2.gz DPGZPOPSHDIICM-ZBFHGGJFSA-N 1 3 338.521 2.248 10 0 EEAEHO CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)NCc1ccns1 ZINC001438344312 1090821336 /nfs/dbraw/zinc/82/13/36/1090821336.db2.gz PCLKJOVIKBJTNO-GJZGRUSLSA-N 1 3 338.521 2.392 10 0 EEAEHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001438537595 1091029814 /nfs/dbraw/zinc/02/98/14/1091029814.db2.gz CGKOKDPJZHHZEC-KDOFPFPSSA-N 1 3 330.476 2.350 10 0 EEAEHO C[C@@H](CNCc1ccccn1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001445592396 1091383783 /nfs/dbraw/zinc/38/37/83/1091383783.db2.gz BOQBUWIJFPVDAN-QFBILLFUSA-N 1 3 344.503 2.473 10 0 EEAEHO C[C@@H](CNCc1ccccn1)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001445592396 1091383793 /nfs/dbraw/zinc/38/37/93/1091383793.db2.gz BOQBUWIJFPVDAN-QFBILLFUSA-N 1 3 344.503 2.473 10 0 EEAEHO CC(C)Oc1ccccc1CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439178594 1091824970 /nfs/dbraw/zinc/82/49/70/1091824970.db2.gz OLOOXGUMFUHURU-NVXWUHKLSA-N 1 3 333.476 2.020 10 0 EEAEHO CC(C)Oc1ccccc1CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439178594 1091824976 /nfs/dbraw/zinc/82/49/76/1091824976.db2.gz OLOOXGUMFUHURU-NVXWUHKLSA-N 1 3 333.476 2.020 10 0 EEAEHO C[C@@H](CNCc1cncs1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001439212986 1091856627 /nfs/dbraw/zinc/85/66/27/1091856627.db2.gz GPWFMIGCLDTVCN-XJKSGUPXSA-N 1 3 336.505 2.144 10 0 EEAEHO C[C@@H](CNCc1cncs1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001439212986 1091856633 /nfs/dbraw/zinc/85/66/33/1091856633.db2.gz GPWFMIGCLDTVCN-XJKSGUPXSA-N 1 3 336.505 2.144 10 0 EEAEHO C[C@H](NC1(CNC(=O)CC[NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC001439644092 1092567434 /nfs/dbraw/zinc/56/74/34/1092567434.db2.gz YIXHKZDUEDJVJD-LBPRGKRZSA-N 1 3 325.403 2.216 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1([NH2+]CCc2ccc(F)c(F)c2)CC1 ZINC001439676521 1092617524 /nfs/dbraw/zinc/61/75/24/1092617524.db2.gz MOGRJNKSMOLLGT-UHFFFAOYSA-N 1 3 339.430 2.086 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](CC2CC2)CCC1(F)F ZINC001439975054 1093091205 /nfs/dbraw/zinc/09/12/05/1093091205.db2.gz QOJAIYLPUWCDOO-CABCVRRESA-N 1 3 349.441 2.150 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](CC2CC2)CCC1(F)F ZINC001439975054 1093091210 /nfs/dbraw/zinc/09/12/10/1093091210.db2.gz QOJAIYLPUWCDOO-CABCVRRESA-N 1 3 349.441 2.150 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC2CC(C)C2)CCC1(F)F ZINC001439985097 1093103819 /nfs/dbraw/zinc/10/38/19/1093103819.db2.gz ZRPYXRGPGZRFGC-UYSNPLJNSA-N 1 3 345.478 2.448 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CC2CC(C)C2)CCC1(F)F ZINC001439985097 1093103821 /nfs/dbraw/zinc/10/38/21/1093103821.db2.gz ZRPYXRGPGZRFGC-UYSNPLJNSA-N 1 3 345.478 2.448 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1oc(C)nc1C)C2 ZINC001440111386 1093171850 /nfs/dbraw/zinc/17/18/50/1093171850.db2.gz NVBLWOVZAMRZPS-BBWFWOEESA-N 1 3 348.491 2.102 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1oc(C)nc1C)C2 ZINC001440111386 1093171854 /nfs/dbraw/zinc/17/18/54/1093171854.db2.gz NVBLWOVZAMRZPS-BBWFWOEESA-N 1 3 348.491 2.102 10 0 EEAEHO Cc1cncc(C[NH2+]C2(CNC(=O)CN3[C@H](C)CC[C@H]3C)CCC2)c1 ZINC001440357330 1093513512 /nfs/dbraw/zinc/51/35/12/1093513512.db2.gz SCFOUWYDNCAFBY-IAGOWNOFSA-N 1 3 344.503 2.391 10 0 EEAEHO Cc1ccncc1CN(C)CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001440466425 1093689740 /nfs/dbraw/zinc/68/97/40/1093689740.db2.gz ALRLNKLCZXWDAT-QGZVFWFLSA-N 1 3 332.492 2.012 10 0 EEAEHO Cc1ccncc1CN(C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001440466425 1093689741 /nfs/dbraw/zinc/68/97/41/1093689741.db2.gz ALRLNKLCZXWDAT-QGZVFWFLSA-N 1 3 332.492 2.012 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2N(C)C)[C@@H]1C ZINC001440500097 1093740713 /nfs/dbraw/zinc/74/07/13/1093740713.db2.gz ZDPSXYFMVSMEIX-AEFFLSMTSA-N 1 3 346.519 2.173 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2N(C)C)[C@@H]1C ZINC001440500097 1093740715 /nfs/dbraw/zinc/74/07/15/1093740715.db2.gz ZDPSXYFMVSMEIX-AEFFLSMTSA-N 1 3 346.519 2.173 10 0 EEAEHO Cc1ccncc1CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001448710029 1093778880 /nfs/dbraw/zinc/77/88/80/1093778880.db2.gz NBQKKYGYEVKCRS-IKGGRYGDSA-N 1 3 332.492 2.057 10 0 EEAEHO Cc1ccncc1CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001448710029 1093778882 /nfs/dbraw/zinc/77/88/82/1093778882.db2.gz NBQKKYGYEVKCRS-IKGGRYGDSA-N 1 3 332.492 2.057 10 0 EEAEHO COc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)c1 ZINC001449016909 1094018159 /nfs/dbraw/zinc/01/81/59/1094018159.db2.gz NEJZSBOGQLKSSH-NVXWUHKLSA-N 1 3 333.476 2.114 10 0 EEAEHO Cc1cccnc1CN1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001449019316 1094022464 /nfs/dbraw/zinc/02/24/64/1094022464.db2.gz WNVYZAOANWNWNF-ICSRJNTNSA-N 1 3 344.503 2.345 10 0 EEAEHO C[NH+](C)CCCC(=O)N1CCC[C@@H]2CN(Cc3cccnc3)CC[C@H]21 ZINC001441480654 1095151344 /nfs/dbraw/zinc/15/13/44/1095151344.db2.gz PXMZJLBNTVHLPT-RTBURBONSA-N 1 3 344.503 2.236 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3conc3C)[C@H]2C1 ZINC001441872828 1095988503 /nfs/dbraw/zinc/98/85/03/1095988503.db2.gz MSHNTLCTTRWCPY-SZMVWBNQSA-N 1 3 348.491 2.042 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1cc(C)ccc1OC ZINC001441876057 1095995100 /nfs/dbraw/zinc/99/51/00/1095995100.db2.gz YMBMABCETLLGMN-SJLPKXTDSA-N 1 3 347.503 2.472 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1cc(C)ccc1OC ZINC001441876057 1095995108 /nfs/dbraw/zinc/99/51/08/1095995108.db2.gz YMBMABCETLLGMN-SJLPKXTDSA-N 1 3 347.503 2.472 10 0 EEAEHO Cc1nn(C(C)C)cc1CN[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001442152087 1096404612 /nfs/dbraw/zinc/40/46/12/1096404612.db2.gz YUORIXLJQSFHPF-MRXNPFEDSA-N 1 3 349.523 2.243 10 0 EEAEHO Cc1nsc(C)c1CNC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001442185009 1096455779 /nfs/dbraw/zinc/45/57/79/1096455779.db2.gz QOPPUHLYAPMUTO-HNNXBMFYSA-N 1 3 340.537 2.332 10 0 EEAEHO CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1ccc2cc[nH]c2c1 ZINC001442577576 1096940655 /nfs/dbraw/zinc/94/06/55/1096940655.db2.gz QNELTTRPPGFUPR-MRXNPFEDSA-N 1 3 328.460 2.058 10 0 EEAEHO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1ccc2cc[nH]c2c1 ZINC001442577576 1096940659 /nfs/dbraw/zinc/94/06/59/1096940659.db2.gz QNELTTRPPGFUPR-MRXNPFEDSA-N 1 3 328.460 2.058 10 0 EEAEHO C[N@H+](CCCF)C[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001443336535 1097850058 /nfs/dbraw/zinc/85/00/58/1097850058.db2.gz QHLUIVGMNKVELF-MAUKXSAKSA-N 1 3 345.478 2.339 10 0 EEAEHO C[N@@H+](CCCF)C[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001443336535 1097850065 /nfs/dbraw/zinc/85/00/65/1097850065.db2.gz QHLUIVGMNKVELF-MAUKXSAKSA-N 1 3 345.478 2.339 10 0 EEAEHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001444049470 1098575625 /nfs/dbraw/zinc/57/56/25/1098575625.db2.gz ZTAYIWBROQAQSJ-SFHVURJKSA-N 1 3 333.476 2.041 10 0 EEAEHO Cc1nc(CNC[C@@](C)(NC(=O)[C@@H]2CCCC[N@H+]2C)C2CC2)c(C)o1 ZINC001444126562 1098661749 /nfs/dbraw/zinc/66/17/49/1098661749.db2.gz VHWGBKKMPPCODC-PKOBYXMFSA-N 1 3 348.491 2.150 10 0 EEAEHO Cc1nc(CNC[C@@](C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C2CC2)c(C)o1 ZINC001444126562 1098661754 /nfs/dbraw/zinc/66/17/54/1098661754.db2.gz VHWGBKKMPPCODC-PKOBYXMFSA-N 1 3 348.491 2.150 10 0 EEAEHO CC(C)N(C)CC(=O)NCCC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001444232283 1098794898 /nfs/dbraw/zinc/79/48/98/1098794898.db2.gz GELQSMLGXSEREI-GOSISDBHSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H](CNCc1nc2ccccc2o1)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001444394633 1098990257 /nfs/dbraw/zinc/99/02/57/1098990257.db2.gz XZQLSRXPEJLNLK-LSDHHAIUSA-N 1 3 344.459 2.012 10 0 EEAEHO C[C@@H](CNCc1nc2ccccc2o1)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001444394633 1098990264 /nfs/dbraw/zinc/99/02/64/1098990264.db2.gz XZQLSRXPEJLNLK-LSDHHAIUSA-N 1 3 344.459 2.012 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1cncs1 ZINC001479833488 1099115746 /nfs/dbraw/zinc/11/57/46/1099115746.db2.gz JTCCMBDPULUXLK-GDBMZVCRSA-N 1 3 338.521 2.344 10 0 EEAEHO COCCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001479909016 1099302874 /nfs/dbraw/zinc/30/28/74/1099302874.db2.gz WEVMVZLXXWEPJY-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO COCCCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001479909016 1099302879 /nfs/dbraw/zinc/30/28/79/1099302879.db2.gz WEVMVZLXXWEPJY-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001480158684 1099730729 /nfs/dbraw/zinc/73/07/29/1099730729.db2.gz XOVFKNNFEYXAQM-AYMQEEERSA-N 1 3 331.451 2.184 10 0 EEAEHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1cc(F)cc(F)c1 ZINC001480527540 1100359263 /nfs/dbraw/zinc/35/92/63/1100359263.db2.gz WPMFIJLIBXZOEU-YDHLFZDLSA-N 1 3 339.430 2.289 10 0 EEAEHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1cc(F)cc(F)c1 ZINC001480527540 1100359271 /nfs/dbraw/zinc/35/92/71/1100359271.db2.gz WPMFIJLIBXZOEU-YDHLFZDLSA-N 1 3 339.430 2.289 10 0 EEAEHO CC(C)OCCN1CC[C@@](C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001446552290 1101023468 /nfs/dbraw/zinc/02/34/68/1101023468.db2.gz ILAYBRFOOXYCPZ-PKOBYXMFSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1cccnc1C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001495348715 1101060886 /nfs/dbraw/zinc/06/08/86/1101060886.db2.gz YPLSUZKGOXAGTL-MJGOQNOKSA-N 1 3 344.503 2.203 10 0 EEAEHO CCOCC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001495479657 1101188391 /nfs/dbraw/zinc/18/83/91/1101188391.db2.gz NKAXGRFRGZBRDW-WGSAOQKQSA-N 1 3 347.503 2.415 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC001495549148 1101263578 /nfs/dbraw/zinc/26/35/78/1101263578.db2.gz VTLSKVQLDGKLKE-RTBURBONSA-N 1 3 329.488 2.212 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cccc(OC)c2)C1 ZINC001446939778 1101625920 /nfs/dbraw/zinc/62/59/20/1101625920.db2.gz INTMRLCLJFPRCX-AEFFLSMTSA-N 1 3 347.503 2.221 10 0 EEAEHO C[NH+](C)CC1(C(=O)NCC2(NCc3cncs3)CCCC2)CC1 ZINC001495939665 1101793959 /nfs/dbraw/zinc/79/39/59/1101793959.db2.gz VYBVDSMNQMCMMG-UHFFFAOYSA-N 1 3 336.505 2.004 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@H]2C[N@H+](CCCF)C[C@H]21)N(CC)CC ZINC001447041815 1101830691 /nfs/dbraw/zinc/83/06/91/1101830691.db2.gz IDIUDXGRHHGBEJ-GVDBMIGSSA-N 1 3 327.488 2.389 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@H]2C[N@@H+](CCCF)C[C@H]21)N(CC)CC ZINC001447041815 1101830711 /nfs/dbraw/zinc/83/07/11/1101830711.db2.gz IDIUDXGRHHGBEJ-GVDBMIGSSA-N 1 3 327.488 2.389 10 0 EEAEHO CCc1cccc(OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001496029544 1101954277 /nfs/dbraw/zinc/95/42/77/1101954277.db2.gz YNLNNMQYFHIRHE-APWZRJJASA-N 1 3 347.503 2.159 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](CC[C@@H]2CCCCO2)CC1 ZINC001447322191 1102442889 /nfs/dbraw/zinc/44/28/89/1102442889.db2.gz PWMLJOALCBZCAH-MSOLQXFVSA-N 1 3 339.524 2.258 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)CC1 ZINC001447322191 1102442892 /nfs/dbraw/zinc/44/28/92/1102442892.db2.gz PWMLJOALCBZCAH-MSOLQXFVSA-N 1 3 339.524 2.258 10 0 EEAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C/CNCc1cccc(F)c1 ZINC001497598122 1102724830 /nfs/dbraw/zinc/72/48/30/1102724830.db2.gz ACLPMHYMFMKSKW-DCKQQPRJSA-N 1 3 333.451 2.462 10 0 EEAEHO C[N@H+]1CCC[C@H]1CCC(=O)NC/C=C/CNCc1cccc(F)c1 ZINC001497598122 1102724833 /nfs/dbraw/zinc/72/48/33/1102724833.db2.gz ACLPMHYMFMKSKW-DCKQQPRJSA-N 1 3 333.451 2.462 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C/C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001497749152 1103015883 /nfs/dbraw/zinc/01/58/83/1103015883.db2.gz DMYAUFDPPXXURX-WHLIDYPQSA-N 1 3 341.499 2.149 10 0 EEAEHO COCCN(C)C[C@@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001447787480 1103343787 /nfs/dbraw/zinc/34/37/87/1103343787.db2.gz ZODDQNPNMPNXNF-KRWDZBQOSA-N 1 3 339.524 2.209 10 0 EEAEHO COCCN(C)C[C@@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001447787480 1103343797 /nfs/dbraw/zinc/34/37/97/1103343797.db2.gz ZODDQNPNMPNXNF-KRWDZBQOSA-N 1 3 339.524 2.209 10 0 EEAEHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1CN(CCc2ccccc2)C1 ZINC001494632823 1104218103 /nfs/dbraw/zinc/21/81/03/1104218103.db2.gz JNRUKPSZUGOPRQ-IAGOWNOFSA-N 1 3 329.488 2.150 10 0 EEAEHO Cc1cccc(OCC[N@@H+](C)C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)c1 ZINC001498380570 1107424285 /nfs/dbraw/zinc/42/42/85/1107424285.db2.gz INNNRWIOXXNHPH-ZWKOTPCHSA-N 1 3 347.503 2.152 10 0 EEAEHO Cc1cccc(OCC[N@H+](C)C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)c1 ZINC001498380570 1107424292 /nfs/dbraw/zinc/42/42/92/1107424292.db2.gz INNNRWIOXXNHPH-ZWKOTPCHSA-N 1 3 347.503 2.152 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCNCc1ccc(F)cn1 ZINC001498557094 1107716361 /nfs/dbraw/zinc/71/63/61/1107716361.db2.gz YOEIMHJODKOGFK-KRWDZBQOSA-N 1 3 336.455 2.033 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCCNCc1ccc(F)cn1 ZINC001498557094 1107716376 /nfs/dbraw/zinc/71/63/76/1107716376.db2.gz YOEIMHJODKOGFK-KRWDZBQOSA-N 1 3 336.455 2.033 10 0 EEAEHO Cc1ncccc1C[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001498800368 1108128288 /nfs/dbraw/zinc/12/82/88/1108128288.db2.gz WTASJIGTAKSQOM-SFHVURJKSA-N 1 3 344.503 2.249 10 0 EEAEHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CNCc2sccc2Cl)C2CC2)C1 ZINC001498864931 1108243826 /nfs/dbraw/zinc/24/38/26/1108243826.db2.gz UUADZLBAQIUHCR-OCCSQVGLSA-N 1 3 341.908 2.338 10 0 EEAEHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CNCc2sccc2Cl)C2CC2)C1 ZINC001498864931 1108243836 /nfs/dbraw/zinc/24/38/36/1108243836.db2.gz UUADZLBAQIUHCR-OCCSQVGLSA-N 1 3 341.908 2.338 10 0 EEAEHO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)sn1 ZINC001501090718 1113195307 /nfs/dbraw/zinc/19/53/07/1113195307.db2.gz HAUUZVGAAVWYQJ-LSDHHAIUSA-N 1 3 338.521 2.118 10 0 EEAEHO O=C(N(CCNC/C=C\Cl)Cc1ccccc1)C12CC[NH+](CC1)C2 ZINC001501199869 1113239158 /nfs/dbraw/zinc/23/91/58/1113239158.db2.gz GLVWITKHPLZXIL-WTKPLQERSA-N 1 3 347.890 2.453 10 0 EEAEHO Cc1cc(CNC2(CNC(=O)C34CCC[NH+]3CCC4)CCC2)sn1 ZINC001501980063 1113546322 /nfs/dbraw/zinc/54/63/22/1113546322.db2.gz SZPURYXPAURJRJ-UHFFFAOYSA-N 1 3 348.516 2.208 10 0 EEAEHO CCCN(C)CC(=O)N1CCC(C)([NH2+]Cc2oc(C)nc2C)CC1 ZINC001502805853 1113806696 /nfs/dbraw/zinc/80/66/96/1113806696.db2.gz XHCCUNUMVHZGKK-UHFFFAOYSA-N 1 3 336.480 2.104 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@H]1CN(CCc2ccccc2F)CC1(C)C ZINC001506749147 1114862355 /nfs/dbraw/zinc/86/23/55/1114862355.db2.gz OTLNAKAJAQPHEF-KRWDZBQOSA-N 1 3 335.467 2.147 10 0 EEAEHO C[N@H+](CCOc1ccccc1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001506967919 1115018222 /nfs/dbraw/zinc/01/82/22/1115018222.db2.gz UYVAXOABKNEIOQ-UHFFFAOYSA-N 1 3 345.487 2.084 10 0 EEAEHO C[N@@H+](CCOc1ccccc1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001506967919 1115018231 /nfs/dbraw/zinc/01/82/31/1115018231.db2.gz UYVAXOABKNEIOQ-UHFFFAOYSA-N 1 3 345.487 2.084 10 0 EEAEHO Cc1ccncc1C[NH+]1CCC([C@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001508089344 1115417497 /nfs/dbraw/zinc/41/74/97/1115417497.db2.gz IXKZLXMZOOIHHO-KRWDZBQOSA-N 1 3 346.519 2.447 10 0 EEAEHO CC[N@H+](C)CCC(=O)NCC1=CCN(CCc2ccccc2F)CC1 ZINC001508226890 1115452760 /nfs/dbraw/zinc/45/27/60/1115452760.db2.gz DKZRQYUVNDZKLN-UHFFFAOYSA-N 1 3 347.478 2.458 10 0 EEAEHO CC[N@@H+](C)CCC(=O)NCC1=CCN(CCc2ccccc2F)CC1 ZINC001508226890 1115452761 /nfs/dbraw/zinc/45/27/61/1115452761.db2.gz DKZRQYUVNDZKLN-UHFFFAOYSA-N 1 3 347.478 2.458 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CCC[C@H](C)O)CCCC1 ZINC001568234861 1124377754 /nfs/dbraw/zinc/37/77/54/1124377754.db2.gz GOTLKJDKMRYPAZ-DLBZAZTESA-N 1 3 339.524 2.039 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]CCc1ccc(F)c(F)c1 ZINC001568321038 1124419280 /nfs/dbraw/zinc/41/92/80/1124419280.db2.gz SYRPSOFNJSAJPI-CQSZACIVSA-N 1 3 341.446 2.284 10 0 EEAEHO CC(C)OCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001568533453 1124596684 /nfs/dbraw/zinc/59/66/84/1124596684.db2.gz ROWDBMXLPNMEKB-IAGOWNOFSA-N 1 3 339.524 2.160 10 0 EEAEHO Cc1cc(CNCC[C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)on1 ZINC001568697328 1124711738 /nfs/dbraw/zinc/71/17/38/1124711738.db2.gz KADUPHAHEUPJDC-AWEZNQCLSA-N 1 3 348.491 2.089 10 0 EEAEHO CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ccncc1Cl)N(C)C ZINC001569257629 1125199640 /nfs/dbraw/zinc/19/96/40/1125199640.db2.gz JZAKNPFUQCQJHB-OAHLLOKOSA-N 1 3 326.872 2.013 10 0 EEAEHO COCC[NH+](CCOC)CC[C@@H](N)c1ccccc1Br ZINC000054022005 214210537 /nfs/dbraw/zinc/21/05/37/214210537.db2.gz BLYLWXCLVQYXQP-OAHLLOKOSA-N 1 3 345.281 2.434 10 0 EEAEHO Cc1cc(CNC2CC[NH+](CCC(=O)N(C)C)CC2)cc(C)c1O ZINC000348010311 539854325 /nfs/dbraw/zinc/85/43/25/539854325.db2.gz RMYJEAUARAOVBS-UHFFFAOYSA-N 1 3 333.476 2.041 10 0 EEAEHO CC(C)(C)N1CCC([NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000268868717 252318666 /nfs/dbraw/zinc/31/86/66/252318666.db2.gz XCSNRLNKQFOWIS-UHFFFAOYSA-N 1 3 329.444 2.135 10 0 EEAEHO COCCN1CCC[C@@H]1CN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422718331 285030159 /nfs/dbraw/zinc/03/01/59/285030159.db2.gz WYYHUZMWVMBMDB-YZGWKJHDSA-N 1 3 347.503 2.189 10 0 EEAEHO CCOC(=O)C1CCC(O)(CN2CC[C@H](C[NH+](CC)CC)C2)CC1 ZINC000190918670 256004122 /nfs/dbraw/zinc/00/41/22/256004122.db2.gz CMDJLCYADQQMPK-LRYGQEGESA-N 1 3 340.508 2.135 10 0 EEAEHO CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@H](CN(CC)CC)C2)CC1 ZINC000190918670 256004124 /nfs/dbraw/zinc/00/41/24/256004124.db2.gz CMDJLCYADQQMPK-LRYGQEGESA-N 1 3 340.508 2.135 10 0 EEAEHO CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@H](CN(CC)CC)C2)CC1 ZINC000190918670 256004126 /nfs/dbraw/zinc/00/41/26/256004126.db2.gz CMDJLCYADQQMPK-LRYGQEGESA-N 1 3 340.508 2.135 10 0 EEAEHO COc1cnccc1N1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000357677252 153284800 /nfs/dbraw/zinc/28/48/00/153284800.db2.gz SPSWZDGAHPZPGN-INIZCTEOSA-N 1 3 346.475 2.003 10 0 EEAEHO COc1cnccc1N1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000357677252 153284801 /nfs/dbraw/zinc/28/48/01/153284801.db2.gz SPSWZDGAHPZPGN-INIZCTEOSA-N 1 3 346.475 2.003 10 0 EEAEHO CC(C)(C)[C@@H](O)CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000289357455 275111205 /nfs/dbraw/zinc/11/12/05/275111205.db2.gz GWAGGAKLBXQQPN-UXHICEINSA-N 1 3 345.531 2.286 10 0 EEAEHO CC(C)(C)[C@@H](O)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000289357455 275111206 /nfs/dbraw/zinc/11/12/06/275111206.db2.gz GWAGGAKLBXQQPN-UXHICEINSA-N 1 3 345.531 2.286 10 0 EEAEHO C[C@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1CNC1 ZINC000422867873 279456967 /nfs/dbraw/zinc/45/69/67/279456967.db2.gz TZOISXKUUAGANL-NSHDSACASA-N 1 3 328.382 2.267 10 0 EEAEHO CN1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1c1ccccc1 ZINC000297030255 294133643 /nfs/dbraw/zinc/13/36/43/294133643.db2.gz LXIDKVLEFQIWEQ-HDDXRBDOSA-N 1 3 342.487 2.356 10 0 EEAEHO CN1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccccc1 ZINC000297030255 294133647 /nfs/dbraw/zinc/13/36/47/294133647.db2.gz LXIDKVLEFQIWEQ-HDDXRBDOSA-N 1 3 342.487 2.356 10 0 EEAEHO CN1CC[C@H](NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000333658692 312179162 /nfs/dbraw/zinc/17/91/62/312179162.db2.gz WSNDSWJKCKKOMH-PJVZLEMVSA-N 1 3 342.487 2.201 10 0 EEAEHO CC1(C)C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC[C@@H]1C(F)(F)F ZINC000414758237 313078713 /nfs/dbraw/zinc/07/87/13/313078713.db2.gz MKOBEZCKJKSBPE-STQMWFEESA-N 1 3 335.414 2.094 10 0 EEAEHO CC1(C)C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC[C@@H]1C(F)(F)F ZINC000414758237 313078717 /nfs/dbraw/zinc/07/87/17/313078717.db2.gz MKOBEZCKJKSBPE-STQMWFEESA-N 1 3 335.414 2.094 10 0 EEAEHO CC(C)[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000445523402 315357531 /nfs/dbraw/zinc/35/75/31/315357531.db2.gz ZUZHHTFMNTXMQG-MRXNPFEDSA-N 1 3 336.524 2.233 10 0 EEAEHO CN(C(=O)NCc1ccccc1CN1CCCCC1)C1CC([NH3+])C1 ZINC000515143176 316463887 /nfs/dbraw/zinc/46/38/87/316463887.db2.gz XCQMYKONEOTEBK-UHFFFAOYSA-N 1 3 330.476 2.304 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@H]1CCCc2ccccc21 ZINC000531357655 317788949 /nfs/dbraw/zinc/78/89/49/317788949.db2.gz PRWYOTDZGJYKRG-GOSISDBHSA-N 1 3 331.504 2.448 10 0 EEAEHO CN(CCC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccncc1 ZINC000542783876 318139785 /nfs/dbraw/zinc/13/97/85/318139785.db2.gz FZMWGGSHMLJIFC-KRWDZBQOSA-N 1 3 330.476 2.098 10 0 EEAEHO CN(CCC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccncc1 ZINC000542783876 318139787 /nfs/dbraw/zinc/13/97/87/318139787.db2.gz FZMWGGSHMLJIFC-KRWDZBQOSA-N 1 3 330.476 2.098 10 0 EEAEHO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccn(CCN(C)C)n1 ZINC000576238816 320154524 /nfs/dbraw/zinc/15/45/24/320154524.db2.gz JRYVHTVWEAZPEU-UHFFFAOYSA-N 1 3 349.523 2.171 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000581833322 324326388 /nfs/dbraw/zinc/32/63/88/324326388.db2.gz JIODEHNWJMSJIH-HKUYNNGSSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000581833322 324326391 /nfs/dbraw/zinc/32/63/91/324326391.db2.gz JIODEHNWJMSJIH-HKUYNNGSSA-N 1 3 329.488 2.451 10 0 EEAEHO CC1=CCN(CCNC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000355070180 465222402 /nfs/dbraw/zinc/22/24/02/465222402.db2.gz CQTMCTHODGYNPJ-GOSISDBHSA-N 1 3 348.466 2.380 10 0 EEAEHO NC(=O)C1CCN(CCC[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000071852310 463440890 /nfs/dbraw/zinc/44/08/90/463440890.db2.gz FRGQKPIXHKGSFA-UHFFFAOYSA-N 1 3 343.393 2.382 10 0 EEAEHO CN1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000108544321 463613227 /nfs/dbraw/zinc/61/32/27/463613227.db2.gz PMWVTNWRPRVEOL-IBGZPJMESA-N 1 3 344.503 2.423 10 0 EEAEHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCCN(C2CC2)CC1 ZINC000194673781 463906957 /nfs/dbraw/zinc/90/69/57/463906957.db2.gz GPPUDTJYTXHPSC-BRWVUGGUSA-N 1 3 336.524 2.233 10 0 EEAEHO Cc1cccn2c(CN(C)CC3CC[NH+](C[C@H](C)O)CC3)cnc12 ZINC000179516841 464150195 /nfs/dbraw/zinc/15/01/95/464150195.db2.gz NBVPZBPHSJOBEW-INIZCTEOSA-N 1 3 330.476 2.167 10 0 EEAEHO CN(Cc1cnc[nH]1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000179518619 464150788 /nfs/dbraw/zinc/15/07/88/464150788.db2.gz ITSXNKVZKUBWGB-IBGZPJMESA-N 1 3 328.460 2.287 10 0 EEAEHO CC[NH+]1CCC(CCN[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000271711003 464369108 /nfs/dbraw/zinc/36/91/08/464369108.db2.gz MRXRMSUJZBLCJN-CQSZACIVSA-N 1 3 339.505 2.107 10 0 EEAEHO CC(C)N1CCC([NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000189038777 464421022 /nfs/dbraw/zinc/42/10/22/464421022.db2.gz YAGWMCFCRFDBAS-GOSISDBHSA-N 1 3 333.451 2.389 10 0 EEAEHO CN(c1ccccc1CN1CC[N@@H+]2CCC[C@H]2C1)C1CCN(C)CC1 ZINC000245753418 464513309 /nfs/dbraw/zinc/51/33/09/464513309.db2.gz OEJDPFMHPCUSOZ-FQEVSTJZSA-N 1 3 342.531 2.497 10 0 EEAEHO CN(c1ccccc1CN1CC[N@H+]2CCC[C@H]2C1)C1CCN(C)CC1 ZINC000245753418 464513313 /nfs/dbraw/zinc/51/33/13/464513313.db2.gz OEJDPFMHPCUSOZ-FQEVSTJZSA-N 1 3 342.531 2.497 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CN(C)C)c2ccccc2)C[N@@H+]1C1CC1 ZINC000246347647 464574435 /nfs/dbraw/zinc/57/44/35/464574435.db2.gz OVTJJYZYDXXIML-QGPMSJSTSA-N 1 3 330.476 2.214 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CN(C)C)c2ccccc2)C[N@H+]1C1CC1 ZINC000246347647 464574440 /nfs/dbraw/zinc/57/44/40/464574440.db2.gz OVTJJYZYDXXIML-QGPMSJSTSA-N 1 3 330.476 2.214 10 0 EEAEHO CN1CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000339937280 465617501 /nfs/dbraw/zinc/61/75/01/465617501.db2.gz PFORCWSIUZKOPF-LJQANCHMSA-N 1 3 344.503 2.388 10 0 EEAEHO CN1CCCN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000339937280 465617509 /nfs/dbraw/zinc/61/75/09/465617509.db2.gz PFORCWSIUZKOPF-LJQANCHMSA-N 1 3 344.503 2.388 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000360988212 465686534 /nfs/dbraw/zinc/68/65/34/465686534.db2.gz XNTQHPJVKSMLRE-NZSAHSFTSA-N 1 3 329.488 2.498 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000360988212 465686538 /nfs/dbraw/zinc/68/65/38/465686538.db2.gz XNTQHPJVKSMLRE-NZSAHSFTSA-N 1 3 329.488 2.498 10 0 EEAEHO CC[N@H+](CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)C(C)C ZINC000340095021 465762498 /nfs/dbraw/zinc/76/24/98/465762498.db2.gz PGCDAYQUJPYCDV-ROUUACIJSA-N 1 3 332.492 2.461 10 0 EEAEHO CC[N@@H+](CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)C(C)C ZINC000340095021 465762503 /nfs/dbraw/zinc/76/25/03/465762503.db2.gz PGCDAYQUJPYCDV-ROUUACIJSA-N 1 3 332.492 2.461 10 0 EEAEHO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cn2)CCO1 ZINC000353464329 465903141 /nfs/dbraw/zinc/90/31/41/465903141.db2.gz UIJPULQTEQIMSI-LULLPPNCSA-N 1 3 344.503 2.269 10 0 EEAEHO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cn2)CCO1 ZINC000353464329 465903146 /nfs/dbraw/zinc/90/31/46/465903146.db2.gz UIJPULQTEQIMSI-LULLPPNCSA-N 1 3 344.503 2.269 10 0 EEAEHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@H]43)cn2)CCO1 ZINC000353464329 465903149 /nfs/dbraw/zinc/90/31/49/465903149.db2.gz UIJPULQTEQIMSI-LULLPPNCSA-N 1 3 344.503 2.269 10 0 EEAEHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000357348100 465970487 /nfs/dbraw/zinc/97/04/87/465970487.db2.gz MKOHBYOYHWKYTO-DLBZAZTESA-N 1 3 339.524 2.257 10 0 EEAEHO CC[NH+](CC)CC1CCN(CCc2nnnn2-c2ccccc2)CC1 ZINC000338403924 466096561 /nfs/dbraw/zinc/09/65/61/466096561.db2.gz AGWAABBZAWJCLB-UHFFFAOYSA-N 1 3 342.491 2.259 10 0 EEAEHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](N)c1ccccc1 ZINC000417253559 466816498 /nfs/dbraw/zinc/81/64/98/466816498.db2.gz LRVZZCPFZOKRLH-HPFXQQBRSA-N 1 3 332.492 2.352 10 0 EEAEHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](N)c1ccccc1 ZINC000417253559 466816500 /nfs/dbraw/zinc/81/65/00/466816500.db2.gz LRVZZCPFZOKRLH-HPFXQQBRSA-N 1 3 332.492 2.352 10 0 EEAEHO C[C@H](NC(C)(C)CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000417636377 466895944 /nfs/dbraw/zinc/89/59/44/466895944.db2.gz XRRIALPOPSQUNB-ZOBUZTSGSA-N 1 3 332.492 2.413 10 0 EEAEHO C[C@@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000424292058 467023842 /nfs/dbraw/zinc/02/38/42/467023842.db2.gz NYQRLQWTVHMPKB-LSDHHAIUSA-N 1 3 333.451 2.467 10 0 EEAEHO C[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000418182323 467067730 /nfs/dbraw/zinc/06/77/30/467067730.db2.gz MKSYTBQQEXUPMB-LEUOFYLZSA-N 1 3 330.476 2.071 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc3c(c2)CNC3)[C@H](C)C1 ZINC000418550566 467127651 /nfs/dbraw/zinc/12/76/51/467127651.db2.gz HUCCJJUKSBSORS-KDOFPFPSSA-N 1 3 330.476 2.162 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc3c(c2)CNC3)[C@H](C)C1 ZINC000418550566 467127652 /nfs/dbraw/zinc/12/76/52/467127652.db2.gz HUCCJJUKSBSORS-KDOFPFPSSA-N 1 3 330.476 2.162 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000418572797 467130494 /nfs/dbraw/zinc/13/04/94/467130494.db2.gz KRDXOFGPLOQZJW-LMMKCTJWSA-N 1 3 344.503 2.290 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000418591031 467133150 /nfs/dbraw/zinc/13/31/50/467133150.db2.gz KAPMJOGRVHZEBW-LMMKCTJWSA-N 1 3 344.503 2.148 10 0 EEAEHO CN(C[C@@H](O)C[NH2+]C[C@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000379652940 467369806 /nfs/dbraw/zinc/36/98/06/467369806.db2.gz YMQKIPIUBTZQSZ-UXHICEINSA-N 1 3 331.504 2.086 10 0 EEAEHO C[N@H+](C[C@@H](O)CNC[C@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000379652940 467369810 /nfs/dbraw/zinc/36/98/10/467369810.db2.gz YMQKIPIUBTZQSZ-UXHICEINSA-N 1 3 331.504 2.086 10 0 EEAEHO C[N@@H+](C[C@@H](O)CNC[C@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000379652940 467369815 /nfs/dbraw/zinc/36/98/15/467369815.db2.gz YMQKIPIUBTZQSZ-UXHICEINSA-N 1 3 331.504 2.086 10 0 EEAEHO CCC[NH+]1CCC(CNCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000414324121 467402614 /nfs/dbraw/zinc/40/26/14/467402614.db2.gz IIYVXSYIMKJEBN-UHFFFAOYSA-N 1 3 330.519 2.363 10 0 EEAEHO COc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(OC)c1 ZINC000530247704 467968167 /nfs/dbraw/zinc/96/81/67/467968167.db2.gz CGJALUVGFNYPTK-SFHVURJKSA-N 1 3 334.460 2.294 10 0 EEAEHO C[C@@H](CN1CCCCC1)NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000567731181 468198011 /nfs/dbraw/zinc/19/80/11/468198011.db2.gz GXOCICNLAKZCSS-MAUKXSAKSA-N 1 3 330.476 2.129 10 0 EEAEHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578742286 468248679 /nfs/dbraw/zinc/24/86/79/468248679.db2.gz PGXOVMLFOWEHLM-QUCCMNQESA-N 1 3 342.487 2.046 10 0 EEAEHO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000601269347 468805696 /nfs/dbraw/zinc/80/56/96/468805696.db2.gz RAQINGNAOJCPTG-OALUTQOASA-N 1 3 346.519 2.331 10 0 EEAEHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000572974610 469034405 /nfs/dbraw/zinc/03/44/05/469034405.db2.gz BULSBYCTLBZQRB-VQIMIIECSA-N 1 3 344.503 2.257 10 0 EEAEHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(OCc2nccn2C)cc1 ZINC000629520296 469572156 /nfs/dbraw/zinc/57/21/56/469572156.db2.gz FUQJYEOSYRMLFW-OAHLLOKOSA-N 1 3 344.459 2.158 10 0 EEAEHO C[NH2+]CCOCCN[C@H]1CCCOc2ccc(Br)cc21 ZINC000629529179 469573249 /nfs/dbraw/zinc/57/32/49/469573249.db2.gz UPOQCOILRCSAEJ-AWEZNQCLSA-N 1 3 343.265 2.488 10 0 EEAEHO COc1ccc([C@H](C)NCCOCCC[NH3+])cc1Br ZINC000629535310 469574726 /nfs/dbraw/zinc/57/47/26/469574726.db2.gz DFFQQQOCYBRYDB-NSHDSACASA-N 1 3 331.254 2.474 10 0 EEAEHO CC[C@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)N(CC)CC ZINC000617113122 469596861 /nfs/dbraw/zinc/59/68/61/469596861.db2.gz YFHPNQPPUGMEOK-GOSISDBHSA-N 1 3 339.524 2.114 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617351851 469655011 /nfs/dbraw/zinc/65/50/11/469655011.db2.gz QOHQRIKTAYPSMH-HNNXBMFYSA-N 1 3 333.476 2.230 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617351851 469655018 /nfs/dbraw/zinc/65/50/18/469655018.db2.gz QOHQRIKTAYPSMH-HNNXBMFYSA-N 1 3 333.476 2.230 10 0 EEAEHO C[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)COc3ccccc3)C2)CC1(C)C ZINC000623515822 469680921 /nfs/dbraw/zinc/68/09/21/469680921.db2.gz RNSBUJKIYFGPAG-IRXDYDNUSA-N 1 3 345.487 2.129 10 0 EEAEHO C[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)COc3ccccc3)C2)CC1(C)C ZINC000623515822 469680926 /nfs/dbraw/zinc/68/09/26/469680926.db2.gz RNSBUJKIYFGPAG-IRXDYDNUSA-N 1 3 345.487 2.129 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCCC34CC4)CC2)CC1 ZINC000623564493 469695469 /nfs/dbraw/zinc/69/54/69/469695469.db2.gz FOGDHQYAJHGWNE-INIZCTEOSA-N 1 3 348.535 2.425 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nccc2ccccc21 ZINC000617505240 469704612 /nfs/dbraw/zinc/70/46/12/469704612.db2.gz YQSZANBQCMNYLD-HNNXBMFYSA-N 1 3 328.460 2.237 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nccc2ccccc21 ZINC000617505240 469704617 /nfs/dbraw/zinc/70/46/17/469704617.db2.gz YQSZANBQCMNYLD-HNNXBMFYSA-N 1 3 328.460 2.237 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc2c1OCC2(C)C ZINC000617507083 469707000 /nfs/dbraw/zinc/70/70/00/469707000.db2.gz HOZSNNXBPDPUNW-HNNXBMFYSA-N 1 3 347.503 2.358 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc2c1OCC2(C)C ZINC000617507083 469707004 /nfs/dbraw/zinc/70/70/04/469707004.db2.gz HOZSNNXBPDPUNW-HNNXBMFYSA-N 1 3 347.503 2.358 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000627239385 469853837 /nfs/dbraw/zinc/85/38/37/469853837.db2.gz HQXGPFQIQRWGRL-MAUKXSAKSA-N 1 3 330.476 2.043 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000625285764 470112210 /nfs/dbraw/zinc/11/22/10/470112210.db2.gz GNLIXCPDHDYBOQ-MSOLQXFVSA-N 1 3 335.467 2.271 10 0 EEAEHO C[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000634711472 470284034 /nfs/dbraw/zinc/28/40/34/470284034.db2.gz PJJDTWCXJKMMJC-YRLHULLVSA-N 1 3 346.515 2.399 10 0 EEAEHO C[C@H](NC[C@H](O)C[C@](C)(O)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000634711472 470284036 /nfs/dbraw/zinc/28/40/36/470284036.db2.gz PJJDTWCXJKMMJC-YRLHULLVSA-N 1 3 346.515 2.399 10 0 EEAEHO C[C@H](NC[C@H](O)C[C@](C)(O)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000634711472 470284037 /nfs/dbraw/zinc/28/40/37/470284037.db2.gz PJJDTWCXJKMMJC-YRLHULLVSA-N 1 3 346.515 2.399 10 0 EEAEHO CN1C[C@H]2CCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC000646922607 470778041 /nfs/dbraw/zinc/77/80/41/470778041.db2.gz NMVMGPMDQHGYSR-RTBURBONSA-N 1 3 327.472 2.061 10 0 EEAEHO CC[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCN(CC)CC2)CO1 ZINC000657314061 471095096 /nfs/dbraw/zinc/09/50/96/471095096.db2.gz ZVHGUBUMBCKMMX-PMACEKPBSA-N 1 3 331.504 2.481 10 0 EEAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccnn1-c1ccccc1 ZINC000657573412 471172717 /nfs/dbraw/zinc/17/27/17/471172717.db2.gz MUDYRWRPMSVTSY-KRWDZBQOSA-N 1 3 329.492 2.234 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)[C@H]1c1ccccc1 ZINC000652174452 471250091 /nfs/dbraw/zinc/25/00/91/471250091.db2.gz UOLWCDSTRWKOKK-XFKSJGNHSA-N 1 3 342.487 2.202 10 0 EEAEHO COCc1nnc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)[n-]1 ZINC000658158366 471273801 /nfs/dbraw/zinc/27/38/01/471273801.db2.gz ZAKBQFPTWQEGBN-UHFFFAOYSA-N 1 3 343.475 2.484 10 0 EEAEHO COCc1nnc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)[n-]1 ZINC000658158366 471273802 /nfs/dbraw/zinc/27/38/02/471273802.db2.gz ZAKBQFPTWQEGBN-UHFFFAOYSA-N 1 3 343.475 2.484 10 0 EEAEHO COc1ccc(NC(=O)C[C@H](C)NCC[C@@H]([NH3+])C(C)C)c(OC)c1 ZINC000663502773 471402762 /nfs/dbraw/zinc/40/27/62/471402762.db2.gz LPELXPHDUHSMEG-DZGCQCFKSA-N 1 3 337.464 2.384 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cnc2c(c1)CCCC2 ZINC000666634701 471473400 /nfs/dbraw/zinc/47/34/00/471473400.db2.gz 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C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCc2ccccc21 ZINC000664071915 471628949 /nfs/dbraw/zinc/62/89/49/471628949.db2.gz BOTXXVJDCVCCRK-WMZOPIPTSA-N 1 3 346.519 2.288 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000659443341 471630915 /nfs/dbraw/zinc/63/09/15/471630915.db2.gz ZUHOONMDYKAHRF-RYQLBKOJSA-N 1 3 332.492 2.495 10 0 EEAEHO COCC[N@H+](C)CCCC1CCN(Cc2cnn3c2CCC3)CC1 ZINC000667680874 471864159 /nfs/dbraw/zinc/86/41/59/471864159.db2.gz UXYODOAEQSJJGW-UHFFFAOYSA-N 1 3 334.508 2.400 10 0 EEAEHO COCC[N@@H+](C)CCCC1CCN(Cc2cnn3c2CCC3)CC1 ZINC000667680874 471864166 /nfs/dbraw/zinc/86/41/66/471864166.db2.gz UXYODOAEQSJJGW-UHFFFAOYSA-N 1 3 334.508 2.400 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000664966880 471913081 /nfs/dbraw/zinc/91/30/81/471913081.db2.gz UVYOYEXQDZZASG-WDSOQIARSA-N 1 3 346.519 2.361 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000664966880 471913088 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2.491 10 0 EEAEHO C[C@@H]([NH2+]C/C=C/CNC(=O)CN1CC[C@@H](C)C1)c1cccc(F)c1 ZINC001274368592 1205012106 /nfs/dbraw/zinc/01/21/06/1205012106.db2.gz MXALEWXFNZCMNI-OBMMGQTPSA-N 1 3 333.451 2.491 10 0 EEAEHO C[C@H]1[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCN1C ZINC000925337747 1206099686 /nfs/dbraw/zinc/09/96/86/1206099686.db2.gz RGBPTPWRPLGJKS-FUHWJXTLSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@H]1[C@H](NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CC[N@@H+]1C ZINC000925343660 1206100262 /nfs/dbraw/zinc/10/02/62/1206100262.db2.gz WPLKNFJUXIIWEQ-ZIFCJYIRSA-N 1 3 344.503 2.243 10 0 EEAEHO C[C@H]1[C@H](NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CC[N@H+]1C ZINC000925343660 1206100264 /nfs/dbraw/zinc/10/02/64/1206100264.db2.gz WPLKNFJUXIIWEQ-ZIFCJYIRSA-N 1 3 344.503 2.243 10 0 EEAEHO C(Cc1nnc2n1CCCCC2)N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925534258 1206124433 /nfs/dbraw/zinc/12/44/33/1206124433.db2.gz UFSYCSWCIXHICJ-IAGOWNOFSA-N 1 3 331.508 2.305 10 0 EEAEHO CC1(C)[C@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)[C@@H]2CCCN[C@@H]21 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Cc1c(C[C@H](C[NH3+])CN[C@@H](c2ccccc2)C(C)(C)CO)cnn1C ZINC000903927493 1242528508 /nfs/dbraw/zinc/52/85/08/1242528508.db2.gz SGBOGBQIRDTCHA-APWZRJJASA-N 1 3 344.503 2.195 10 0 EEAEHO CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOCC1CC1)C1CCC1 ZINC001490968806 1258517714 /nfs/dbraw/zinc/51/77/14/1258517714.db2.gz CULPRSBLDRECFB-JLYLLQBASA-N 1 3 349.519 2.009 10 0 EEAEHO CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOCC1CC1)C1CCC1 ZINC001490968806 1258517718 /nfs/dbraw/zinc/51/77/18/1258517718.db2.gz CULPRSBLDRECFB-JLYLLQBASA-N 1 3 349.519 2.009 10 0 EEAEHO CCN(CCNCc1scnc1C)C(=O)CC[NH+]1CCCCC1 ZINC001273765733 1285155343 /nfs/dbraw/zinc/15/53/43/1285155343.db2.gz RDTBATULVAXKNB-UHFFFAOYSA-N 1 3 338.521 2.266 10 0 EEAEHO COCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001490420321 1291331641 /nfs/dbraw/zinc/33/16/41/1291331641.db2.gz WPWLPNOUIDCNLS-SFHVURJKSA-N 1 3 339.524 2.209 10 0 EEAEHO CCOP(=O)(OCC)[C@@H](O)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000851785552 1291831808 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EEAEHO CN(C)C1(C(=O)NC2CC(C[NH2+]CCc3ccccc3)C2)CCC1 ZINC001282014834 1325570581 /nfs/dbraw/zinc/57/05/81/1325570581.db2.gz LKTLLITVUSNWKP-UHFFFAOYSA-N 1 3 329.488 2.198 10 0 EEAEHO CCCN(C)CC(=O)NCC1=CC[N@H+](CCc2ccccc2)CC1 ZINC001284976204 1326805512 /nfs/dbraw/zinc/80/55/12/1326805512.db2.gz CLIMBVKEKMPABH-UHFFFAOYSA-N 1 3 329.488 2.319 10 0 EEAEHO CCCN(C)CC(=O)NCC1=CC[N@@H+](CCc2ccccc2)CC1 ZINC001284976204 1326805514 /nfs/dbraw/zinc/80/55/14/1326805514.db2.gz CLIMBVKEKMPABH-UHFFFAOYSA-N 1 3 329.488 2.319 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1ccccc1Cl ZINC001491581085 1330172529 /nfs/dbraw/zinc/17/25/29/1330172529.db2.gz ZKNXHTZHOCQFTQ-CABCVRRESA-N 1 3 337.895 2.319 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)NCc1cc(C2CC2)no1 ZINC001492024085 1330450212 /nfs/dbraw/zinc/45/02/12/1330450212.db2.gz KAAVYNBTKPGEJD-RDTXWAMCSA-N 1 3 348.491 2.409 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)NCc1cc(C2CC2)no1 ZINC001492024085 1330450216 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2.160 10 0 EEAEHO CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCC2CCCCC2)C1)N(C)C ZINC001327048594 1334211126 /nfs/dbraw/zinc/21/11/26/1334211126.db2.gz LMGKRXXENSZJQA-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO C[NH+](C)CC[C@@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC001434355250 1341830979 /nfs/dbraw/zinc/83/09/79/1341830979.db2.gz LBGHMYZUQKZLJC-MJGOQNOKSA-N 1 3 344.503 2.094 10 0 EEAEHO COc1cccc(C[NH2+]C2CC(N(C)C(=O)CN(C)C(C)C)C2)c1 ZINC001449404074 1342087531 /nfs/dbraw/zinc/08/75/31/1342087531.db2.gz NVTZUOUIIQVOBP-UHFFFAOYSA-N 1 3 333.476 2.114 10 0 EEAEHO Cc1ncoc1CNCC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001565938215 1342482798 /nfs/dbraw/zinc/48/27/98/1342482798.db2.gz HANOGILGHPAGFJ-GOEBONIOSA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1nocc1C[N@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@H](C)C1 ZINC001567259802 1342724764 /nfs/dbraw/zinc/72/47/64/1342724764.db2.gz IZKSIAOBWPFOFY-MAUKXSAKSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1nocc1C[N@@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@H](C)C1 ZINC001567259802 1342724768 /nfs/dbraw/zinc/72/47/68/1342724768.db2.gz IZKSIAOBWPFOFY-MAUKXSAKSA-N 1 3 348.491 2.186 10 0 EEAEHO CCc1noc(C)c1CNCCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001676007205 1357086940 /nfs/dbraw/zinc/08/69/40/1357086940.db2.gz WONYLORXQKFBFI-AWEZNQCLSA-N 1 3 348.491 2.016 10 0 EEAEHO CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001649456147 1353515201 /nfs/dbraw/zinc/51/52/01/1353515201.db2.gz HAQVFNFAKBKTGG-DKRLNXSXSA-N 1 3 337.508 2.034 10 0 EEAEHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(CN4CCCC4)c3)[C@H]2C1 ZINC001650608219 1354020233 /nfs/dbraw/zinc/02/02/33/1354020233.db2.gz YKHCZLQULQAILO-FHWLQOOXSA-N 1 3 327.472 2.352 10 0 EEAEHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(CN4CCCC4)c3)[C@H]2C1 ZINC001650608219 1354020238 /nfs/dbraw/zinc/02/02/38/1354020238.db2.gz YKHCZLQULQAILO-FHWLQOOXSA-N 1 3 327.472 2.352 10 0 EEAEHO Cc1ncccc1C[N@@H+](C)CCCNC(=O)CN1CCC(C)CC1 ZINC001660345687 1354445145 /nfs/dbraw/zinc/44/51/45/1354445145.db2.gz KKOSFECZWXACSE-UHFFFAOYSA-N 1 3 332.492 2.060 10 0 EEAEHO Cc1ncccc1C[N@H+](C)CCCNC(=O)CN1CCC(C)CC1 ZINC001660345687 1354445147 /nfs/dbraw/zinc/44/51/47/1354445147.db2.gz KKOSFECZWXACSE-UHFFFAOYSA-N 1 3 332.492 2.060 10 0 EEAEHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCN(Cc1ccccn1)C1CC1 ZINC001660753264 1354532567 /nfs/dbraw/zinc/53/25/67/1354532567.db2.gz QBKKFAHNIVYKOO-CALCHBBNSA-N 1 3 344.503 2.425 10 0 EEAEHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCN(Cc1ccccn1)C1CC1 ZINC001660753264 1354532568 /nfs/dbraw/zinc/53/25/68/1354532568.db2.gz QBKKFAHNIVYKOO-CALCHBBNSA-N 1 3 344.503 2.425 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001661689823 1354672813 /nfs/dbraw/zinc/67/28/13/1354672813.db2.gz BCQHUJZZMJKPIB-HDICACEKSA-N 1 3 335.467 2.335 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCOC2CCCCCC2)C1 ZINC001662564915 1354806867 /nfs/dbraw/zinc/80/68/67/1354806867.db2.gz WEGJIQFPYIZBSP-KRWDZBQOSA-N 1 3 339.524 2.258 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCc1ccc(CC[NH2+]CC(C)C)cc1 ZINC001662818464 1354853388 /nfs/dbraw/zinc/85/33/88/1354853388.db2.gz KFLIIIOTZNIMBB-UHFFFAOYSA-N 1 3 328.460 2.365 10 0 EEAEHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(Cl)nc1 ZINC001662930541 1354877277 /nfs/dbraw/zinc/87/72/77/1354877277.db2.gz ZMLOKZPMTXODJY-CYBMUJFWSA-N 1 3 338.883 2.204 10 0 EEAEHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CCc1ccccc1F ZINC001666563446 1355545697 /nfs/dbraw/zinc/54/56/97/1355545697.db2.gz OBHBKTTXYZREAA-OAHLLOKOSA-N 1 3 335.467 2.194 10 0 EEAEHO C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001666992239 1355628845 /nfs/dbraw/zinc/62/88/45/1355628845.db2.gz MFALVVLULNEOAY-KSSFIOAISA-N 1 3 327.488 2.436 10 0 EEAEHO Cc1cc(F)ccc1C[NH2+]C/C=C\CNC(=O)CN(C)C1CCC1 ZINC001668865402 1356027444 /nfs/dbraw/zinc/02/74/44/1356027444.db2.gz XEPDGXABJCSTBW-ARJAWSKDSA-N 1 3 333.451 2.380 10 0 EEAEHO CCc1nocc1CNCCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001670275750 1356310180 /nfs/dbraw/zinc/31/01/80/1356310180.db2.gz QDXMYHXOYXTOBE-WMZOPIPTSA-N 1 3 348.491 2.192 10 0 EEAEHO CCc1nocc1CNCCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001670275750 1356310185 /nfs/dbraw/zinc/31/01/85/1356310185.db2.gz QDXMYHXOYXTOBE-WMZOPIPTSA-N 1 3 348.491 2.192 10 0 EEAEHO CCC1([NH2+]CCOC2CCC2)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001673588323 1356715646 /nfs/dbraw/zinc/71/56/46/1356715646.db2.gz ABXGLXKLXCGRLD-KRWDZBQOSA-N 1 3 337.508 2.011 10 0 EEAEHO COCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C(C)(C)C1 ZINC001674019497 1356775497 /nfs/dbraw/zinc/77/54/97/1356775497.db2.gz YQCLNBJKNXDSRY-SJORKVTESA-N 1 3 339.524 2.112 10 0 EEAEHO COCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C(C)(C)C1 ZINC001674019497 1356775501 /nfs/dbraw/zinc/77/55/01/1356775501.db2.gz YQCLNBJKNXDSRY-SJORKVTESA-N 1 3 339.524 2.112 10 0 EEAEHO CCOCCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001674500008 1356848829 /nfs/dbraw/zinc/84/88/29/1356848829.db2.gz ULASZHUGDYJNAT-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO O=C(NC/C=C\CNC/C=C/Cl)C1CC[NH+](CC2CC2)CC1 ZINC001699328077 1405335697 /nfs/dbraw/zinc/33/56/97/1405335697.db2.gz DEUYSROKNPTIPZ-CKRIMZSVSA-N 1 3 325.884 2.123 10 0 EEAEHO Cc1noc(C)c1CNC[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001699761801 1405471229 /nfs/dbraw/zinc/47/12/29/1405471229.db2.gz KEDOIEGHRHIUIT-INIZCTEOSA-N 1 3 336.480 2.104 10 0 EEAEHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(C(=O)N(C)C)cc1 ZINC000925775533 775047351 /nfs/dbraw/zinc/04/73/51/775047351.db2.gz GXMUYKJOHJXYJE-IUODEOHRSA-N 1 3 325.403 2.284 10 0 EEAEHO CON(C)C(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000819049293 785375949 /nfs/dbraw/zinc/37/59/49/785375949.db2.gz DYFVCRSHUMCYDJ-AYHJJNSGSA-N 1 3 331.460 2.182 10 0 EEAEHO CON(C)C(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000819049293 785375954 /nfs/dbraw/zinc/37/59/54/785375954.db2.gz DYFVCRSHUMCYDJ-AYHJJNSGSA-N 1 3 331.460 2.182 10 0 EEAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H](O)c2cnn(C)c2)CC1 ZINC000823956687 787987489 /nfs/dbraw/zinc/98/74/89/787987489.db2.gz WNSHWDYTZQIRPE-OXQOHEQNSA-N 1 3 342.487 2.139 10 0 EEAEHO CCN1CCN([C@H](C)C[NH2+]Cc2cn(C)nc2C2CCCC2)CC1 ZINC000921530185 789046298 /nfs/dbraw/zinc/04/62/98/789046298.db2.gz RAXBNTJOGJYVHA-MRXNPFEDSA-N 1 3 333.524 2.193 10 0 EEAEHO CC(C)c1ccc(CCNC(=O)CN2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923502474 789666600 /nfs/dbraw/zinc/66/66/00/789666600.db2.gz ZPGMNIJNVKLLCE-VQIMIIECSA-N 1 3 331.504 2.385 10 0 EEAEHO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496773 789669649 /nfs/dbraw/zinc/66/96/49/789669649.db2.gz DIZPXSPYJONYJG-BZUAXINKSA-N 1 3 342.487 2.132 10 0 EEAEHO OCC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCOCC1 ZINC000716647154 796404424 /nfs/dbraw/zinc/40/44/24/796404424.db2.gz ABUVUMWVUXADFN-ZCNNSNEGSA-N 1 3 344.499 2.418 10 0 EEAEHO O[C@@]1(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCOC1 ZINC000716672153 796405803 /nfs/dbraw/zinc/40/58/03/796405803.db2.gz IJGLQHKIBRXMRD-YRPNKDGESA-N 1 3 330.472 2.171 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCCCC[C@@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001436479259 1087957841 /nfs/dbraw/zinc/95/78/41/1087957841.db2.gz RSZBPRWOWFWRDV-BJYXUANLSA-N 1 3 327.900 2.442 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001437006490 1088776590 /nfs/dbraw/zinc/77/65/90/1088776590.db2.gz TUMJDUSTMASLQX-IBGZPJMESA-N 1 3 331.504 2.398 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001437006490 1088776604 /nfs/dbraw/zinc/77/66/04/1088776604.db2.gz TUMJDUSTMASLQX-IBGZPJMESA-N 1 3 331.504 2.398 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC001437424186 1089711333 /nfs/dbraw/zinc/71/13/33/1089711333.db2.gz YLMKBXJPQJWMGB-DYVFJYSZSA-N 1 3 326.444 2.433 10 0 EEAEHO COc1cccc([C@H](C)N(C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001437556597 1090022552 /nfs/dbraw/zinc/02/25/52/1090022552.db2.gz OAWYCYXYNBRSHG-MAUKXSAKSA-N 1 3 335.492 2.390 10 0 EEAEHO Cc1ccc(CN(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001437817907 1090411312 /nfs/dbraw/zinc/41/13/12/1090411312.db2.gz URNJUHHAPRGTTL-GOSISDBHSA-N 1 3 329.488 2.417 10 0 EEAEHO Cc1ccc(CN(CCNC(=O)C[C@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC001437817907 1090411314 /nfs/dbraw/zinc/41/13/14/1090411314.db2.gz URNJUHHAPRGTTL-GOSISDBHSA-N 1 3 329.488 2.417 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](CCCF)C1 ZINC001437945889 1090540914 /nfs/dbraw/zinc/54/09/14/1090540914.db2.gz MFXNNDIKIZFZFK-IAGOWNOFSA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](CCCF)C1 ZINC001437945889 1090540916 /nfs/dbraw/zinc/54/09/16/1090540916.db2.gz MFXNNDIKIZFZFK-IAGOWNOFSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@H](c1ccc2c(c1)CCC2)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001438134506 1090658536 /nfs/dbraw/zinc/65/85/36/1090658536.db2.gz ONHFZEBDUFUNHI-OAHLLOKOSA-N 1 3 329.488 2.236 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001445395944 1091141425 /nfs/dbraw/zinc/14/14/25/1091141425.db2.gz QJBSNZGEQAYLFL-XHBSWPGZSA-N 1 3 327.419 2.460 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001445502590 1091280490 /nfs/dbraw/zinc/28/04/90/1091280490.db2.gz MTDWJZVZKJMETB-IAGOWNOFSA-N 1 3 331.504 2.226 10 0 EEAEHO C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNCc1cncs1 ZINC001438771703 1091356529 /nfs/dbraw/zinc/35/65/29/1091356529.db2.gz KPDIOVBAPGTUKN-GOEBONIOSA-N 1 3 338.521 2.202 10 0 EEAEHO CC(C)[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)NCc1ccccn1 ZINC001438845297 1091482007 /nfs/dbraw/zinc/48/20/07/1091482007.db2.gz GHTXUGCTOUKYCQ-MOPGFXCFSA-N 1 3 346.519 2.432 10 0 EEAEHO C[C@@H](CNCc1cccc(Cl)c1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001439251315 1091900841 /nfs/dbraw/zinc/90/08/41/1091900841.db2.gz FAWKTOOHPBCZBC-OLZOCXBDSA-N 1 3 341.858 2.415 10 0 EEAEHO C[C@@H](CNCc1cccc(Cl)c1F)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001439251315 1091900848 /nfs/dbraw/zinc/90/08/48/1091900848.db2.gz FAWKTOOHPBCZBC-OLZOCXBDSA-N 1 3 341.858 2.415 10 0 EEAEHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]Cc1ccns1 ZINC001439517318 1092363563 /nfs/dbraw/zinc/36/35/63/1092363563.db2.gz RWALEWKMWTZWSP-ZBFHGGJFSA-N 1 3 338.521 2.200 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCC2([NH2+][C@@H]3CCc4ccc(F)cc43)CC2)C1 ZINC001446246345 1092365366 /nfs/dbraw/zinc/36/53/66/1092365366.db2.gz AECOAQZSIQQUJP-RDTXWAMCSA-N 1 3 345.462 2.393 10 0 EEAEHO O=C(NCC1(NCc2cccnc2)CCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001440344123 1093493941 /nfs/dbraw/zinc/49/39/41/1093493941.db2.gz RSYUNNJJIMSHLU-MSOLQXFVSA-N 1 3 342.487 2.227 10 0 EEAEHO O=C(NCC1(NCc2cccnc2)CCC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001440344123 1093493948 /nfs/dbraw/zinc/49/39/48/1093493948.db2.gz RSYUNNJJIMSHLU-MSOLQXFVSA-N 1 3 342.487 2.227 10 0 EEAEHO Cc1ccncc1C[N@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001440401817 1093588679 /nfs/dbraw/zinc/58/86/79/1093588679.db2.gz XUCTXQONAHUKNX-SFHVURJKSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1ccncc1C[N@@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001440401817 1093588684 /nfs/dbraw/zinc/58/86/84/1093588684.db2.gz XUCTXQONAHUKNX-SFHVURJKSA-N 1 3 332.492 2.201 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCc2ccccc2F)CC[N@@H+]1C ZINC001448656457 1093722692 /nfs/dbraw/zinc/72/26/92/1093722692.db2.gz SHQBXPKZOUPKAU-QILLFSRXSA-N 1 3 335.467 2.493 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCc2ccccc2F)CC[N@H+]1C ZINC001448656457 1093722704 /nfs/dbraw/zinc/72/27/04/1093722704.db2.gz SHQBXPKZOUPKAU-QILLFSRXSA-N 1 3 335.467 2.493 10 0 EEAEHO CCC1([NH2+]Cc2cc(C)no2)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001440517667 1093766916 /nfs/dbraw/zinc/76/69/16/1093766916.db2.gz RIJHKFGTGJEEMB-UHFFFAOYSA-N 1 3 348.491 2.328 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(F)(F)C1 ZINC001440745561 1093993547 /nfs/dbraw/zinc/99/35/47/1093993547.db2.gz HHXGZQWWURHGCY-OAHLLOKOSA-N 1 3 331.451 2.295 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(F)(F)C1 ZINC001440745561 1093993550 /nfs/dbraw/zinc/99/35/50/1093993550.db2.gz HHXGZQWWURHGCY-OAHLLOKOSA-N 1 3 331.451 2.295 10 0 EEAEHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1)N(C)C ZINC001441400931 1094971377 /nfs/dbraw/zinc/97/13/77/1094971377.db2.gz TVAVTQRZKPRGTK-KBUPBQIOSA-N 1 3 331.451 2.389 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1)N(C)C ZINC001441506462 1095193190 /nfs/dbraw/zinc/19/31/90/1095193190.db2.gz HPGHJRIOKVYXHJ-GGNLRSJOSA-N 1 3 333.451 2.390 10 0 EEAEHO Cc1ncc(CN[C@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001441580657 1095383063 /nfs/dbraw/zinc/38/30/63/1095383063.db2.gz FUIHZFMNAVRJTA-CYBMUJFWSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1cc(CN[C@@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)sn1 ZINC001441989736 1096192756 /nfs/dbraw/zinc/19/27/56/1096192756.db2.gz FHAJYTCXRXDYOL-AWEZNQCLSA-N 1 3 338.521 2.166 10 0 EEAEHO COc1cccc([C@@H](C)N(C)CCNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001442468105 1096796659 /nfs/dbraw/zinc/79/66/59/1096796659.db2.gz YXLBSDAFFPTUTN-MRXNPFEDSA-N 1 3 345.487 2.433 10 0 EEAEHO Cc1ncc(C[N@H+]2CC[C@@H](CCNC(=O)CN3CCC(C)CC3)C2)o1 ZINC001443262034 1097741214 /nfs/dbraw/zinc/74/12/14/1097741214.db2.gz DNNVMYMLGAVKAZ-QGZVFWFLSA-N 1 3 348.491 2.043 10 0 EEAEHO Cc1ncc(C[N@@H+]2CC[C@@H](CCNC(=O)CN3CCC(C)CC3)C2)o1 ZINC001443262034 1097741220 /nfs/dbraw/zinc/74/12/20/1097741220.db2.gz DNNVMYMLGAVKAZ-QGZVFWFLSA-N 1 3 348.491 2.043 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCCc2c(F)cccc2F)C1 ZINC001480117252 1099682463 /nfs/dbraw/zinc/68/24/63/1099682463.db2.gz RYRNOEDYLOACAS-ZDUSSCGKSA-N 1 3 348.397 2.054 10 0 EEAEHO Cc1ncccc1C[N@H+]1CCC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001480263617 1099947525 /nfs/dbraw/zinc/94/75/25/1099947525.db2.gz QIQUYDNXBZRCNM-FUHWJXTLSA-N 1 3 344.503 2.060 10 0 EEAEHO Cc1ncccc1C[N@@H+]1CCC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001480263617 1099947532 /nfs/dbraw/zinc/94/75/32/1099947532.db2.gz QIQUYDNXBZRCNM-FUHWJXTLSA-N 1 3 344.503 2.060 10 0 EEAEHO CC(C)[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccccc1F ZINC001444904070 1099965830 /nfs/dbraw/zinc/96/58/30/1099965830.db2.gz BFJHJGHLLSHJIU-YJBOKZPZSA-N 1 3 335.467 2.398 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001480471441 1100277315 /nfs/dbraw/zinc/27/73/15/1100277315.db2.gz GDJCWAOLECQQNR-DYVFJYSZSA-N 1 3 339.430 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2.365 10 0 EEAEHO Cc1ccc(CN(C)C[C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)cc1F ZINC001498284267 1107213974 /nfs/dbraw/zinc/21/39/74/1107213974.db2.gz UJTGMYQLRVSRKF-YJBOKZPZSA-N 1 3 347.478 2.412 10 0 EEAEHO CCOCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001493848431 1108732436 /nfs/dbraw/zinc/73/24/36/1108732436.db2.gz FCQJDGYQEUKCRN-AEFFLSMTSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cccnc1C[NH2+][C@@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001493851707 1108737131 /nfs/dbraw/zinc/73/71/31/1108737131.db2.gz XLSLOLBEYAWQDY-KRWDZBQOSA-N 1 3 346.519 2.447 10 0 EEAEHO Cc1ncoc1CN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001493858713 1108747526 /nfs/dbraw/zinc/74/75/26/1108747526.db2.gz JAGAHYBBDILZEZ-HZPDHXFCSA-N 1 3 336.480 2.040 10 0 EEAEHO Cc1ncoc1CN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001493858713 1108747534 /nfs/dbraw/zinc/74/75/34/1108747534.db2.gz JAGAHYBBDILZEZ-HZPDHXFCSA-N 1 3 336.480 2.040 10 0 EEAEHO CN(C[C@@H]1CCN1CC1CCC(F)(F)CC1)C(=O)CC[NH+](C)C ZINC001479243024 1110666404 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331.435 2.003 10 0 EEAEHO CC(C)OCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001501071075 1113188008 /nfs/dbraw/zinc/18/80/08/1113188008.db2.gz KLIICKPUWLXTGB-IAGOWNOFSA-N 1 3 341.540 2.216 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2cnc(C)s2)C1 ZINC001501083205 1113192745 /nfs/dbraw/zinc/19/27/45/1113192745.db2.gz FPUUDNHGBOGEBZ-HIFRSBDPSA-N 1 3 338.521 2.120 10 0 EEAEHO CO[C@@H](C[NH2+]C1(C)CCN(C(=O)CN(C)C(C)C)CC1)C1CCC1 ZINC001502811442 1113808442 /nfs/dbraw/zinc/80/84/42/1113808442.db2.gz UUIPMXQBRNRRCW-KRWDZBQOSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]CC[C@H]1CCCCO1 ZINC001505411471 1113945634 /nfs/dbraw/zinc/94/56/34/1113945634.db2.gz HMEBFQJHUXKSFH-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCc2cncc(F)c2)[C@H]1C ZINC001507292510 1115177417 /nfs/dbraw/zinc/17/74/17/1115177417.db2.gz KMXBOAUTUHJQLD-PBHICJAKSA-N 1 3 336.455 2.032 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2cncc(F)c2)[C@H]1C ZINC001507292510 1115177419 /nfs/dbraw/zinc/17/74/19/1115177419.db2.gz KMXBOAUTUHJQLD-PBHICJAKSA-N 1 3 336.455 2.032 10 0 EEAEHO CC1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1NC/C=C\Cl ZINC001507453522 1115278825 /nfs/dbraw/zinc/27/88/25/1115278825.db2.gz JRNOLHGJONIQIB-LYASGUKUSA-N 1 3 327.900 2.442 10 0 EEAEHO COCCN(C)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001507839085 1115356276 /nfs/dbraw/zinc/35/62/76/1115356276.db2.gz AXYWBVBJKHZOES-KRWDZBQOSA-N 1 3 327.513 2.066 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CCC1CCOCC1)C(C)(C)C)N(C)C ZINC001508020984 1115390050 /nfs/dbraw/zinc/39/00/50/1115390050.db2.gz FIDQAXVEALVVFQ-IRXDYDNUSA-N 1 3 341.540 2.264 10 0 EEAEHO CC(C)(C(=O)NCC1=CC[N@H+](CCCF)CC1)N1CCCCC1 ZINC001508206011 1115444209 /nfs/dbraw/zinc/44/42/09/1115444209.db2.gz XUOMJNMHJLYLCO-UHFFFAOYSA-N 1 3 325.472 2.359 10 0 EEAEHO CC(C)(C(=O)NCC1=CC[N@@H+](CCCF)CC1)N1CCCCC1 ZINC001508206011 1115444212 /nfs/dbraw/zinc/44/42/12/1115444212.db2.gz XUOMJNMHJLYLCO-UHFFFAOYSA-N 1 3 325.472 2.359 10 0 EEAEHO Cc1oncc1C[NH2+]CC[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001568060466 1124265218 /nfs/dbraw/zinc/26/52/18/1124265218.db2.gz MRQRJXABMMNJDZ-MRXNPFEDSA-N 1 3 348.491 2.186 10 0 EEAEHO CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1ccc(F)c(F)c1)N(C)C ZINC001568791420 1124803655 /nfs/dbraw/zinc/80/36/55/1124803655.db2.gz IUEDBUBFFXNSNA-INIZCTEOSA-N 1 3 327.419 2.243 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC[C@H]1CCCC1(F)F ZINC001568826520 1124843841 /nfs/dbraw/zinc/84/38/41/1124843841.db2.gz CWZMTQWAUFAYLZ-OKYAQOQYSA-N 1 3 329.435 2.168 10 0 EEAEHO CC(C)(C(=O)NC/C=C/CNCc1cccc(F)c1)[NH+]1CCCC1 ZINC001568897342 1124925539 /nfs/dbraw/zinc/92/55/39/1124925539.db2.gz DJQWPIZDCIPJLP-ONEGZZNKSA-N 1 3 333.451 2.462 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000266638336 248392915 /nfs/dbraw/zinc/39/29/15/248392915.db2.gz BGZWHMGVWRDBCX-NEWSRXKRSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000266638336 248392916 /nfs/dbraw/zinc/39/29/16/248392916.db2.gz BGZWHMGVWRDBCX-NEWSRXKRSA-N 1 3 344.503 2.385 10 0 EEAEHO CN1CCC(O)(C[NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000268630835 252085251 /nfs/dbraw/zinc/08/52/51/252085251.db2.gz DWCPPRWKBYZQFU-UHFFFAOYSA-N 1 3 331.229 2.135 10 0 EEAEHO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1cccc(OCCN(C)C)c1 ZINC000125565361 143744673 /nfs/dbraw/zinc/74/46/73/143744673.db2.gz WNGBGUMLISSPLD-LPHOPBHVSA-N 1 3 336.476 2.067 10 0 EEAEHO C[C@H](Cn1cncn1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354164079 153147062 /nfs/dbraw/zinc/14/70/62/153147062.db2.gz OVCVPWXWADXNHE-BPIHKTFHSA-N 1 3 325.460 2.452 10 0 EEAEHO C[C@H](Cn1cncn1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354164079 153147065 /nfs/dbraw/zinc/14/70/65/153147065.db2.gz OVCVPWXWADXNHE-BPIHKTFHSA-N 1 3 325.460 2.452 10 0 EEAEHO CN1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)[C@H]1c1ccccc1 ZINC000245628613 160245400 /nfs/dbraw/zinc/24/54/00/160245400.db2.gz HERHPYHOMMNWQP-AYOQOUSVSA-N 1 3 342.487 2.215 10 0 EEAEHO CN1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)[C@H]1c1ccccc1 ZINC000245628613 160245401 /nfs/dbraw/zinc/24/54/01/160245401.db2.gz HERHPYHOMMNWQP-AYOQOUSVSA-N 1 3 342.487 2.215 10 0 EEAEHO CN1CC[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000245645918 160246271 /nfs/dbraw/zinc/24/62/71/160246271.db2.gz LNYCYUWIUOKVBL-MOPGFXCFSA-N 1 3 344.503 2.463 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC[N@@H+]1C ZINC000246169934 160265746 /nfs/dbraw/zinc/26/57/46/160265746.db2.gz LEHCHTLWYVOIAR-BHIYHBOVSA-N 1 3 346.519 2.283 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC[N@H+]1C ZINC000246169934 160265747 /nfs/dbraw/zinc/26/57/47/160265747.db2.gz LEHCHTLWYVOIAR-BHIYHBOVSA-N 1 3 346.519 2.283 10 0 EEAEHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CN(C3CC3)C[C@@H]1C)CC2 ZINC000342336171 161057125 /nfs/dbraw/zinc/05/71/25/161057125.db2.gz IHOKEUWQVCCOQZ-XOYOTBSWSA-N 1 3 334.508 2.126 10 0 EEAEHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CN(C3CC3)C[C@@H]1C)CC2 ZINC000342336171 161057126 /nfs/dbraw/zinc/05/71/26/161057126.db2.gz IHOKEUWQVCCOQZ-XOYOTBSWSA-N 1 3 334.508 2.126 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccnc1 ZINC000345196984 161280830 /nfs/dbraw/zinc/28/08/30/161280830.db2.gz AZISDTDHFLVYPO-FUHWJXTLSA-N 1 3 332.492 2.060 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccnc1 ZINC000345196984 161280831 /nfs/dbraw/zinc/28/08/31/161280831.db2.gz AZISDTDHFLVYPO-FUHWJXTLSA-N 1 3 332.492 2.060 10 0 EEAEHO CN(C[C@H](O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000352082180 162061304 /nfs/dbraw/zinc/06/13/04/162061304.db2.gz IGGQTJGNWLXJTI-FGTMMUONSA-N 1 3 337.895 2.130 10 0 EEAEHO CN(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000354974590 163038254 /nfs/dbraw/zinc/03/82/54/163038254.db2.gz DGBNICQFOHOLLW-IEBWSBKVSA-N 1 3 342.487 2.139 10 0 EEAEHO CN(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000354974590 163038256 /nfs/dbraw/zinc/03/82/56/163038256.db2.gz DGBNICQFOHOLLW-IEBWSBKVSA-N 1 3 342.487 2.139 10 0 EEAEHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000360434456 164309677 /nfs/dbraw/zinc/30/96/77/164309677.db2.gz XVQNFXQASPTXPF-KBPBESRZSA-N 1 3 325.478 2.051 10 0 EEAEHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCN3CCC2CC3)CC1 ZINC000376688481 167376163 /nfs/dbraw/zinc/37/61/63/167376163.db2.gz PBMVDNIREGWVKB-UHFFFAOYSA-N 1 3 336.524 2.234 10 0 EEAEHO CN1CCC(CC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000291477306 275309201 /nfs/dbraw/zinc/30/92/01/275309201.db2.gz KBJJOHWFDFOIRE-UHFFFAOYSA-N 1 3 347.503 2.365 10 0 EEAEHO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c1C ZINC000292142932 275383532 /nfs/dbraw/zinc/38/35/32/275383532.db2.gz MQPGJTRLKCSBDV-AZUAARDMSA-N 1 3 332.488 2.379 10 0 EEAEHO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c1C ZINC000292142932 275383534 /nfs/dbraw/zinc/38/35/34/275383534.db2.gz MQPGJTRLKCSBDV-AZUAARDMSA-N 1 3 332.488 2.379 10 0 EEAEHO CCC[C@H](C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1)N(C)C ZINC000161563996 276282522 /nfs/dbraw/zinc/28/25/22/276282522.db2.gz VDTQEISWHXJWMF-LJQANCHMSA-N 1 3 346.519 2.493 10 0 EEAEHO CCN1CCN(CCC[NH2+][C@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000281188533 292739939 /nfs/dbraw/zinc/73/99/39/292739939.db2.gz JEYAIFODRZDCCU-SFHVURJKSA-N 1 3 335.467 2.439 10 0 EEAEHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)C1 ZINC000414764112 313080749 /nfs/dbraw/zinc/08/07/49/313080749.db2.gz NYBMLRZPSDSTEV-KBPBESRZSA-N 1 3 347.425 2.238 10 0 EEAEHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)C1 ZINC000414764112 313080751 /nfs/dbraw/zinc/08/07/51/313080751.db2.gz NYBMLRZPSDSTEV-KBPBESRZSA-N 1 3 347.425 2.238 10 0 EEAEHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000418697005 313883248 /nfs/dbraw/zinc/88/32/48/313883248.db2.gz BHVDXNZPMAUERR-HUUCEWRRSA-N 1 3 333.480 2.065 10 0 EEAEHO CC(C)C[C@H]([NH2+][C@@H](C)Cc1ccccc1F)C(=O)NCCN(C)C ZINC000437778923 315051726 /nfs/dbraw/zinc/05/17/26/315051726.db2.gz BGGQGEKDWKHSKM-YJBOKZPZSA-N 1 3 337.483 2.439 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC34CCC4)CC2)CC1 ZINC000445018906 315337708 /nfs/dbraw/zinc/33/77/08/315337708.db2.gz LPPHJMDYHXYNSD-UHFFFAOYSA-N 1 3 334.508 2.273 10 0 EEAEHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCN1CCCC(C)(C)C1 ZINC000445258131 315354115 /nfs/dbraw/zinc/35/41/15/315354115.db2.gz ACWTWWRYOCTCLU-INIZCTEOSA-N 1 3 326.529 2.384 10 0 EEAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](O)[C@@H]2CCCO2)CC1 ZINC000527955776 317292833 /nfs/dbraw/zinc/29/28/33/317292833.db2.gz RZJFPHYVYMFVGY-AHRSYUTCSA-N 1 3 332.488 2.212 10 0 EEAEHO COc1ccc(OC)c(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530247599 317704356 /nfs/dbraw/zinc/70/43/56/317704356.db2.gz BAIKCTBZHNUBQV-SFHVURJKSA-N 1 3 334.460 2.294 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000535760702 317980404 /nfs/dbraw/zinc/98/04/04/317980404.db2.gz OMRRBMUTYYRBML-LJQANCHMSA-N 1 3 347.503 2.146 10 0 EEAEHO COc1ncccc1CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566088806 319242812 /nfs/dbraw/zinc/24/28/12/319242812.db2.gz PYEYABPJMUFPEO-PXNSSMCTSA-N 1 3 339.439 2.478 10 0 EEAEHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000566209179 319260127 /nfs/dbraw/zinc/26/01/27/319260127.db2.gz QJULMMVIYQEJJR-FGTMMUONSA-N 1 3 333.451 2.343 10 0 EEAEHO C[N@H+]1CCCC[C@@H]1CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000566209179 319260128 /nfs/dbraw/zinc/26/01/28/319260128.db2.gz QJULMMVIYQEJJR-FGTMMUONSA-N 1 3 333.451 2.343 10 0 EEAEHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000566672684 319310744 /nfs/dbraw/zinc/31/07/44/319310744.db2.gz BXJDCGRJDCXBRU-CWRNSKLLSA-N 1 3 329.423 2.116 10 0 EEAEHO C[NH+](C)CCc1ccc(CNC[C@H](O)COc2ccccc2)cc1 ZINC000580640843 324102646 /nfs/dbraw/zinc/10/26/46/324102646.db2.gz DUNICEAWEBSCDL-IBGZPJMESA-N 1 3 328.456 2.320 10 0 EEAEHO CC(C)CN(CCN(C)C)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341542868 465225006 /nfs/dbraw/zinc/22/50/06/465225006.db2.gz GEFSXZFADFHNHL-IAGOWNOFSA-N 1 3 326.529 2.479 10 0 EEAEHO CC(C)CN(CCN(C)C)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341542866 465225420 /nfs/dbraw/zinc/22/54/20/465225420.db2.gz GEFSXZFADFHNHL-CALCHBBNSA-N 1 3 326.529 2.479 10 0 EEAEHO CC(C)CN(CCN(C)C)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000341542866 465225429 /nfs/dbraw/zinc/22/54/29/465225429.db2.gz GEFSXZFADFHNHL-CALCHBBNSA-N 1 3 326.529 2.479 10 0 EEAEHO c1ccc(CN2C[C@@H](C[NH2+][C@H]3CCOC3)C3(C2)CCOCC3)cc1 ZINC000339493248 465304785 /nfs/dbraw/zinc/30/47/85/465304785.db2.gz GXBSUZVIYYZSQS-MOPGFXCFSA-N 1 3 330.472 2.294 10 0 EEAEHO c1ccc(C[N@H+]2C[C@@H](CN[C@H]3CCOC3)C3(C2)CCOCC3)cc1 ZINC000339493248 465304794 /nfs/dbraw/zinc/30/47/94/465304794.db2.gz GXBSUZVIYYZSQS-MOPGFXCFSA-N 1 3 330.472 2.294 10 0 EEAEHO c1ccc(C[N@@H+]2C[C@@H](CN[C@H]3CCOC3)C3(C2)CCOCC3)cc1 ZINC000339493248 465304801 /nfs/dbraw/zinc/30/48/01/465304801.db2.gz GXBSUZVIYYZSQS-MOPGFXCFSA-N 1 3 330.472 2.294 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000568212719 468298383 /nfs/dbraw/zinc/29/83/83/468298383.db2.gz HUWAONUGIUTQMC-ZBFHGGJFSA-N 1 3 337.895 2.443 10 0 EEAEHO CC(C)CN1CCC([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000091283088 462869421 /nfs/dbraw/zinc/86/94/21/462869421.db2.gz XSWOUAVJPMIOGH-AWEZNQCLSA-N 1 3 339.505 2.105 10 0 EEAEHO C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000195122403 463996177 /nfs/dbraw/zinc/99/61/77/463996177.db2.gz RHFQRZQLMKXKCP-GJZGRUSLSA-N 1 3 336.505 2.278 10 0 EEAEHO C[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000195122403 463996180 /nfs/dbraw/zinc/99/61/80/463996180.db2.gz RHFQRZQLMKXKCP-GJZGRUSLSA-N 1 3 336.505 2.278 10 0 EEAEHO CCC[C@H](N)C(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000182513282 464672261 /nfs/dbraw/zinc/67/22/61/464672261.db2.gz XQBXEJLDSRPBDP-RBUKOAKNSA-N 1 3 347.503 2.018 10 0 EEAEHO CCC[NH+]1CCC(CNC(=O)N(C)[C@H](C)C2CCN(C)CC2)CC1 ZINC000351800830 465368504 /nfs/dbraw/zinc/36/85/04/465368504.db2.gz AWAWULMFLPQUGA-MRXNPFEDSA-N 1 3 338.540 2.480 10 0 EEAEHO CC[N@H+](CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)C(C)C ZINC000340095019 465762658 /nfs/dbraw/zinc/76/26/58/465762658.db2.gz PGCDAYQUJPYCDV-MSOLQXFVSA-N 1 3 332.492 2.461 10 0 EEAEHO CC[N@@H+](CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)C(C)C ZINC000340095019 465762663 /nfs/dbraw/zinc/76/26/63/465762663.db2.gz PGCDAYQUJPYCDV-MSOLQXFVSA-N 1 3 332.492 2.461 10 0 EEAEHO CC1=CCN(CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000358189807 466526228 /nfs/dbraw/zinc/52/62/28/466526228.db2.gz MODCUHCZAXEOHF-LJQANCHMSA-N 1 3 342.487 2.212 10 0 EEAEHO CC1=CCN(CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000358189807 466526235 /nfs/dbraw/zinc/52/62/35/466526235.db2.gz MODCUHCZAXEOHF-LJQANCHMSA-N 1 3 342.487 2.212 10 0 EEAEHO COc1ccccc1N1CC[C@H](N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422880312 466686475 /nfs/dbraw/zinc/68/64/75/466686475.db2.gz WSLLAXZZUXFVGS-XWTMOSNGSA-N 1 3 345.487 2.021 10 0 EEAEHO C[C@@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000417588283 466888055 /nfs/dbraw/zinc/88/80/55/466888055.db2.gz PBWQGZCCLNHGDZ-MAUKXSAKSA-N 1 3 330.476 2.043 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N2CCN3CCC2CC3)CC[N@@H+]1Cc1ccccc1 ZINC000377026198 467002011 /nfs/dbraw/zinc/00/20/11/467002011.db2.gz ACMMRSRSTWCYMG-APWZRJJASA-N 1 3 342.487 2.139 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N2CCN3CCC2CC3)CC[N@H+]1Cc1ccccc1 ZINC000377026198 467002014 /nfs/dbraw/zinc/00/20/14/467002014.db2.gz ACMMRSRSTWCYMG-APWZRJJASA-N 1 3 342.487 2.139 10 0 EEAEHO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418038779 467031065 /nfs/dbraw/zinc/03/10/65/467031065.db2.gz FWLGEUIVPDANEY-HKUYNNGSSA-N 1 3 332.492 2.324 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000418148212 467058903 /nfs/dbraw/zinc/05/89/03/467058903.db2.gz REJISHLSSLCIHU-LZQZEXGQSA-N 1 3 344.503 2.194 10 0 EEAEHO CCc1ccccc1[C@H](N)CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000418652844 467141330 /nfs/dbraw/zinc/14/13/30/467141330.db2.gz NMYKNVDACKHPJU-ZTFGCOKTSA-N 1 3 332.492 2.230 10 0 EEAEHO CCc1ccccc1[C@H](N)CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000418652844 467141332 /nfs/dbraw/zinc/14/13/32/467141332.db2.gz NMYKNVDACKHPJU-ZTFGCOKTSA-N 1 3 332.492 2.230 10 0 EEAEHO COC1([C@@H](C)[NH2+]CC2CCN(c3ccncc3)CC2)CCOCC1 ZINC000453147762 467464280 /nfs/dbraw/zinc/46/42/80/467464280.db2.gz JPRJKECXZMHMFY-MRXNPFEDSA-N 1 3 333.476 2.472 10 0 EEAEHO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1CNCCCO1 ZINC000415043524 467474212 /nfs/dbraw/zinc/47/42/12/467474212.db2.gz RPHHKGBSEFFHMF-FZMZJTMJSA-N 1 3 345.256 2.487 10 0 EEAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@]2(O)CCO[C@H]2C)CC1 ZINC000449293405 467628630 /nfs/dbraw/zinc/62/86/30/467628630.db2.gz VGHJBXYGQQBJGW-UWVAXJGDSA-N 1 3 332.488 2.212 10 0 EEAEHO CC(C)N(C(=O)[C@H](C)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C(C)C ZINC000530241881 467967154 /nfs/dbraw/zinc/96/71/54/467967154.db2.gz RMBWJDYNNIKCEW-FUHWJXTLSA-N 1 3 339.524 2.111 10 0 EEAEHO COc1cccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1OC ZINC000530247575 467968494 /nfs/dbraw/zinc/96/84/94/467968494.db2.gz ATTOEIDQUUJYOC-KRWDZBQOSA-N 1 3 334.460 2.294 10 0 EEAEHO CN(C)CCN1CCC([NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000493963475 468011044 /nfs/dbraw/zinc/01/10/44/468011044.db2.gz YVFPWISVHRITSR-UHFFFAOYSA-N 1 3 331.504 2.350 10 0 EEAEHO CC(=O)c1ccc(OC[C@H](O)C[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000578641229 468232496 /nfs/dbraw/zinc/23/24/96/468232496.db2.gz RPYAOHVVPZPUKL-CTWPCTMYSA-N 1 3 346.471 2.235 10 0 EEAEHO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000578641228 468232874 /nfs/dbraw/zinc/23/28/74/468232874.db2.gz RPYAOHVVPZPUKL-ACBHZAAOSA-N 1 3 346.471 2.235 10 0 EEAEHO c1cc2c(cc1CN1CCCC[C@H]1CN1CCOCC1)C[NH2+]CC2 ZINC000568050704 468264700 /nfs/dbraw/zinc/26/47/00/468264700.db2.gz BCFIHMAPWXYGJM-FQEVSTJZSA-N 1 3 329.488 2.019 10 0 EEAEHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000582962543 468623822 /nfs/dbraw/zinc/62/38/22/468623822.db2.gz HIIIXBIBGSPFTG-ZWKOTPCHSA-N 1 3 344.503 2.375 10 0 EEAEHO COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000595014538 468743411 /nfs/dbraw/zinc/74/34/11/468743411.db2.gz BAQHPSDKUKVKGQ-HZPDHXFCSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@]1(CNC(=O)NC[C@@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000561203448 468875295 /nfs/dbraw/zinc/87/52/95/468875295.db2.gz ZLFHUXPUGHJFRY-PKOBYXMFSA-N 1 3 330.476 2.092 10 0 EEAEHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000572346937 468919740 /nfs/dbraw/zinc/91/97/40/468919740.db2.gz GNDOMZRPCIMAJZ-YXWQFLTLSA-N 1 3 336.505 2.262 10 0 EEAEHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H]1n1cccn1 ZINC000562685704 469036958 /nfs/dbraw/zinc/03/69/58/469036958.db2.gz MABFZPBYWNQLSI-QRVBRYPASA-N 1 3 341.459 2.255 10 0 EEAEHO [NH3+][C@H]1CCC[C@@H]1NCCc1ccc(I)cc1 ZINC000596655883 469323508 /nfs/dbraw/zinc/32/35/08/469323508.db2.gz ZCOPVLYMOFUVNN-STQMWFEESA-N 1 3 330.213 2.303 10 0 EEAEHO C[NH+](C)CC1(CNC(=O)Nc2ccc3c(c2)OCCNC3)CCCC1 ZINC000625941848 469443127 /nfs/dbraw/zinc/44/31/27/469443127.db2.gz JXPCXWSHQKVECH-UHFFFAOYSA-N 1 3 346.475 2.412 10 0 EEAEHO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625941629 469443435 /nfs/dbraw/zinc/44/34/35/469443435.db2.gz PEQUHMLGAKKVGP-UHFFFAOYSA-N 1 3 334.464 2.364 10 0 EEAEHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CNCCOCCC[NH3+] ZINC000629397877 469530968 /nfs/dbraw/zinc/53/09/68/469530968.db2.gz FNRSJFGBGUSFAZ-UHFFFAOYSA-N 1 3 330.476 2.312 10 0 EEAEHO Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000617503590 469701035 /nfs/dbraw/zinc/70/10/35/469701035.db2.gz PQEWSLGUUYUHQE-DLBZAZTESA-N 1 3 335.492 2.151 10 0 EEAEHO Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000617503590 469701041 /nfs/dbraw/zinc/70/10/41/469701041.db2.gz PQEWSLGUUYUHQE-DLBZAZTESA-N 1 3 335.492 2.151 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000626927514 469758436 /nfs/dbraw/zinc/75/84/36/469758436.db2.gz QIKLSKWSYITFGD-MAUKXSAKSA-N 1 3 330.476 2.222 10 0 EEAEHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626930677 469759280 /nfs/dbraw/zinc/75/92/80/469759280.db2.gz GKFZAOLUKBXGPS-APWZRJJASA-N 1 3 344.503 2.399 10 0 EEAEHO C[C@H]1[C@H](NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CCN1Cc1ccccc1 ZINC000627039033 469798646 /nfs/dbraw/zinc/79/86/46/469798646.db2.gz QZNYISDDPHANBN-MXSMSXNCSA-N 1 3 330.476 2.089 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000627163255 469829508 /nfs/dbraw/zinc/82/95/08/469829508.db2.gz HICROLFMWGHJME-GBESFXJTSA-N 1 3 344.503 2.433 10 0 EEAEHO COc1ccc(C[C@@H](CO)CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1O ZINC000628279226 470085929 /nfs/dbraw/zinc/08/59/29/470085929.db2.gz AMFVJJHBLCRAAD-HZPDHXFCSA-N 1 3 336.476 2.014 10 0 EEAEHO COc1ccc(C[C@@H](CO)CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1O ZINC000628279226 470085930 /nfs/dbraw/zinc/08/59/30/470085930.db2.gz AMFVJJHBLCRAAD-HZPDHXFCSA-N 1 3 336.476 2.014 10 0 EEAEHO CCN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000649305976 470538750 /nfs/dbraw/zinc/53/87/50/470538750.db2.gz RHFBLKBDJCHBQW-XXQMMXQMSA-N 1 3 327.472 2.136 10 0 EEAEHO CN(C(=O)NC[C@@H]1CCCC[NH2+]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000637015639 470562812 /nfs/dbraw/zinc/56/28/12/470562812.db2.gz SXALUFRRWFVXEV-ROUUACIJSA-N 1 3 330.476 2.044 10 0 EEAEHO CN(C(=O)NC[C@H]1CCCC[NH2+]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000637015638 470563028 /nfs/dbraw/zinc/56/30/28/470563028.db2.gz SXALUFRRWFVXEV-QZTJIDSGSA-N 1 3 330.476 2.044 10 0 EEAEHO COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc2c1OCO2 ZINC000650722673 470950613 /nfs/dbraw/zinc/95/06/13/470950613.db2.gz ZCWAKCLDQLOSQB-OAGGEKHMSA-N 1 3 348.443 2.285 10 0 EEAEHO CN(C)c1ncc(CNCC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000657535963 471164304 /nfs/dbraw/zinc/16/43/04/471164304.db2.gz UZVLGNNXOUYYLF-UHFFFAOYSA-N 1 3 338.521 2.190 10 0 EEAEHO CN(C(=O)NCCC1(C[NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000652239301 471260993 /nfs/dbraw/zinc/26/09/93/471260993.db2.gz JNVYYAIISMECQR-QGZVFWFLSA-N 1 3 330.476 2.031 10 0 EEAEHO CO[C@H](C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)[C@@H]1CCOC1 ZINC000658075170 471264421 /nfs/dbraw/zinc/26/44/21/471264421.db2.gz WLDXHLGHIYSHBN-KVSKMBFKSA-N 1 3 336.476 2.329 10 0 EEAEHO CCC[NH+]1CCC(NC[C@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC000658343079 471291118 /nfs/dbraw/zinc/29/11/18/471291118.db2.gz IPKSCPYOYVJDMY-NRFANRHFSA-N 1 3 344.547 2.267 10 0 EEAEHO CCCN1CCC([NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC000658343079 471291119 /nfs/dbraw/zinc/29/11/19/471291119.db2.gz IPKSCPYOYVJDMY-NRFANRHFSA-N 1 3 344.547 2.267 10 0 EEAEHO C[C@@H]1CCCCN1CCNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660394715 471321970 /nfs/dbraw/zinc/32/19/70/471321970.db2.gz CSWAJLVVVQURKO-MRXNPFEDSA-N 1 3 336.524 2.282 10 0 EEAEHO CCN(C(=O)NC[C@H](CC(C)C)[NH+](CC)CC)[C@@H]1CCN(C)C1 ZINC000663559590 471426019 /nfs/dbraw/zinc/42/60/19/471426019.db2.gz FPTXHGLWQNAJMY-SJORKVTESA-N 1 3 326.529 2.479 10 0 EEAEHO C[C@@H](CN1CCC(C)CC1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000660759452 471474413 /nfs/dbraw/zinc/47/44/13/471474413.db2.gz BHUJBXITCJBTLB-OOKSDGMUSA-N 1 3 336.524 2.421 10 0 EEAEHO C[C@@H](CN1CCC(C)CC1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000660759452 471474415 /nfs/dbraw/zinc/47/44/15/471474415.db2.gz BHUJBXITCJBTLB-OOKSDGMUSA-N 1 3 336.524 2.421 10 0 EEAEHO CO[C@](C)(CO)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000655799376 471487172 /nfs/dbraw/zinc/48/71/72/471487172.db2.gz OIBHUVAWNRPVQR-YRPNKDGESA-N 1 3 332.488 2.417 10 0 EEAEHO CO[C@](C)(CO)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000655799376 471487174 /nfs/dbraw/zinc/48/71/74/471487174.db2.gz OIBHUVAWNRPVQR-YRPNKDGESA-N 1 3 332.488 2.417 10 0 EEAEHO C[C@H](Cc1ccsc1)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663772128 471510222 /nfs/dbraw/zinc/51/02/22/471510222.db2.gz DIXQXIQGPPHQBD-CABCVRRESA-N 1 3 340.537 2.250 10 0 EEAEHO C[C@H](Cc1ccsc1)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663772128 471510229 /nfs/dbraw/zinc/51/02/29/471510229.db2.gz DIXQXIQGPPHQBD-CABCVRRESA-N 1 3 340.537 2.250 10 0 EEAEHO CC(C)N1CCN(c2ccc(C(=O)NCCC3(C[NH3+])CC3)cc2)CC1 ZINC000653221438 471541177 /nfs/dbraw/zinc/54/11/77/471541177.db2.gz WVSDVLLZSQKHHJ-UHFFFAOYSA-N 1 3 344.503 2.076 10 0 EEAEHO [NH3+]Cc1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1 ZINC000659307973 471575207 /nfs/dbraw/zinc/57/52/07/471575207.db2.gz SDPMTQOQMWYEJJ-OLZOCXBDSA-N 1 3 332.322 2.068 10 0 EEAEHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000659429601 471623015 /nfs/dbraw/zinc/62/30/15/471623015.db2.gz UAKCZBCBPHAYAD-IAGOWNOFSA-N 1 3 336.455 2.109 10 0 EEAEHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccsc1 ZINC000659435226 471626229 /nfs/dbraw/zinc/62/62/29/471626229.db2.gz WJCNAFJUUXYYSF-KFWWJZLASA-N 1 3 342.484 2.212 10 0 EEAEHO COc1cc(NCC[N@H+](C)CCCN(C)C)c(Br)cn1 ZINC000664246424 471694298 /nfs/dbraw/zinc/69/42/98/471694298.db2.gz ZQPPNOIXCDGJTJ-UHFFFAOYSA-N 1 3 345.285 2.148 10 0 EEAEHO COc1cc(NCC[N@@H+](C)CCCN(C)C)c(Br)cn1 ZINC000664246424 471694303 /nfs/dbraw/zinc/69/43/03/471694303.db2.gz ZQPPNOIXCDGJTJ-UHFFFAOYSA-N 1 3 345.285 2.148 10 0 EEAEHO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@H]1CCC2(CNC2)O1 ZINC000662253849 472045348 /nfs/dbraw/zinc/04/53/48/472045348.db2.gz WRWLYJYTMJNOQO-GOSISDBHSA-N 1 3 340.471 2.462 10 0 EEAEHO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@H]1CCC2(CNC2)O1 ZINC000662253849 472045352 /nfs/dbraw/zinc/04/53/52/472045352.db2.gz WRWLYJYTMJNOQO-GOSISDBHSA-N 1 3 340.471 2.462 10 0 EEAEHO C[C@H]1C[C@H](N(C)C(=O)C[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000662467756 472118705 /nfs/dbraw/zinc/11/87/05/472118705.db2.gz DXLJKEUNIYMKIN-QXAKKESOSA-N 1 3 329.488 2.498 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC000665764246 472179035 /nfs/dbraw/zinc/17/90/35/472179035.db2.gz ZBGPFALGOKIIEG-TXPKVOOTSA-N 1 3 346.519 2.286 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC000665764246 472179041 /nfs/dbraw/zinc/17/90/41/472179041.db2.gz ZBGPFALGOKIIEG-TXPKVOOTSA-N 1 3 346.519 2.286 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)C2([NH2+]C3CC3)CCC2)CN1Cc1ccccc1 ZINC000662747713 472233903 /nfs/dbraw/zinc/23/39/03/472233903.db2.gz CITVHRJPXGOZLA-CRAIPNDOSA-N 1 3 327.472 2.440 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)N(CC)CC ZINC000662867168 472282825 /nfs/dbraw/zinc/28/28/25/472282825.db2.gz QMNFECVNYKXSKU-QRVBRYPASA-N 1 3 347.503 2.377 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000310278486 485631840 /nfs/dbraw/zinc/63/18/40/485631840.db2.gz KFELOPIEVXHZBY-CJNGLKHVSA-N 1 3 343.393 2.165 10 0 EEAEHO CN1CCC[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000674149266 485648055 /nfs/dbraw/zinc/64/80/55/485648055.db2.gz UMLHUPFOTYAVNI-GOSISDBHSA-N 1 3 344.503 2.387 10 0 EEAEHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)C2)CC1 ZINC000684926780 486038953 /nfs/dbraw/zinc/03/89/53/486038953.db2.gz ICVDOPKSRRKFFH-HCXYKTFWSA-N 1 3 335.536 2.340 10 0 EEAEHO O=C(CCN1CCc2ccccc2C1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000416126343 534415618 /nfs/dbraw/zinc/41/56/18/534415618.db2.gz DPVVGKJJFJPQFE-RBUKOAKNSA-N 1 3 327.472 2.178 10 0 EEAEHO O=C(CCN1CCc2ccccc2C1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000416126343 534415621 /nfs/dbraw/zinc/41/56/21/534415621.db2.gz DPVVGKJJFJPQFE-RBUKOAKNSA-N 1 3 327.472 2.178 10 0 EEAEHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000415986635 528146464 /nfs/dbraw/zinc/14/64/64/528146464.db2.gz BNHAVODEBBAPTM-GOSISDBHSA-N 1 3 346.475 2.254 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@H](NC(=O)CCN2CCc3ccccc3C2)C1 ZINC000416202311 529026145 /nfs/dbraw/zinc/02/61/45/529026145.db2.gz IQTRTANDPSZARB-IBGZPJMESA-N 1 3 329.488 2.424 10 0 EEAEHO CC(C)[N@H+]1CCC[C@H](NC(=O)CCN2CCc3ccccc3C2)C1 ZINC000416202311 529026147 /nfs/dbraw/zinc/02/61/47/529026147.db2.gz IQTRTANDPSZARB-IBGZPJMESA-N 1 3 329.488 2.424 10 0 EEAEHO CC[N@@H+]1CCC[C@H](CNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000416146830 529084128 /nfs/dbraw/zinc/08/41/28/529084128.db2.gz VZLBKVYNLUOASX-QGZVFWFLSA-N 1 3 329.488 2.283 10 0 EEAEHO CC[N@H+]1CCC[C@H](CNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000416146830 529084132 /nfs/dbraw/zinc/08/41/32/529084132.db2.gz VZLBKVYNLUOASX-QGZVFWFLSA-N 1 3 329.488 2.283 10 0 EEAEHO Cc1cncc(C[NH2+]CCC[C@H](C)NC(=O)CN2CC[C@@H](C)C2)c1 ZINC001485739763 1191916822 /nfs/dbraw/zinc/91/68/22/1191916822.db2.gz ZRIZPKFZQCJUFY-WBVHZDCISA-N 1 3 332.492 2.106 10 0 EEAEHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCOc2c(C)cccc2C)C1)N(C)C ZINC001266601544 1176926414 /nfs/dbraw/zinc/92/64/14/1176926414.db2.gz GCSSXPYNEPNTLK-KZNAEPCWSA-N 1 3 347.503 2.259 10 0 EEAEHO CC(C)(C(=O)N[C@H](C[NH2+]CCCF)C1CCCC1)N1CCCC1 ZINC001671549129 1176938894 /nfs/dbraw/zinc/93/88/94/1176938894.db2.gz SOKAZQFTALVRAE-MRXNPFEDSA-N 1 3 327.488 2.485 10 0 EEAEHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]CC[C@@H]1CCCO1)C1CCC1 ZINC001266870446 1177653998 /nfs/dbraw/zinc/65/39/98/1177653998.db2.gz JZTKURXBLLYJKP-MSOLQXFVSA-N 1 3 337.508 2.011 10 0 EEAEHO Cc1nc(C)c(CNCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)s1 ZINC001267474601 1179106955 /nfs/dbraw/zinc/10/69/55/1179106955.db2.gz VFBWDMZSOBESRZ-STQMWFEESA-N 1 3 338.521 2.181 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC001481120670 1179803886 /nfs/dbraw/zinc/80/38/86/1179803886.db2.gz IOJUZEHRODJKBS-VQIMIIECSA-N 1 3 329.488 2.454 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001481120670 1179803895 /nfs/dbraw/zinc/80/38/95/1179803895.db2.gz IOJUZEHRODJKBS-VQIMIIECSA-N 1 3 329.488 2.454 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1CC[NH2+]C[C@@H]1CCCOC1 ZINC001268165998 1181901670 /nfs/dbraw/zinc/90/16/70/1181901670.db2.gz JTNFYYJQMCNUBT-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc2c(c1)COC2 ZINC001268426634 1182594664 /nfs/dbraw/zinc/59/46/64/1182594664.db2.gz QLCFLUCPMAXPIQ-HNNXBMFYSA-N 1 3 333.476 2.041 10 0 EEAEHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1ccc(F)cc1F ZINC001481870951 1182831642 /nfs/dbraw/zinc/83/16/42/1182831642.db2.gz PFRDBIHMDIUHNG-HNNXBMFYSA-N 1 3 337.414 2.045 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC2(CNCc3cncc(F)c3)CCCC2)C1 ZINC001481910025 1182930921 /nfs/dbraw/zinc/93/09/21/1182930921.db2.gz GMPHMCBVXANQIQ-OAHLLOKOSA-N 1 3 348.466 2.081 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC2(CNCc3cncc(F)c3)CCCC2)C1 ZINC001481910025 1182930928 /nfs/dbraw/zinc/93/09/28/1182930928.db2.gz GMPHMCBVXANQIQ-OAHLLOKOSA-N 1 3 348.466 2.081 10 0 EEAEHO CC(C)[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cccnc2)C1)N(C)C ZINC001481977430 1183066700 /nfs/dbraw/zinc/06/67/00/1183066700.db2.gz VJCYQEAFLBZFMK-HKUYNNGSSA-N 1 3 346.519 2.386 10 0 EEAEHO CC(C)[C@@H](C(=O)N1CCC(CC[NH2+]Cc2ccccn2)CC1)N(C)C ZINC001482006752 1183128891 /nfs/dbraw/zinc/12/88/91/1183128891.db2.gz ILKRACJQDADKFA-IBGZPJMESA-N 1 3 346.519 2.386 10 0 EEAEHO COCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001482023672 1183153069 /nfs/dbraw/zinc/15/30/69/1183153069.db2.gz YOIFGZMHEWIYSQ-KZNAEPCWSA-N 1 3 339.524 2.304 10 0 EEAEHO Cc1cncc(CNC/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001268542517 1183213604 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EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H](CC[NH2+]Cc2cncs2)C1 ZINC001269797758 1184626846 /nfs/dbraw/zinc/62/68/46/1184626846.db2.gz BWNOZFBTKIGFOE-OAHLLOKOSA-N 1 3 338.521 2.202 10 0 EEAEHO CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2cnccc2C)CC1)N(C)C ZINC001269935382 1184728065 /nfs/dbraw/zinc/72/80/65/1184728065.db2.gz OSLNEXQDUYXPOP-IBGZPJMESA-N 1 3 346.519 2.449 10 0 EEAEHO CC(C)OCC[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001270041838 1184806504 /nfs/dbraw/zinc/80/65/04/1184806504.db2.gz KYYWIPZICGPWOA-XSLAGTTESA-N 1 3 339.524 2.301 10 0 EEAEHO CN(C)C1(C(=O)N2CC[C@@](C)(C[NH2+]CCC(F)(F)F)C2)CCC1 ZINC001270737159 1185355675 /nfs/dbraw/zinc/35/56/75/1185355675.db2.gz GTJIWSPSBXAJMF-AWEZNQCLSA-N 1 3 335.414 2.251 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccns2)C1 ZINC001482485296 1186206214 /nfs/dbraw/zinc/20/62/14/1186206214.db2.gz UNWMBHMFRPTAQP-LSDHHAIUSA-N 1 3 338.521 2.200 10 0 EEAEHO Cc1cc(CNCC[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)on1 ZINC001271575550 1186322792 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EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCc2cccnc2C)CC[N@H+]1C ZINC001485878925 1193624632 /nfs/dbraw/zinc/62/46/32/1193624632.db2.gz XLJYSINDFGKQQK-FHLIZLRMSA-N 1 3 332.492 2.057 10 0 EEAEHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)[C@H](C)[NH2+]CC1CCOCC1 ZINC001409398258 1189623170 /nfs/dbraw/zinc/62/31/70/1189623170.db2.gz MZGIJOTWHAZPQE-HOTGVXAUSA-N 1 3 339.524 2.160 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2ccnc(Cl)c2)[C@@H]1C ZINC001486092983 1193679136 /nfs/dbraw/zinc/67/91/36/1193679136.db2.gz JILUINVOKQNOFX-DZGCQCFKSA-N 1 3 338.883 2.156 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2ccnc(Cl)c2)[C@@H]1C ZINC001486092983 1193679138 /nfs/dbraw/zinc/67/91/38/1193679138.db2.gz JILUINVOKQNOFX-DZGCQCFKSA-N 1 3 338.883 2.156 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001483565308 1190555017 /nfs/dbraw/zinc/55/50/17/1190555017.db2.gz SWOUVUAZIHQACI-UONOGXRCSA-N 1 3 335.414 2.298 10 0 EEAEHO C[C@@H]1C[C@H]([NH2+]CCCOc2ccccc2)CN1C(=O)CN1CCCC1 ZINC001486125580 1193688932 /nfs/dbraw/zinc/68/89/32/1193688932.db2.gz CCGJSGIJMOVQOC-MSOLQXFVSA-N 1 3 345.487 2.130 10 0 EEAEHO CN(C(=O)CC[NH+]1CCCCC1)C1CN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001483893151 1191112070 /nfs/dbraw/zinc/11/20/70/1191112070.db2.gz KMNRZVIHHZMMNJ-KURKYZTESA-N 1 3 333.520 2.441 10 0 EEAEHO Cc1ccccc1OCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001483924530 1191118344 /nfs/dbraw/zinc/11/83/44/1191118344.db2.gz JFVXJRSPHRRRQV-ZWKOTPCHSA-N 1 3 345.487 2.049 10 0 EEAEHO CC(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001484197995 1191269655 /nfs/dbraw/zinc/26/96/55/1191269655.db2.gz OCFOGDCOADRZGX-HNNXBMFYSA-N 1 3 333.467 2.446 10 0 EEAEHO CC(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001484197995 1191269656 /nfs/dbraw/zinc/26/96/56/1191269656.db2.gz OCFOGDCOADRZGX-HNNXBMFYSA-N 1 3 333.467 2.446 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1conc1C)C2 ZINC001484321578 1191303775 /nfs/dbraw/zinc/30/37/75/1191303775.db2.gz NTOKNYWTJKHRTN-JQHSSLGASA-N 1 3 348.491 2.184 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1conc1C)C2 ZINC001484321578 1191303777 /nfs/dbraw/zinc/30/37/77/1191303777.db2.gz NTOKNYWTJKHRTN-JQHSSLGASA-N 1 3 348.491 2.184 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001484512164 1191390415 /nfs/dbraw/zinc/39/04/15/1191390415.db2.gz DDLVOBURBROBEW-FUHWJXTLSA-N 1 3 333.451 2.248 10 0 EEAEHO CN(CC(=O)N1CCC(C)([NH2+]CCC(F)(F)F)CC1)C1CCC1 ZINC001484918597 1191574963 /nfs/dbraw/zinc/57/49/63/1191574963.db2.gz VHUVDRFHVFSAOK-UHFFFAOYSA-N 1 3 335.414 2.394 10 0 EEAEHO CCCN(C)CC(=O)NC1(C[NH2+]Cc2cncs2)CCCCC1 ZINC001485455977 1191791836 /nfs/dbraw/zinc/79/18/36/1191791836.db2.gz CYCRTDFTSJIFHU-UHFFFAOYSA-N 1 3 338.521 2.394 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C[NH2+]CC1CC(F)(F)C1)C(C)(C)C)N(C)C ZINC001486402722 1193927545 /nfs/dbraw/zinc/92/75/45/1193927545.db2.gz IAZFOYFYFMUNAJ-ZIAGYGMSSA-N 1 3 333.467 2.492 10 0 EEAEHO COCCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001691689734 1197506698 /nfs/dbraw/zinc/50/66/98/1197506698.db2.gz LBUKBQWMNAKOTE-MRXNPFEDSA-N 1 3 348.491 2.082 10 0 EEAEHO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C(C)C)C2)cc1 ZINC001410840562 1198489270 /nfs/dbraw/zinc/48/92/70/1198489270.db2.gz DNCNHFGLWDTKQX-DOTOQJQBSA-N 1 3 333.476 2.114 10 0 EEAEHO C[C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000810133180 1199291328 /nfs/dbraw/zinc/29/13/28/1199291328.db2.gz CWETTWNDIVMZGY-RKVPGOIHSA-N 1 3 327.488 2.436 10 0 EEAEHO C[C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000810133180 1199291331 /nfs/dbraw/zinc/29/13/31/1199291331.db2.gz CWETTWNDIVMZGY-RKVPGOIHSA-N 1 3 327.488 2.436 10 0 EEAEHO Cc1ccc(C[NH2+]C/C=C/CNC(=O)CN2CC[C@@H](C)C2)c(C)c1 ZINC001274369967 1205011960 /nfs/dbraw/zinc/01/19/60/1205011960.db2.gz SRHYOEOETSTYCH-LAQIPUCWSA-N 1 3 329.488 2.407 10 0 EEAEHO O=C(NC/C=C\CNCCC(F)(F)F)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001274431386 1205034118 /nfs/dbraw/zinc/03/41/18/1205034118.db2.gz ZBFSBSWQSYGTIC-GFCAHOMWSA-N 1 3 333.398 2.218 10 0 EEAEHO O=C(NC/C=C\CNCCC(F)(F)F)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001274431386 1205034121 /nfs/dbraw/zinc/03/41/21/1205034121.db2.gz ZBFSBSWQSYGTIC-GFCAHOMWSA-N 1 3 333.398 2.218 10 0 EEAEHO CC[N@H+](C)CCC(=O)NC/C=C\CN[C@@H]1CCc2c1cccc2F ZINC001274489870 1205056039 /nfs/dbraw/zinc/05/60/39/1205056039.db2.gz NGHNIHRVXVNYDL-PYTPGESOSA-N 1 3 333.451 2.417 10 0 EEAEHO CC[N@@H+](C)CCC(=O)NC/C=C\CN[C@@H]1CCc2c1cccc2F ZINC001274489870 1205056040 /nfs/dbraw/zinc/05/60/40/1205056040.db2.gz NGHNIHRVXVNYDL-PYTPGESOSA-N 1 3 333.451 2.417 10 0 EEAEHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc(Cl)n1)N(C)C ZINC001274785946 1205164894 /nfs/dbraw/zinc/16/48/94/1205164894.db2.gz IHSYZBKCMWMAGM-JSGCOSHPSA-N 1 3 326.872 2.060 10 0 EEAEHO CC[C@@H](F)C[NH2+]CCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001276226361 1205843612 /nfs/dbraw/zinc/84/36/12/1205843612.db2.gz DWSHAHMQLYBFGH-RHSMWYFYSA-N 1 3 333.467 2.385 10 0 EEAEHO C[C@H]1[C@@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000925331879 1206098588 /nfs/dbraw/zinc/09/85/88/1206098588.db2.gz XWEQVCKDTCFHLM-LPHOPBHVSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@H](CN1CCN(c2ccccn2)CC1)N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925505610 1206120824 /nfs/dbraw/zinc/12/08/24/1206120824.db2.gz QFNDZVPDZCOBOZ-FGTMMUONSA-N 1 3 345.535 2.088 10 0 EEAEHO O[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)COc1cccc(F)c1 ZINC000925505542 1206121002 /nfs/dbraw/zinc/12/10/02/1206121002.db2.gz SXUIZANOCPJGJJ-NEWSRXKRSA-N 1 3 336.451 2.323 10 0 EEAEHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(N2CCNC2=O)cc1 ZINC000925775179 1206153149 /nfs/dbraw/zinc/15/31/49/1206153149.db2.gz DQAPAYRISRNSGR-GXTWGEPZSA-N 1 3 338.402 2.112 10 0 EEAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000925802632 1206155373 /nfs/dbraw/zinc/15/53/73/1206155373.db2.gz PFRREEBSXUBJFA-XEBKBJJBSA-N 1 3 339.505 2.103 10 0 EEAEHO CC[C@@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1cnn(C)c1 ZINC000925808484 1206155976 /nfs/dbraw/zinc/15/59/76/1206155976.db2.gz KUTWOJUOELWJEE-LJQANCHMSA-N 1 3 327.476 2.066 10 0 EEAEHO CC(C)[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cn1 ZINC000925854317 1206161192 /nfs/dbraw/zinc/16/11/92/1206161192.db2.gz IVIBOSKQJANLCV-GDBMZVCRSA-N 1 3 335.423 2.193 10 0 EEAEHO CC(C)C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccn1 ZINC000925853765 1206161260 /nfs/dbraw/zinc/16/12/60/1206161260.db2.gz REOONAWFVAVAII-RDJZCZTQSA-N 1 3 331.460 2.444 10 0 EEAEHO C[C@H]1[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000928442598 1206384972 /nfs/dbraw/zinc/38/49/72/1206384972.db2.gz WNNZTRSEDMOGSO-WMZOPIPTSA-N 1 3 329.488 2.498 10 0 EEAEHO Cc1nocc1CNCCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001276333958 1215754596 /nfs/dbraw/zinc/75/45/96/1215754596.db2.gz XELADBCGDNLSSV-DOTOQJQBSA-N 1 3 336.480 2.042 10 0 EEAEHO CN1C[C@H](CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1=O ZINC000723534422 1230590728 /nfs/dbraw/zinc/59/07/28/1230590728.db2.gz ACBOHKJEVDQAOQ-WCIQWLHISA-N 1 3 341.499 2.498 10 0 EEAEHO C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCC(c2nc(C3CCC3)no2)CC1 ZINC000903779219 1241922021 /nfs/dbraw/zinc/92/20/21/1241922021.db2.gz WOFOCOHZDMNXIY-LPHOPBHVSA-N 1 3 346.475 2.285 10 0 EEAEHO c1ccc2c(c1)[C@H](C[C@@H]1COCCN1)CN2C[C@@H]1CCCC[NH2+]C1 ZINC000903788278 1241966235 /nfs/dbraw/zinc/96/62/35/1241966235.db2.gz HLVGYOHLVJTSCT-KZNAEPCWSA-N 1 3 329.488 2.358 10 0 EEAEHO Fc1ccc(CCNCc2cnnn2[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000903919170 1242487669 /nfs/dbraw/zinc/48/76/69/1242487669.db2.gz AQQOUZISCZQNAL-CQSZACIVSA-N 1 3 337.830 2.327 10 0 EEAEHO Cc1c(C[C@@H](CN)C[NH2+]CC2(c3ccccc3C)CC2)cnn1C ZINC000903927418 1242528385 /nfs/dbraw/zinc/52/83/85/1242528385.db2.gz YASIJDDKUJBQJC-KRWDZBQOSA-N 1 3 326.488 2.476 10 0 EEAEHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C/C=C\c1ccc(F)cc1F)C2 ZINC000903976817 1242826159 /nfs/dbraw/zinc/82/61/59/1242826159.db2.gz BUYMFHBBHBXJNT-ZDQPTHDFSA-N 1 3 336.382 2.190 10 0 EEAEHO C[NH+](C)CCCCC(=O)N1CCC[C@H](CNCc2nccs2)C1 ZINC001491184599 1258748634 /nfs/dbraw/zinc/74/86/34/1258748634.db2.gz HUCNJIAWCYVCQZ-OAHLLOKOSA-N 1 3 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ZINC001277942214 1305212793 /nfs/dbraw/zinc/21/27/93/1305212793.db2.gz WDJVEGRREROEKT-CHWSQXEVSA-N 1 3 334.291 2.228 10 0 EEAEHO C[C@H]1CC[C@@H](C[N@H+](C)CCCNC(=O)c2cccc(CN(C)C)c2)O1 ZINC001265072693 1322906697 /nfs/dbraw/zinc/90/66/97/1322906697.db2.gz CBJUIPOOOWWLQO-LPHOPBHVSA-N 1 3 347.503 2.367 10 0 EEAEHO C[C@H]1CC[C@@H](C[N@@H+](C)CCCNC(=O)c2cccc(CN(C)C)c2)O1 ZINC001265072693 1322906700 /nfs/dbraw/zinc/90/67/00/1322906700.db2.gz CBJUIPOOOWWLQO-LPHOPBHVSA-N 1 3 347.503 2.367 10 0 EEAEHO CC[N@H+](CCCNC(=O)Cc1nc[nH]c1C)CC1CC(F)(F)C1 ZINC001265143502 1322946227 /nfs/dbraw/zinc/94/62/27/1322946227.db2.gz JTHZIJIZZRCEGM-UHFFFAOYSA-N 1 3 328.407 2.134 10 0 EEAEHO CC[N@@H+](CCCNC(=O)Cc1nc[nH]c1C)CC1CC(F)(F)C1 ZINC001265143502 1322946229 /nfs/dbraw/zinc/94/62/29/1322946229.db2.gz JTHZIJIZZRCEGM-UHFFFAOYSA-N 1 3 328.407 2.134 10 0 EEAEHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCc1ccccc1F ZINC001279163377 1323843380 /nfs/dbraw/zinc/84/33/80/1323843380.db2.gz ZIQNAJWCJXUXBT-ZBFHGGJFSA-N 1 3 344.434 2.018 10 0 EEAEHO CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001316756580 1331875619 /nfs/dbraw/zinc/87/56/19/1331875619.db2.gz GGHURDTZPJWOPJ-IBMHEYTHSA-N 1 3 333.520 2.465 10 0 EEAEHO CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001316756580 1331875625 /nfs/dbraw/zinc/87/56/25/1331875625.db2.gz GGHURDTZPJWOPJ-IBMHEYTHSA-N 1 3 333.520 2.465 10 0 EEAEHO CC(C)OCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001316769960 1331883383 /nfs/dbraw/zinc/88/33/83/1331883383.db2.gz CMQBENQXYFGAMQ-MSOLQXFVSA-N 1 3 341.540 2.358 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC2(CC[N@@H+](CCCCCF)C2)CC1 ZINC001319144660 1332656604 /nfs/dbraw/zinc/65/66/04/1332656604.db2.gz JEHSYJCUPUJTKG-UHFFFAOYSA-N 1 3 336.455 2.407 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC2(CC[N@H+](CCCCCF)C2)CC1 ZINC001319144660 1332656608 /nfs/dbraw/zinc/65/66/08/1332656608.db2.gz JEHSYJCUPUJTKG-UHFFFAOYSA-N 1 3 336.455 2.407 10 0 EEAEHO CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cnc(C)o1)N(C)C ZINC001319764175 1332761713 /nfs/dbraw/zinc/76/17/13/1332761713.db2.gz BZOYUPPUHAZDFF-NVXWUHKLSA-N 1 3 336.480 2.184 10 0 EEAEHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCNCc1nccs1 ZINC001320565273 1332911613 /nfs/dbraw/zinc/91/16/13/1332911613.db2.gz XYBJUAHBIWZFQF-CABCVRRESA-N 1 3 338.521 2.390 10 0 EEAEHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCNCc1nccs1 ZINC001320565273 1332911614 /nfs/dbraw/zinc/91/16/14/1332911614.db2.gz XYBJUAHBIWZFQF-CABCVRRESA-N 1 3 338.521 2.390 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1oc(C)nc1C ZINC001320643519 1332927614 /nfs/dbraw/zinc/92/76/14/1332927614.db2.gz FSTPARYTVPRAMF-CZUORRHYSA-N 1 3 336.480 2.150 10 0 EEAEHO Cc1oncc1C[NH2+]CC[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001320643622 1332927623 /nfs/dbraw/zinc/92/76/23/1332927623.db2.gz HDORDFWUFWLVSK-CQSZACIVSA-N 1 3 344.459 2.343 10 0 EEAEHO Cc1ccc(C)c(C[NH2+]C/C=C/CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001321250001 1333055166 /nfs/dbraw/zinc/05/51/66/1333055166.db2.gz NCSGMUIKWTXYNB-LAQIPUCWSA-N 1 3 329.488 2.407 10 0 EEAEHO CC[C@H](C(=O)NCC1=CC[N@H+](CC[C@H]2CCCCO2)CC1)N(C)C ZINC001333365582 1336021784 /nfs/dbraw/zinc/02/17/84/1336021784.db2.gz KBNHNVJZMKPDBO-QZTJIDSGSA-N 1 3 337.508 2.034 10 0 EEAEHO CC[C@H](C(=O)NCC1=CC[N@@H+](CC[C@H]2CCCCO2)CC1)N(C)C ZINC001333365582 1336021791 /nfs/dbraw/zinc/02/17/91/1336021791.db2.gz KBNHNVJZMKPDBO-QZTJIDSGSA-N 1 3 337.508 2.034 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1=CC[N@H+](CCc2cccs2)CC1 ZINC001333458857 1336052195 /nfs/dbraw/zinc/05/21/95/1336052195.db2.gz UFQWDNAZKNWNQV-UHFFFAOYSA-N 1 3 335.517 2.379 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1=CC[N@@H+](CCc2cccs2)CC1 ZINC001333458857 1336052198 /nfs/dbraw/zinc/05/21/98/1336052198.db2.gz UFQWDNAZKNWNQV-UHFFFAOYSA-N 1 3 335.517 2.379 10 0 EEAEHO CCN(CCNCc1cc(C)ccc1OC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001668555897 1355962632 /nfs/dbraw/zinc/96/26/32/1355962632.db2.gz YQXBMGZOXRMENP-QGZVFWFLSA-N 1 3 347.503 2.284 10 0 EEAEHO CCN(CCNCc1cc(C)ccc1OC)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001668555897 1355962634 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2.385 10 0 EEAEHO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001570019920 1343001234 /nfs/dbraw/zinc/00/12/34/1343001234.db2.gz XZFFWFYJFFHUMT-GOSISDBHSA-N 1 3 345.487 2.119 10 0 EEAEHO COCCCN1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001656080899 1354197196 /nfs/dbraw/zinc/19/71/96/1354197196.db2.gz PSZVRXWXPZQRAA-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCOCC1)N(C)C ZINC001663071755 1354907555 /nfs/dbraw/zinc/90/75/55/1354907555.db2.gz INZVGAZAXRXWNO-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCOCC1)N(C)C ZINC001663071755 1354907557 /nfs/dbraw/zinc/90/75/57/1354907557.db2.gz INZVGAZAXRXWNO-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CN(CCNCc1cc2ccccc2o1)C(=O)C12CC[NH+](CC1)C2 ZINC001664314325 1355137274 /nfs/dbraw/zinc/13/72/74/1355137274.db2.gz ZMVAZNGPYQMRKP-UHFFFAOYSA-N 1 3 327.428 2.077 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cccc(Cl)n1 ZINC001665789520 1355388423 /nfs/dbraw/zinc/38/84/23/1355388423.db2.gz XGDGPDZVCJLUMT-UMVBOHGHSA-N 1 3 338.883 2.060 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cccc(Cl)n1 ZINC001665789520 1355388429 /nfs/dbraw/zinc/38/84/29/1355388429.db2.gz XGDGPDZVCJLUMT-UMVBOHGHSA-N 1 3 338.883 2.060 10 0 EEAEHO C[C@H](C[NH2+]CCc1ccccc1Cl)N(C)C(=O)Cc1c[nH]cn1 ZINC001667003247 1355631071 /nfs/dbraw/zinc/63/10/71/1355631071.db2.gz RRNUGPZYRFQFRX-CYBMUJFWSA-N 1 3 334.851 2.285 10 0 EEAEHO COc1ccc(CNC/C=C/CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001669074944 1356084197 /nfs/dbraw/zinc/08/41/97/1356084197.db2.gz HFARBGKOUKLJBS-ONEGZZNKSA-N 1 3 345.487 2.189 10 0 EEAEHO CCCCOCC[NH2+]C1(C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001673982437 1356767183 /nfs/dbraw/zinc/76/71/83/1356767183.db2.gz XYSANEZNGDSPRL-KRWDZBQOSA-N 1 3 339.524 2.116 10 0 EEAEHO O=C(NC1(CNCCF)CCCCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001675185489 1356943457 /nfs/dbraw/zinc/94/34/57/1356943457.db2.gz XXMXAJJYNISRJX-HZPDHXFCSA-N 1 3 325.472 2.382 10 0 EEAEHO O=C(NC1(CNCCF)CCCCC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001675185489 1356943459 /nfs/dbraw/zinc/94/34/59/1356943459.db2.gz XXMXAJJYNISRJX-HZPDHXFCSA-N 1 3 325.472 2.382 10 0 EEAEHO Cc1cc(C)cc(OCC[NH2+][C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001690621144 1404930707 /nfs/dbraw/zinc/93/07/07/1404930707.db2.gz NSCAHANFSNIHOZ-QAPCUYQASA-N 1 3 347.503 2.118 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1conc1C ZINC001698920611 1405162212 /nfs/dbraw/zinc/16/22/12/1405162212.db2.gz MYLSRVQTHHIMRZ-QGZVFWFLSA-N 1 3 336.480 2.186 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNCc1ncc(C)s1 ZINC001699108958 1405265150 /nfs/dbraw/zinc/26/51/50/1405265150.db2.gz XXETZZAYSCGICY-ZFWWWQNUSA-N 1 3 338.521 2.310 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNCc1ncc(C)s1 ZINC001699108958 1405265154 /nfs/dbraw/zinc/26/51/54/1405265154.db2.gz XXETZZAYSCGICY-ZFWWWQNUSA-N 1 3 338.521 2.310 10 0 EEAEHO CN(CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)Cc1ccncc1 ZINC000908234837 785254013 /nfs/dbraw/zinc/25/40/13/785254013.db2.gz BPCZFCGXSUFZIF-RBUKOAKNSA-N 1 3 344.503 2.379 10 0 EEAEHO CN(CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)Cc1ccncc1 ZINC000908234837 785254020 /nfs/dbraw/zinc/25/40/20/785254020.db2.gz BPCZFCGXSUFZIF-RBUKOAKNSA-N 1 3 344.503 2.379 10 0 EEAEHO C[C@@H]1CN(C[C@@H](O)c2cccc(Br)c2)C[C@H]1CC[NH3+] ZINC000923430614 789540891 /nfs/dbraw/zinc/54/08/91/789540891.db2.gz IGQAJBVNBSTZSB-UXIGCNINSA-N 1 3 327.266 2.399 10 0 EEAEHO O[C@]1(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCOC1 ZINC000716672151 796405958 /nfs/dbraw/zinc/40/59/58/796405958.db2.gz IJGLQHKIBRXMRD-LWYYNNOASA-N 1 3 330.472 2.171 10 0 EEAEHO CCN(CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@@H](C)c1cnc(C)cn1 ZINC001566565576 1125741193 /nfs/dbraw/zinc/74/11/93/1125741193.db2.gz WBLKUHPYIKPOKH-WBVHZDCISA-N 1 3 347.507 2.016 10 0 EEAEHO CCN(CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)[C@@H](C)c1cnc(C)cn1 ZINC001566565576 1125741201 /nfs/dbraw/zinc/74/12/01/1125741201.db2.gz WBLKUHPYIKPOKH-WBVHZDCISA-N 1 3 347.507 2.016 10 0 EEAEHO CC[C@@H](C(=O)N(C)C1CC[NH+](C[C@H](OC)C2CCC2)CC1)N(C)C ZINC001436677861 1088126562 /nfs/dbraw/zinc/12/65/62/1088126562.db2.gz WUDWZUMFCGIIET-ROUUACIJSA-N 1 3 339.524 2.065 10 0 EEAEHO O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@@H](NCc2ccccn2)C1 ZINC001436978201 1088675163 /nfs/dbraw/zinc/67/51/63/1088675163.db2.gz NMMQCUUBVCCBLG-HDICACEKSA-N 1 3 330.476 2.085 10 0 EEAEHO C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)NCc1cncc(F)c1 ZINC001437210842 1089289787 /nfs/dbraw/zinc/28/97/87/1089289787.db2.gz DOFLKUFEBVEBFY-HUUCEWRRSA-N 1 3 336.455 2.080 10 0 EEAEHO CC(C)Oc1ccccc1CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001437264882 1089411066 /nfs/dbraw/zinc/41/10/66/1089411066.db2.gz XLNRVDBXKSFFAE-NVXWUHKLSA-N 1 3 333.476 2.020 10 0 EEAEHO CC(C)Oc1ccccc1CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001437264882 1089411071 /nfs/dbraw/zinc/41/10/71/1089411071.db2.gz XLNRVDBXKSFFAE-NVXWUHKLSA-N 1 3 333.476 2.020 10 0 EEAEHO Cc1nc(CN[C@H](C)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)c(C)s1 ZINC001437404661 1089679571 /nfs/dbraw/zinc/67/95/71/1089679571.db2.gz RYOLZIONLWFYCX-QWHCGFSZSA-N 1 3 338.521 2.086 10 0 EEAEHO Cc1nc(CN[C@H](C)CCNC(=O)C[N@H+]2CC[C@H](C)C2)c(C)s1 ZINC001437404661 1089679574 /nfs/dbraw/zinc/67/95/74/1089679574.db2.gz RYOLZIONLWFYCX-QWHCGFSZSA-N 1 3 338.521 2.086 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NCC2CN(CC/C=C/c3ccccc3)C2)C1 ZINC001438164524 1090677168 /nfs/dbraw/zinc/67/71/68/1090677168.db2.gz XVQHGIILKMDKOS-SQUITACLSA-N 1 3 341.499 2.480 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NCC2CN(CC/C=C/c3ccccc3)C2)C1 ZINC001438164524 1090677171 /nfs/dbraw/zinc/67/71/71/1090677171.db2.gz XVQHGIILKMDKOS-SQUITACLSA-N 1 3 341.499 2.480 10 0 EEAEHO CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1cc(C)ns1 ZINC001438310217 1090788013 /nfs/dbraw/zinc/78/80/13/1090788013.db2.gz JMHZLTWBIYXVDZ-HUUCEWRRSA-N 1 3 338.521 2.310 10 0 EEAEHO CC[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1cc(C)ns1 ZINC001438310217 1090788017 /nfs/dbraw/zinc/78/80/17/1090788017.db2.gz JMHZLTWBIYXVDZ-HUUCEWRRSA-N 1 3 338.521 2.310 10 0 EEAEHO CC(C)[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]CC1CCOCC1 ZINC001438800065 1091405967 /nfs/dbraw/zinc/40/59/67/1091405967.db2.gz GCHSRBJQKPHPJH-QZTJIDSGSA-N 1 3 339.524 2.016 10 0 EEAEHO C[C@H](CN(C)Cc1ccc(F)cc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445746173 1091577237 /nfs/dbraw/zinc/57/72/37/1091577237.db2.gz IXSBULSBEMBDNW-RDTXWAMCSA-N 1 3 333.451 2.104 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2cc(C)ccc2OC)CC[N@@H+]1C ZINC001439108647 1091753222 /nfs/dbraw/zinc/75/32/22/1091753222.db2.gz KGGCLKMUGUDWEZ-BPQIPLTHSA-N 1 3 347.503 2.328 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2cc(C)ccc2OC)CC[N@H+]1C ZINC001439108647 1091753225 /nfs/dbraw/zinc/75/32/25/1091753225.db2.gz KGGCLKMUGUDWEZ-BPQIPLTHSA-N 1 3 347.503 2.328 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CNCc1cncs1)C1CC1 ZINC001445958059 1091904147 /nfs/dbraw/zinc/90/41/47/1091904147.db2.gz XQJKIHPEIBYRHD-HZPDHXFCSA-N 1 3 336.505 2.000 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](CNCc1cncs1)C1CC1 ZINC001445958059 1091904153 /nfs/dbraw/zinc/90/41/53/1091904153.db2.gz XQJKIHPEIBYRHD-HZPDHXFCSA-N 1 3 336.505 2.000 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1cncs1)C1CC1 ZINC001445958059 1091904159 /nfs/dbraw/zinc/90/41/59/1091904159.db2.gz XQJKIHPEIBYRHD-HZPDHXFCSA-N 1 3 336.505 2.000 10 0 EEAEHO COC[C@@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001439935518 1093028377 /nfs/dbraw/zinc/02/83/77/1093028377.db2.gz DOKOFZYVVPLBQP-VQIMIIECSA-N 1 3 339.524 2.114 10 0 EEAEHO COC[C@@H](C)[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001439935518 1093028383 /nfs/dbraw/zinc/02/83/83/1093028383.db2.gz DOKOFZYVVPLBQP-VQIMIIECSA-N 1 3 339.524 2.114 10 0 EEAEHO CCCN(C)CC(=O)N1CCC(CC)([NH2+]Cc2cnoc2C)CC1 ZINC001440541049 1093809942 /nfs/dbraw/zinc/80/99/42/1093809942.db2.gz XCGFOQSEUQPPAO-UHFFFAOYSA-N 1 3 336.480 2.186 10 0 EEAEHO Cc1ncoc1CN[C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001440670193 1093934690 /nfs/dbraw/zinc/93/46/90/1093934690.db2.gz AXQNNRYGYPEYQJ-GOEBONIOSA-N 1 3 336.480 2.230 10 0 EEAEHO Cc1ncoc1CN[C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001440670193 1093934693 /nfs/dbraw/zinc/93/46/93/1093934693.db2.gz AXQNNRYGYPEYQJ-GOEBONIOSA-N 1 3 336.480 2.230 10 0 EEAEHO COc1cc(C[N@H+](C)[C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)ccc1C ZINC001440965859 1094222968 /nfs/dbraw/zinc/22/29/68/1094222968.db2.gz CRNRHSOSRKNIKF-WBVHZDCISA-N 1 3 347.503 2.282 10 0 EEAEHO COc1cc(C[N@@H+](C)[C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)ccc1C ZINC001440965859 1094222972 /nfs/dbraw/zinc/22/29/72/1094222972.db2.gz CRNRHSOSRKNIKF-WBVHZDCISA-N 1 3 347.503 2.282 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]C[C@H]2CCCOC2)CCCCC1 ZINC001441105749 1094414662 /nfs/dbraw/zinc/41/46/62/1094414662.db2.gz HWRQMYFRJWLTTM-MRXNPFEDSA-N 1 3 348.491 2.096 10 0 EEAEHO CCN(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C/C=C\Cl)C[C@H]21)c1ccccc1 ZINC001441728597 1095706768 /nfs/dbraw/zinc/70/67/68/1095706768.db2.gz CSVIGZRRCQLMHJ-VDSZYANQSA-N 1 3 347.890 2.478 10 0 EEAEHO CCN(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C/C=C\Cl)C[C@H]21)c1ccccc1 ZINC001441728597 1095706780 /nfs/dbraw/zinc/70/67/80/1095706780.db2.gz CSVIGZRRCQLMHJ-VDSZYANQSA-N 1 3 347.890 2.478 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@H+](C)C[C@H]2CC(C)(C)CO2)C1 ZINC001442216517 1096508262 /nfs/dbraw/zinc/50/82/62/1096508262.db2.gz RHKLMWVESDYSMG-DLBZAZTESA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@@H+](C)C[C@H]2CC(C)(C)CO2)C1 ZINC001442216517 1096508266 /nfs/dbraw/zinc/50/82/66/1096508266.db2.gz RHKLMWVESDYSMG-DLBZAZTESA-N 1 3 339.524 2.065 10 0 EEAEHO CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCc1c(C)noc1C ZINC001443976135 1098493926 /nfs/dbraw/zinc/49/39/26/1098493926.db2.gz ZGICGEQDETVBRI-HNNXBMFYSA-N 1 3 336.480 2.150 10 0 EEAEHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1cnc(C)s1 ZINC001443979217 1098496379 /nfs/dbraw/zinc/49/63/79/1098496379.db2.gz XNGYZRLHNUKOMD-AEGPPILISA-N 1 3 338.521 2.166 10 0 EEAEHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1cnc(C)s1 ZINC001443979217 1098496382 /nfs/dbraw/zinc/49/63/82/1098496382.db2.gz XNGYZRLHNUKOMD-AEGPPILISA-N 1 3 338.521 2.166 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CC=C(C)C ZINC001479616310 1098641340 /nfs/dbraw/zinc/64/13/40/1098641340.db2.gz CLSYGFGRPZIGAH-RDGPPVDQSA-N 1 3 333.520 2.463 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC=C(C)C ZINC001479616310 1098641346 /nfs/dbraw/zinc/64/13/46/1098641346.db2.gz CLSYGFGRPZIGAH-RDGPPVDQSA-N 1 3 333.520 2.463 10 0 EEAEHO CC(C)N(C)CC(=O)NCCC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001444232298 1098795003 /nfs/dbraw/zinc/79/50/03/1098795003.db2.gz GELQSMLGXSEREI-SFHVURJKSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cccnc1C[NH+]1CCC2(C[C@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001479987669 1099448247 /nfs/dbraw/zinc/44/82/47/1099448247.db2.gz GNENGKIORJCGIT-GOSISDBHSA-N 1 3 344.503 2.201 10 0 EEAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](NCc1ccns1)C1CC1 ZINC001480026224 1099511046 /nfs/dbraw/zinc/51/10/46/1099511046.db2.gz CSWKKDQNZKLAJS-HOCLYGCPSA-N 1 3 336.505 2.002 10 0 EEAEHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](NCc1ccns1)C1CC1 ZINC001480026224 1099511057 /nfs/dbraw/zinc/51/10/57/1099511057.db2.gz CSWKKDQNZKLAJS-HOCLYGCPSA-N 1 3 336.505 2.002 10 0 EEAEHO C[NH+](C)CCC(=O)NC[C@@H](NCc1sccc1Cl)C1CC1 ZINC001480045270 1099548816 /nfs/dbraw/zinc/54/88/16/1099548816.db2.gz VDFJEUFDPCOVJS-CYBMUJFWSA-N 1 3 329.897 2.338 10 0 EEAEHO Cc1ncccc1C[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001480087761 1099645201 /nfs/dbraw/zinc/64/52/01/1099645201.db2.gz QIZHAXINYRQZTG-GOSISDBHSA-N 1 3 346.519 2.401 10 0 EEAEHO Cc1ncccc1C[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001480087761 1099645205 /nfs/dbraw/zinc/64/52/05/1099645205.db2.gz QIZHAXINYRQZTG-GOSISDBHSA-N 1 3 346.519 2.401 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCOCC2)C1)N(C)C ZINC001480233498 1099861469 /nfs/dbraw/zinc/86/14/69/1099861469.db2.gz DCAZRDKNUXFKTK-KSZLIROESA-N 1 3 339.524 2.016 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)CC[C@H]1CCCCO1 ZINC001445082638 1100295427 /nfs/dbraw/zinc/29/54/27/1100295427.db2.gz FVEKDRMWXPTRRX-MSOLQXFVSA-N 1 3 339.524 2.210 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC[C@H]1CCCCO1 ZINC001445082638 1100295432 /nfs/dbraw/zinc/29/54/32/1100295432.db2.gz FVEKDRMWXPTRRX-MSOLQXFVSA-N 1 3 339.524 2.210 10 0 EEAEHO CCOCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001496484665 1101075977 /nfs/dbraw/zinc/07/59/77/1101075977.db2.gz XNMXUPMMJSVGJN-DLBZAZTESA-N 1 3 341.540 2.218 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCC(F)(F)F ZINC001496486613 1101077937 /nfs/dbraw/zinc/07/79/37/1101077937.db2.gz JICFHVDWRNRBQA-KGLIPLIRSA-N 1 3 337.430 2.497 10 0 EEAEHO Cc1ccncc1C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001495481146 1101190910 /nfs/dbraw/zinc/19/09/10/1101190910.db2.gz FPRJBNUPCPKJEV-IYARVYRRSA-N 1 3 332.492 2.247 10 0 EEAEHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1cccc(Cl)n1 ZINC001495682364 1101429927 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EEAEHO CCN1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(OC)cc1 ZINC001497762182 1103049863 /nfs/dbraw/zinc/04/98/63/1103049863.db2.gz GBLJFJSIZCOXJY-SFFCAUCYSA-N 1 3 345.487 2.332 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001447930503 1103626705 /nfs/dbraw/zinc/62/67/05/1103626705.db2.gz JGVNWCLYAVMEBZ-HZPDHXFCSA-N 1 3 331.504 2.498 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC1CC(F)(F)C1 ZINC001494985976 1104629387 /nfs/dbraw/zinc/62/93/87/1104629387.db2.gz CMJHSIWIOIVGNI-CABCVRRESA-N 1 3 331.451 2.391 10 0 EEAEHO C[C@@H](C[NH2+]Cc1ccc2ncccc2c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001498118591 1106944026 /nfs/dbraw/zinc/94/40/26/1106944026.db2.gz SUCROEOWXSUUGE-CVEARBPZSA-N 1 3 340.471 2.171 10 0 EEAEHO Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C)c(C)s1 ZINC001493769617 1108644219 /nfs/dbraw/zinc/64/42/19/1108644219.db2.gz PGWDNELZGPBBEF-MRXNPFEDSA-N 1 3 325.522 2.499 10 0 EEAEHO C[C@H](CC[NH+](C)C)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC001467744301 1110462863 /nfs/dbraw/zinc/46/28/63/1110462863.db2.gz APXSVJVMKIASNC-LRVUVFPRSA-N 1 3 349.441 2.496 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CCNCc2cc(C)no2)C1 ZINC001501574575 1113388176 /nfs/dbraw/zinc/38/81/76/1113388176.db2.gz PJDKYUPHNPGGFK-FUHWJXTLSA-N 1 3 348.491 2.186 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CCNCc2cc(C)no2)C1 ZINC001501574575 1113388179 /nfs/dbraw/zinc/38/81/79/1113388179.db2.gz PJDKYUPHNPGGFK-FUHWJXTLSA-N 1 3 348.491 2.186 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCOc1ccccc1 ZINC001505424968 1113958820 /nfs/dbraw/zinc/95/88/20/1113958820.db2.gz YAQWOHWMDPYDGF-HKUYNNGSSA-N 1 3 345.487 2.082 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCOc1ccccc1 ZINC001505424968 1113958822 /nfs/dbraw/zinc/95/88/22/1113958822.db2.gz YAQWOHWMDPYDGF-HKUYNNGSSA-N 1 3 345.487 2.082 10 0 EEAEHO Cc1ncc(CN[C@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC001507115417 1115116284 /nfs/dbraw/zinc/11/62/84/1115116284.db2.gz ADDPYQCSUWCDDI-IPYPFGDCSA-N 1 3 338.521 2.118 10 0 EEAEHO Cc1ncc(CN[C@H](C)CN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC001507115417 1115116286 /nfs/dbraw/zinc/11/62/86/1115116286.db2.gz ADDPYQCSUWCDDI-IPYPFGDCSA-N 1 3 338.521 2.118 10 0 EEAEHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCc1ccnc(Cl)c1 ZINC001507116985 1115116764 /nfs/dbraw/zinc/11/67/64/1115116764.db2.gz WSKHMCTZCHXZDH-CYBMUJFWSA-N 1 3 338.883 2.013 10 0 EEAEHO COc1ccc(Cl)cc1CN[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001507116687 1115116788 /nfs/dbraw/zinc/11/67/88/1115116788.db2.gz CYBGXOHRJXZOED-ZDUSSCGKSA-N 1 3 341.883 2.237 10 0 EEAEHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2cncs2)C(C)(C)C)CC[N@@H+]1C ZINC001507938446 1115377079 /nfs/dbraw/zinc/37/70/79/1115377079.db2.gz JRBGFWGITYNOBQ-BPLDGKMQSA-N 1 3 338.521 2.104 10 0 EEAEHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2cncs2)C(C)(C)C)CC[N@H+]1C ZINC001507938446 1115377080 /nfs/dbraw/zinc/37/70/80/1115377080.db2.gz JRBGFWGITYNOBQ-BPLDGKMQSA-N 1 3 338.521 2.104 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NCc2ccc(CNC/C=C\Cl)cc2)CC[N@@H+]1C ZINC001568118409 1124311984 /nfs/dbraw/zinc/31/19/84/1124311984.db2.gz RUSWLCKDBYBTJP-SXZVCHKBSA-N 1 3 335.879 2.485 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NCc2ccc(CNC/C=C\Cl)cc2)CC[N@H+]1C ZINC001568118409 1124311996 /nfs/dbraw/zinc/31/19/96/1124311996.db2.gz RUSWLCKDBYBTJP-SXZVCHKBSA-N 1 3 335.879 2.485 10 0 EEAEHO C[C@H](CCNCc1cccc(F)c1Cl)NC(=O)CC[NH+](C)C ZINC001568672079 1124686173 /nfs/dbraw/zinc/68/61/73/1124686173.db2.gz FTQRDNKEBGTUFZ-GFCCVEGCSA-N 1 3 329.847 2.415 10 0 EEAEHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(Cn2ccccc2=O)cc1 ZINC000422951685 240305385 /nfs/dbraw/zinc/30/53/85/240305385.db2.gz ZSVOZYCHFXSOEA-QFBILLFUSA-N 1 3 325.456 2.374 10 0 EEAEHO CN(C)[C@@]1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CCSC1 ZINC000426704829 241327851 /nfs/dbraw/zinc/32/78/51/241327851.db2.gz SSZRWCAROMJSLU-QGZVFWFLSA-N 1 3 327.538 2.052 10 0 EEAEHO COCCCN1CCC([NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000447933222 242341753 /nfs/dbraw/zinc/34/17/53/242341753.db2.gz VMVAUUZLSRDWRB-UHFFFAOYSA-N 1 3 328.460 2.463 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+](C)C[C@@H](C)C(=O)OC)CC1 ZINC000091986021 159212255 /nfs/dbraw/zinc/21/22/55/159212255.db2.gz UBCPSWLXKOSDGX-QGZVFWFLSA-N 1 3 347.503 2.460 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+](C)C[C@@H](C)C(=O)OC)CC1 ZINC000091986021 159212256 /nfs/dbraw/zinc/21/22/56/159212256.db2.gz UBCPSWLXKOSDGX-QGZVFWFLSA-N 1 3 347.503 2.460 10 0 EEAEHO CN(c1ccccc1C[NH2+]CC1(CCO)CC1)C1CCN(C)CC1 ZINC000189994504 160153513 /nfs/dbraw/zinc/15/35/13/160153513.db2.gz YNRUXAHCJPDEFI-UHFFFAOYSA-N 1 3 331.504 2.469 10 0 EEAEHO CCC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N(C)C ZINC000162000975 276021086 /nfs/dbraw/zinc/02/10/86/276021086.db2.gz WDZMYMXSXQDRHS-OALUTQOASA-N 1 3 331.504 2.398 10 0 EEAEHO CCC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC000162000975 276021087 /nfs/dbraw/zinc/02/10/87/276021087.db2.gz WDZMYMXSXQDRHS-OALUTQOASA-N 1 3 331.504 2.398 10 0 EEAEHO C[C@@H](NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423102269 278334695 /nfs/dbraw/zinc/33/46/95/278334695.db2.gz DTGZCCVDUQGXRO-DOMZBBRYSA-N 1 3 338.883 2.393 10 0 EEAEHO Cc1cc(C)c(N2CC[C@@H]([N@H+]3C[C@H]4CN(C)C[C@H]4C3)C2=O)c(C)c1 ZINC000193638427 280386772 /nfs/dbraw/zinc/38/67/72/280386772.db2.gz QKYCXWGSZBLQTR-FGTMMUONSA-N 1 3 327.472 2.211 10 0 EEAEHO Cc1cc(C)c(N2CC[C@@H]([N@@H+]3C[C@H]4CN(C)C[C@H]4C3)C2=O)c(C)c1 ZINC000193638427 280386773 /nfs/dbraw/zinc/38/67/73/280386773.db2.gz QKYCXWGSZBLQTR-FGTMMUONSA-N 1 3 327.472 2.211 10 0 EEAEHO CN(C)[C@@H]1CCN(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000186271189 289311652 /nfs/dbraw/zinc/31/16/52/289311652.db2.gz BIJGGXVLPACJTF-RTBURBONSA-N 1 3 344.503 2.243 10 0 EEAEHO CN(C)[C@@H]1CCN(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000186271189 289311654 /nfs/dbraw/zinc/31/16/54/289311654.db2.gz BIJGGXVLPACJTF-RTBURBONSA-N 1 3 344.503 2.243 10 0 EEAEHO CCC(CC)[C@H](CNC(=O)N[C@H]1CNCCC1(F)F)[NH+]1CCCC1 ZINC000416965466 313374162 /nfs/dbraw/zinc/37/41/62/313374162.db2.gz XPKYOZVAPXYVHY-GJZGRUSLSA-N 1 3 346.466 2.183 10 0 EEAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N(C)C ZINC000418160662 313730117 /nfs/dbraw/zinc/73/01/17/313730117.db2.gz BJWUWVFLNOGTKT-DKKFBQAASA-N 1 3 344.503 2.380 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000422185248 314198515 /nfs/dbraw/zinc/19/85/15/314198515.db2.gz YNBYXPPHSLZSJU-XBMUEBEBSA-N 1 3 346.519 2.331 10 0 EEAEHO CN(CCC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccncc1 ZINC000541857414 318112696 /nfs/dbraw/zinc/11/26/96/318112696.db2.gz QNWLNXXPPDPZQS-UHFFFAOYSA-N 1 3 332.492 2.488 10 0 EEAEHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CCC[NH+](C)C)C1 ZINC000543641102 318164866 /nfs/dbraw/zinc/16/48/66/318164866.db2.gz YCFLOCGGVSEEJW-WMZOPIPTSA-N 1 3 332.492 2.415 10 0 EEAEHO C[NH+](C)CC1CCC(NC(=O)N2CCc3ccccc3[C@H]2CN)CC1 ZINC000564936057 319130486 /nfs/dbraw/zinc/13/04/86/319130486.db2.gz GZGDCAKKWMWGLW-GXOAENINSA-N 1 3 344.503 2.375 10 0 EEAEHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000576815026 320206145 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EEAEHO CN1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000065517992 462786805 /nfs/dbraw/zinc/78/68/05/462786805.db2.gz LQARLLNZXDTHCK-RTBURBONSA-N 1 3 344.503 2.292 10 0 EEAEHO CCC[NH+]1CCC(CNC(=O)N[C@H](CC(C)C)CN(C)C)CC1 ZINC000157766183 463166861 /nfs/dbraw/zinc/16/68/61/463166861.db2.gz YQRLBBLMXVMGAT-QGZVFWFLSA-N 1 3 326.529 2.384 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553162995 468351772 /nfs/dbraw/zinc/35/17/72/468351772.db2.gz BRLGXMGQEBXWPI-IEBWSBKVSA-N 1 3 329.488 2.309 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553162995 468351777 /nfs/dbraw/zinc/35/17/77/468351777.db2.gz BRLGXMGQEBXWPI-IEBWSBKVSA-N 1 3 329.488 2.309 10 0 EEAEHO CN(C)[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000170834306 463719073 /nfs/dbraw/zinc/71/90/73/463719073.db2.gz DJGLNTBPSDQCRT-LJQANCHMSA-N 1 3 344.503 2.244 10 0 EEAEHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CCCCC2)CCN1Cc1ccccc1 ZINC000268835313 463791387 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C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC[N@@H+]1C ZINC000174203689 464376785 /nfs/dbraw/zinc/37/67/85/464376785.db2.gz LEHCHTLWYVOIAR-NZSAHSFTSA-N 1 3 346.519 2.283 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC[N@H+]1C ZINC000174203689 464376789 /nfs/dbraw/zinc/37/67/89/464376789.db2.gz LEHCHTLWYVOIAR-NZSAHSFTSA-N 1 3 346.519 2.283 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000264862383 464494865 /nfs/dbraw/zinc/49/48/65/464494865.db2.gz FDHGVDHLINAOTD-UHFFFAOYSA-N 1 3 347.503 2.431 10 0 EEAEHO CN1CCN(C)[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000272384250 464587429 /nfs/dbraw/zinc/58/74/29/464587429.db2.gz FTLBBOSXKROZDM-MXEMCNAFSA-N 1 3 342.531 2.017 10 0 EEAEHO CN1CCN(C)[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000272384250 464587435 /nfs/dbraw/zinc/58/74/35/464587435.db2.gz FTLBBOSXKROZDM-MXEMCNAFSA-N 1 3 342.531 2.017 10 0 EEAEHO CN1CCN(C)[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000272384250 464587439 /nfs/dbraw/zinc/58/74/39/464587439.db2.gz FTLBBOSXKROZDM-MXEMCNAFSA-N 1 3 342.531 2.017 10 0 EEAEHO C[NH+](C)CCOc1ccc(CCNCc2cn3cccnc3n2)cc1 ZINC000298239486 465340709 /nfs/dbraw/zinc/34/07/09/465340709.db2.gz CCEJNYCAGBDUJA-UHFFFAOYSA-N 1 3 339.443 2.002 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000340092217 465759322 /nfs/dbraw/zinc/75/93/22/465759322.db2.gz BLVCSAAQRSTVSP-BGTYHANMSA-N 1 3 330.476 2.214 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC[N@H+]1C ZINC000340092217 465759330 /nfs/dbraw/zinc/75/93/30/465759330.db2.gz BLVCSAAQRSTVSP-BGTYHANMSA-N 1 3 330.476 2.214 10 0 EEAEHO CC1CC[NH+](CCCCNC(=O)N2CC[C@H](N3CC=CC3)C2)CC1 ZINC000363564930 466481968 /nfs/dbraw/zinc/48/19/68/466481968.db2.gz ZKAHHNHDIILROJ-SFHVURJKSA-N 1 3 334.508 2.154 10 0 EEAEHO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCN3CCc4ccccc4C3)CC[C@H]21 ZINC000354360247 466504809 /nfs/dbraw/zinc/50/48/09/466504809.db2.gz BJRSKXJRQXWXAP-WOJBJXKFSA-N 1 3 341.499 2.378 10 0 EEAEHO C[N@H+]1CCC[C@@H]2CN(C(=O)CCN3CCc4ccccc4C3)CC[C@H]21 ZINC000354360247 466504813 /nfs/dbraw/zinc/50/48/13/466504813.db2.gz BJRSKXJRQXWXAP-WOJBJXKFSA-N 1 3 341.499 2.378 10 0 EEAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000417042147 466762527 /nfs/dbraw/zinc/76/25/27/466762527.db2.gz WUKXHIKBGDBRTM-JFIYKMOQSA-N 1 3 332.492 2.354 10 0 EEAEHO N[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000417792483 466936235 /nfs/dbraw/zinc/93/62/35/466936235.db2.gz KOAOOJFNTUHWFS-MSOLQXFVSA-N 1 3 330.476 2.250 10 0 EEAEHO N[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000417792483 466936240 /nfs/dbraw/zinc/93/62/40/466936240.db2.gz KOAOOJFNTUHWFS-MSOLQXFVSA-N 1 3 330.476 2.250 10 0 EEAEHO C[NH2+][C@@H]1CCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000418050178 467034467 /nfs/dbraw/zinc/03/44/67/467034467.db2.gz ZZJHNOJNGHJYTR-MJGOQNOKSA-N 1 3 330.476 2.044 10 0 EEAEHO N[C@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000418449850 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333.451 2.030 10 0 EEAEHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)C1 ZINC000414707472 467431154 /nfs/dbraw/zinc/43/11/54/467431154.db2.gz PQJYBWLZFBCDPO-SJLPKXTDSA-N 1 3 333.451 2.030 10 0 EEAEHO CN(C[C@H](O)C[NH2+]C[C@]1(C)CCCN1Cc1ccccc1)C1CC1 ZINC000397898073 467444702 /nfs/dbraw/zinc/44/47/02/467444702.db2.gz QYWFSJGZMQVPPB-UXHICEINSA-N 1 3 331.504 2.086 10 0 EEAEHO CCCN1CCN(c2ccccc2CN[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000414943734 467455677 /nfs/dbraw/zinc/45/56/77/467455677.db2.gz OKVNDQCWKJGAOY-HKUYNNGSSA-N 1 3 330.520 2.306 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000515143566 467976009 /nfs/dbraw/zinc/97/60/09/467976009.db2.gz KYLSCDRBRCFMAY-KCITZHQASA-N 1 3 344.503 2.194 10 0 EEAEHO CN1CC[C@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)[C@@H]2CCC[C@H]21 ZINC000515239401 467981719 /nfs/dbraw/zinc/98/17/19/467981719.db2.gz DNCOBCRQDJGZAB-YESZJQIVSA-N 1 3 337.489 2.021 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000531204641 468036041 /nfs/dbraw/zinc/03/60/41/468036041.db2.gz LKWOWJZEAUDEPB-SFHVURJKSA-N 1 3 342.487 2.303 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000567821011 468216942 /nfs/dbraw/zinc/21/69/42/468216942.db2.gz TUFYKPJAWQQAQH-LJQANCHMSA-N 1 3 340.471 2.117 10 0 EEAEHO CN1CC[C@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccccc1 ZINC000578743118 468249457 /nfs/dbraw/zinc/24/94/57/468249457.db2.gz GLVUFAAFFDCJKS-QYZOEREBSA-N 1 3 338.455 2.431 10 0 EEAEHO CN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CN2CCC1CC2 ZINC000571341375 468774175 /nfs/dbraw/zinc/77/41/75/468774175.db2.gz KWBVNOYQNQXIOL-RTBURBONSA-N 1 3 327.472 2.061 10 0 EEAEHO CN(C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CN2CCC1CC2 ZINC000571341375 468774177 /nfs/dbraw/zinc/77/41/77/468774177.db2.gz KWBVNOYQNQXIOL-RTBURBONSA-N 1 3 327.472 2.061 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000572494989 468941045 /nfs/dbraw/zinc/94/10/45/468941045.db2.gz BUUJGFMAVJJTOO-ROUUACIJSA-N 1 3 329.488 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C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCc2ccccc2C1 ZINC000617502305 469699426 /nfs/dbraw/zinc/69/94/26/469699426.db2.gz KWOVIIVXZHXPON-QFBILLFUSA-N 1 3 331.504 2.180 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(F)cc1Cl ZINC000617503771 469701810 /nfs/dbraw/zinc/70/18/10/469701810.db2.gz YQCMGKQAWKLBET-LBPRGKRZSA-N 1 3 329.847 2.481 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(F)cc1Cl ZINC000617503771 469701816 /nfs/dbraw/zinc/70/18/16/469701816.db2.gz YQCMGKQAWKLBET-LBPRGKRZSA-N 1 3 329.847 2.481 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000617504509 469704280 /nfs/dbraw/zinc/70/42/80/469704280.db2.gz ZANDWANDWVFVHE-QGTPRVQTSA-N 1 3 335.467 2.317 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000617504509 469704285 /nfs/dbraw/zinc/70/42/85/469704285.db2.gz ZANDWANDWVFVHE-QGTPRVQTSA-N 1 3 335.467 2.317 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1coc(C2CCCC2)n1 ZINC000617507120 469705934 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EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000627033355 469797260 /nfs/dbraw/zinc/79/72/60/469797260.db2.gz HRSVGJKZMZAYJL-OWLYRPNTSA-N 1 3 332.492 2.426 10 0 EEAEHO CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000608500927 469831049 /nfs/dbraw/zinc/83/10/49/469831049.db2.gz ZAJAMQGNVFLVIO-WOJBJXKFSA-N 1 3 333.520 2.286 10 0 EEAEHO CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000608500927 469831053 /nfs/dbraw/zinc/83/10/53/469831053.db2.gz ZAJAMQGNVFLVIO-WOJBJXKFSA-N 1 3 333.520 2.286 10 0 EEAEHO C[C@@H]1CCN(C(=O)N[C@H]2CCCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000608648484 469853035 /nfs/dbraw/zinc/85/30/35/469853035.db2.gz VHIFQLHFIVZJNQ-MJGOQNOKSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@@H]1CCN(C(=O)N[C@H]2CCCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000608648484 469853038 /nfs/dbraw/zinc/85/30/38/469853038.db2.gz VHIFQLHFIVZJNQ-MJGOQNOKSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@@H]1CN(CCC(=O)Nc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000631840768 470186812 /nfs/dbraw/zinc/18/68/12/470186812.db2.gz VJTSRAQIZXGCIO-VXGBXAGGSA-N 1 3 340.265 2.304 10 0 EEAEHO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1CN ZINC000631840768 470186813 /nfs/dbraw/zinc/18/68/13/470186813.db2.gz VJTSRAQIZXGCIO-VXGBXAGGSA-N 1 3 340.265 2.304 10 0 EEAEHO C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1CN ZINC000631840768 470186814 /nfs/dbraw/zinc/18/68/14/470186814.db2.gz VJTSRAQIZXGCIO-VXGBXAGGSA-N 1 3 340.265 2.304 10 0 EEAEHO CN1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000646917631 470776490 /nfs/dbraw/zinc/77/64/90/470776490.db2.gz CJMCQNOTHOYPEJ-FHWLQOOXSA-N 1 3 327.472 2.061 10 0 EEAEHO CN1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000646917631 470776493 /nfs/dbraw/zinc/77/64/93/470776493.db2.gz CJMCQNOTHOYPEJ-FHWLQOOXSA-N 1 3 327.472 2.061 10 0 EEAEHO CC(=O)c1cccc(OC[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000644577849 470986778 /nfs/dbraw/zinc/98/67/78/470986778.db2.gz KETJEEJCRLLSCX-IPQPSQTFSA-N 1 3 346.471 2.234 10 0 EEAEHO CC(=O)c1cccc(OC[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000644577849 470986782 /nfs/dbraw/zinc/98/67/82/470986782.db2.gz KETJEEJCRLLSCX-IPQPSQTFSA-N 1 3 346.471 2.234 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)NCCC2(C[NH3+])CC2)N(C)C)cc1 ZINC000652119605 471238828 /nfs/dbraw/zinc/23/88/28/471238828.db2.gz NPKPZVSVVBSFQL-QGZVFWFLSA-N 1 3 332.492 2.280 10 0 EEAEHO [NH3+]CC1(CCNC(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000652188074 471252851 /nfs/dbraw/zinc/25/28/51/471252851.db2.gz BZOXHEZMQUJKBZ-UHFFFAOYSA-N 1 3 336.524 2.461 10 0 EEAEHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000652361513 471280081 /nfs/dbraw/zinc/28/00/81/471280081.db2.gz JJOPQAFSMCBPEG-AYOQOUSVSA-N 1 3 349.519 2.281 10 0 EEAEHO O=C1CC[C@@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)N1 ZINC000658258334 471281388 /nfs/dbraw/zinc/28/13/88/471281388.db2.gz IHKNOIBUQPYEGR-INDMIFKZSA-N 1 3 327.472 2.155 10 0 EEAEHO O=C1CC[C@@H](CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)N1 ZINC000658258334 471281390 /nfs/dbraw/zinc/28/13/90/471281390.db2.gz IHKNOIBUQPYEGR-INDMIFKZSA-N 1 3 327.472 2.155 10 0 EEAEHO O=C1CC[C@@H](CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)N1 ZINC000658258334 471281393 /nfs/dbraw/zinc/28/13/93/471281393.db2.gz IHKNOIBUQPYEGR-INDMIFKZSA-N 1 3 327.472 2.155 10 0 EEAEHO Cc1nc(C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000666285765 471340708 /nfs/dbraw/zinc/34/07/08/471340708.db2.gz DYTRHPUYOVKVDE-NSHDSACASA-N 1 3 327.498 2.153 10 0 EEAEHO Cc1nc(C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000666285765 471340712 /nfs/dbraw/zinc/34/07/12/471340712.db2.gz DYTRHPUYOVKVDE-NSHDSACASA-N 1 3 327.498 2.153 10 0 EEAEHO COc1ccc(OC)c(NC(=O)C[C@H](C)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000663501696 471400900 /nfs/dbraw/zinc/40/09/00/471400900.db2.gz BIFGPVFFLXCQGW-DZGCQCFKSA-N 1 3 337.464 2.384 10 0 EEAEHO CC[NH+]1CCC(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659035217 471477770 /nfs/dbraw/zinc/47/77/70/471477770.db2.gz VDFDSSDUPYXBNN-SFHVURJKSA-N 1 3 346.475 2.201 10 0 EEAEHO [NH3+]C/C=C\CNC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000667232466 471702668 /nfs/dbraw/zinc/70/26/68/471702668.db2.gz VLKPUWKECVAQHF-IHWYPQMZSA-N 1 3 332.448 2.188 10 0 EEAEHO CCN1CCC(NC(=O)C[NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000653867994 471762910 /nfs/dbraw/zinc/76/29/10/471762910.db2.gz MECIHGUNVYMKTL-CYBMUJFWSA-N 1 3 331.451 2.391 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000654343525 471920556 /nfs/dbraw/zinc/92/05/56/471920556.db2.gz FTECQOISERCNGH-NZSAHSFTSA-N 1 3 344.503 2.463 10 0 EEAEHO CS(=O)(=O)CC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000665234859 471975964 /nfs/dbraw/zinc/97/59/64/471975964.db2.gz KZZGTZCMWGHLSR-BZUAXINKSA-N 1 3 328.522 2.102 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000665758728 472173770 /nfs/dbraw/zinc/17/37/70/472173770.db2.gz NKEKIYPBBQPWTD-IKGGRYGDSA-N 1 3 326.529 2.479 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000665758728 472173774 /nfs/dbraw/zinc/17/37/74/472173774.db2.gz NKEKIYPBBQPWTD-IKGGRYGDSA-N 1 3 326.529 2.479 10 0 EEAEHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000662660494 472193044 /nfs/dbraw/zinc/19/30/44/472193044.db2.gz FKGZNIRQSQHJSW-HSALFYBXSA-N 1 3 341.499 2.292 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)c2cc(C(C)(C)N)no2)[NH+](C)C)cc1 ZINC000662691994 472209828 /nfs/dbraw/zinc/20/98/28/472209828.db2.gz UQULMHZEXUYCBG-AWEZNQCLSA-N 1 3 330.432 2.210 10 0 EEAEHO CC(C)c1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)no1 ZINC000666205178 472345269 /nfs/dbraw/zinc/34/52/69/472345269.db2.gz ROLRBVLFKPADCM-ZDUSSCGKSA-N 1 3 325.457 2.192 10 0 EEAEHO CC(C)c1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)no1 ZINC000666205178 472345273 /nfs/dbraw/zinc/34/52/73/472345273.db2.gz ROLRBVLFKPADCM-ZDUSSCGKSA-N 1 3 325.457 2.192 10 0 EEAEHO CCC[N@H+](C)C[C@@H]1CCN(C[C@H](O)CN(C)Cc2ccccc2)C1 ZINC000674047299 485623573 /nfs/dbraw/zinc/62/35/73/485623573.db2.gz KCDQZDNWADAESV-VQTJNVASSA-N 1 3 333.520 2.143 10 0 EEAEHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)CN(C)Cc2ccccc2)C1 ZINC000674047299 485623583 /nfs/dbraw/zinc/62/35/83/485623583.db2.gz KCDQZDNWADAESV-VQTJNVASSA-N 1 3 333.520 2.143 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000674327307 485697020 /nfs/dbraw/zinc/69/70/20/485697020.db2.gz BVYLQWXRILJGET-NEWSRXKRSA-N 1 3 344.503 2.433 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000674327307 485697025 /nfs/dbraw/zinc/69/70/25/485697025.db2.gz BVYLQWXRILJGET-NEWSRXKRSA-N 1 3 344.503 2.433 10 0 EEAEHO CCN(C(=O)N[C@@H]1CCCN(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000681211796 486173953 /nfs/dbraw/zinc/17/39/53/486173953.db2.gz ZONBITLQEGVYGY-MOPGFXCFSA-N 1 3 344.503 2.387 10 0 EEAEHO CCN(C(=O)N[C@@H]1CCCN(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681211796 486173957 /nfs/dbraw/zinc/17/39/57/486173957.db2.gz ZONBITLQEGVYGY-MOPGFXCFSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@@H](C(=O)N(C)CCNCc1cncc(F)c1)[NH+]1CCCCCC1 ZINC001266851848 1177556113 /nfs/dbraw/zinc/55/61/13/1177556113.db2.gz FPPLUIQLWAAHLX-HNNXBMFYSA-N 1 3 336.455 2.033 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([C@@H](C)[NH2+]CCOC2CCC2)CC1 ZINC001267494875 1179174190 /nfs/dbraw/zinc/17/41/90/1179174190.db2.gz FNKRNGHNQORLHN-MRXNPFEDSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1cc(CNCCN(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)sn1 ZINC001481246081 1180436908 /nfs/dbraw/zinc/43/69/08/1180436908.db2.gz PGPDNQRVNORKOJ-GDBMZVCRSA-N 1 3 336.505 2.016 10 0 EEAEHO Cc1cc(CNCCN(C)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)sn1 ZINC001481246081 1180436914 /nfs/dbraw/zinc/43/69/14/1180436914.db2.gz PGPDNQRVNORKOJ-GDBMZVCRSA-N 1 3 336.505 2.016 10 0 EEAEHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001267819287 1180578159 /nfs/dbraw/zinc/57/81/59/1180578159.db2.gz CHRYSOYCCASYMT-DZGCQCFKSA-N 1 3 338.883 2.061 10 0 EEAEHO Cc1nn(C(C)C)cc1CNCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001481319498 1181025016 /nfs/dbraw/zinc/02/50/16/1181025016.db2.gz GSUOPHYPEXRECB-UHFFFAOYSA-N 1 3 349.523 2.196 10 0 EEAEHO CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]CC1CCOCC1)N(C)C ZINC001268155261 1181853234 /nfs/dbraw/zinc/85/32/34/1181853234.db2.gz VDFYSMGAGPZFNV-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1C[NH2+]CCC(F)(F)F ZINC001268192090 1181985248 /nfs/dbraw/zinc/98/52/48/1181985248.db2.gz LQTAYNNQLKNQCS-WCQYABFASA-N 1 3 332.370 2.121 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1ccccc1N(C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001268399929 1182490862 /nfs/dbraw/zinc/49/08/62/1182490862.db2.gz NYWZLLLZQMJWTP-SJORKVTESA-N 1 3 346.519 2.079 10 0 EEAEHO Cc1oncc1CNC[C@@](C)(NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001481933137 1182981330 /nfs/dbraw/zinc/98/13/30/1182981330.db2.gz XQFDRQIMBSZBQE-PKOBYXMFSA-N 1 3 348.491 2.232 10 0 EEAEHO Cc1oncc1CNC[C@@](C)(NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001481933137 1182981335 /nfs/dbraw/zinc/98/13/35/1182981335.db2.gz XQFDRQIMBSZBQE-PKOBYXMFSA-N 1 3 348.491 2.232 10 0 EEAEHO CC[C@H](C(=O)N(CC)CC[NH2+]Cc1sc(C)nc1C)N(C)C ZINC001268493671 1182995459 /nfs/dbraw/zinc/99/54/59/1182995459.db2.gz YJGGGSNBADLWEB-CQSZACIVSA-N 1 3 326.510 2.038 10 0 EEAEHO CC(C)[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2ccccn2)C1)N(C)C ZINC001481989223 1183095035 /nfs/dbraw/zinc/09/50/35/1183095035.db2.gz XMUQWWLGFMQHLC-MJGOQNOKSA-N 1 3 346.519 2.386 10 0 EEAEHO CCCN(C)CC(=O)N1CCC(CC[NH2+]Cc2nccs2)CC1 ZINC001482006657 1183128956 /nfs/dbraw/zinc/12/89/56/1183128956.db2.gz FWJCYRXHWOBLKK-UHFFFAOYSA-N 1 3 338.521 2.203 10 0 EEAEHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCc1ccc(Cl)cc1)N(C)C ZINC001268662094 1183589560 /nfs/dbraw/zinc/58/95/60/1183589560.db2.gz WQAMMJBBXAVJKK-CJNGLKHVSA-N 1 3 325.884 2.317 10 0 EEAEHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CCC(F)(F)F ZINC001271630372 1186344271 /nfs/dbraw/zinc/34/42/71/1186344271.db2.gz ULZQLLKJRNXTFR-OLZOCXBDSA-N 1 3 335.414 2.107 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CCCC1CCOCC1 ZINC001671389964 1193543389 /nfs/dbraw/zinc/54/33/89/1193543389.db2.gz NWZROTUDAZRZKD-SFHVURJKSA-N 1 3 339.524 2.114 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)NC/C=C/CN[C@@H]2CCCc3ccc(F)cc32)C1 ZINC001483091895 1188459602 /nfs/dbraw/zinc/45/96/02/1188459602.db2.gz BAQNPISJHKNFOJ-BAXQNQMVSA-N 1 3 345.462 2.417 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)NC/C=C/CN[C@@H]2CCCc3ccc(F)cc32)C1 ZINC001483091895 1188459604 /nfs/dbraw/zinc/45/96/04/1188459604.db2.gz BAQNPISJHKNFOJ-BAXQNQMVSA-N 1 3 345.462 2.417 10 0 EEAEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC001409361552 1189576767 /nfs/dbraw/zinc/57/67/67/1189576767.db2.gz JVJOMNCFPVENQP-JKSUJKDBSA-N 1 3 347.503 2.036 10 0 EEAEHO Cc1ccncc1C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001483448885 1190483546 /nfs/dbraw/zinc/48/35/46/1190483546.db2.gz YIVFJFPHKRSBQW-HKUYNNGSSA-N 1 3 346.519 2.495 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NC2(C)CCN(CCC(F)(F)F)CC2)C1 ZINC001483974211 1191137764 /nfs/dbraw/zinc/13/77/64/1191137764.db2.gz VOEVJNTVJOXDGK-ZDUSSCGKSA-N 1 3 335.414 2.251 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NC2(C)CCN(CCC(F)(F)F)CC2)C1 ZINC001483974211 1191137765 /nfs/dbraw/zinc/13/77/65/1191137765.db2.gz VOEVJNTVJOXDGK-ZDUSSCGKSA-N 1 3 335.414 2.251 10 0 EEAEHO C[C@H](F)CC[N@@H+]1CCC[C@@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001484161727 1191249623 /nfs/dbraw/zinc/24/96/23/1191249623.db2.gz YTFKBBONYUCATE-YJBOKZPZSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@H](F)CC[N@H+]1CCC[C@@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001484161727 1191249624 /nfs/dbraw/zinc/24/96/24/1191249624.db2.gz YTFKBBONYUCATE-YJBOKZPZSA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@@H](CC[NH2+]CCCF)C2)C1 ZINC001484536602 1191404157 /nfs/dbraw/zinc/40/41/57/1191404157.db2.gz ACTVAUCHNMKENO-CRAIPNDOSA-N 1 3 345.478 2.387 10 0 EEAEHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC[C@@H]1CCOC1)N(C)C ZINC001484618434 1191444113 /nfs/dbraw/zinc/44/41/13/1191444113.db2.gz RCDBEAGPIQDWNE-KURKYZTESA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1nc(C(C)C)oc1CNC1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001484662517 1191462584 /nfs/dbraw/zinc/46/25/84/1191462584.db2.gz JLYSQPKWRYJWPU-UHFFFAOYSA-N 1 3 348.491 2.331 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@H+](CC2CC(F)(F)C2)CC1 ZINC001484728354 1191487203 /nfs/dbraw/zinc/48/72/03/1191487203.db2.gz NARZEFSBZLPWNK-OAHLLOKOSA-N 1 3 331.451 2.343 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@@H+](CC2CC(F)(F)C2)CC1 ZINC001484728354 1191487205 /nfs/dbraw/zinc/48/72/05/1191487205.db2.gz NARZEFSBZLPWNK-OAHLLOKOSA-N 1 3 331.451 2.343 10 0 EEAEHO CCC1([NH2+]Cc2ccc(F)cn2)CCN(C(=O)CN2CCCC2)CC1 ZINC001484819117 1191539161 /nfs/dbraw/zinc/53/91/61/1191539161.db2.gz IEWCJKBPZCHYAQ-UHFFFAOYSA-N 1 3 348.466 2.177 10 0 EEAEHO COc1ccc(CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001485155836 1191668238 /nfs/dbraw/zinc/66/82/38/1191668238.db2.gz LGWLDRSRFSTJGM-JKSUJKDBSA-N 1 3 347.503 2.205 10 0 EEAEHO Cc1ccncc1C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCN1C)C(C)C ZINC001485428470 1191787752 /nfs/dbraw/zinc/78/77/52/1191787752.db2.gz JTPMEPJGYFDOPZ-MOPGFXCFSA-N 1 3 346.519 2.447 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]C[C@@H]1CCCCO1)C(C)(C)C ZINC001486425381 1193939760 /nfs/dbraw/zinc/93/97/60/1193939760.db2.gz ZGLKQGDWSUWKSD-HOTGVXAUSA-N 1 3 327.513 2.016 10 0 EEAEHO C[C@H](F)CC[NH+]1CCC([C@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001486446472 1193961475 /nfs/dbraw/zinc/96/14/75/1193961475.db2.gz MNKIBPIYHMJPCL-GJZGRUSLSA-N 1 3 327.488 2.436 10 0 EEAEHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3C)C[C@H]21)N(C)C ZINC001410157813 1197574444 /nfs/dbraw/zinc/57/44/44/1197574444.db2.gz OWUDVQHESASXDS-AKHDSKFASA-N 1 3 329.488 2.129 10 0 EEAEHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccccc3C)C[C@H]21)N(C)C ZINC001410157813 1197574448 /nfs/dbraw/zinc/57/44/48/1197574448.db2.gz OWUDVQHESASXDS-AKHDSKFASA-N 1 3 329.488 2.129 10 0 EEAEHO COc1cc(C[NH2+][C@@H](C)CN(C)C(=O)CN2CC[C@@H](C)C2)ccc1C ZINC001410439513 1197901104 /nfs/dbraw/zinc/90/11/04/1197901104.db2.gz RGWYTVKGRPPUEX-WBVHZDCISA-N 1 3 347.503 2.282 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cccnc1C ZINC001410501885 1198057108 /nfs/dbraw/zinc/05/71/08/1198057108.db2.gz HZTMHRCGWMGXLD-MAUKXSAKSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872309474 1198140163 /nfs/dbraw/zinc/14/01/63/1198140163.db2.gz XITXCQQZGVJXOU-PXTVJIAFSA-N 1 3 325.456 2.257 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ocnc3C)[C@@H]2C1 ZINC001410914550 1198569606 /nfs/dbraw/zinc/56/96/06/1198569606.db2.gz GZNMEQDKLUINSE-BBWFWOEESA-N 1 3 348.491 2.042 10 0 EEAEHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810194522 1199348066 /nfs/dbraw/zinc/34/80/66/1199348066.db2.gz DJVYGKGQSKYDLR-VKJFTORMSA-N 1 3 327.488 2.436 10 0 EEAEHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810194522 1199348071 /nfs/dbraw/zinc/34/80/71/1199348071.db2.gz DJVYGKGQSKYDLR-VKJFTORMSA-N 1 3 327.488 2.436 10 0 EEAEHO CC[NH+](CC)CCN(CCOC)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810496039 1199532931 /nfs/dbraw/zinc/53/29/31/1199532931.db2.gz SYZAOMZYMHWQSN-GOSISDBHSA-N 1 3 345.503 2.016 10 0 EEAEHO COC(=O)[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000886636412 1202537655 /nfs/dbraw/zinc/53/76/55/1202537655.db2.gz NDXNXQIJLIFJEM-ZWKOTPCHSA-N 1 3 331.460 2.225 10 0 EEAEHO Cc1ccc(CNC/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C)c(C)n1 ZINC001274519306 1205065851 /nfs/dbraw/zinc/06/58/51/1205065851.db2.gz PZMJEEBZPIPELJ-LKGOPFMKSA-N 1 3 332.492 2.047 10 0 EEAEHO CN(CCCNCc1ccncc1Cl)C(=O)C1CC[NH+](C)CC1 ZINC001276208188 1205833437 /nfs/dbraw/zinc/83/34/37/1205833437.db2.gz BPNVSVZSMJVOBC-UHFFFAOYSA-N 1 3 338.883 2.015 10 0 EEAEHO CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1cccc(F)c1F)N(C)C ZINC001276231869 1205845801 /nfs/dbraw/zinc/84/58/01/1205845801.db2.gz GNSZQWDWAHOSQU-HNNXBMFYSA-N 1 3 327.419 2.243 10 0 EEAEHO CC1(C)[C@H](NCC2(N3CCOCC3)CCCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925504863 1206120939 /nfs/dbraw/zinc/12/09/39/1206120939.db2.gz MBSOODBTRAIYDK-FGTMMUONSA-N 1 3 335.536 2.388 10 0 EEAEHO CC1(C)[C@H]([NH2+]CC2(N3CCOCC3)CCCCC2)[C@@H]2CCCN[C@@H]21 ZINC000925504863 1206120942 /nfs/dbraw/zinc/12/09/42/1206120942.db2.gz MBSOODBTRAIYDK-FGTMMUONSA-N 1 3 335.536 2.388 10 0 EEAEHO O=C(CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)NCc1ccccc1 ZINC000925541568 1206125417 /nfs/dbraw/zinc/12/54/17/1206125417.db2.gz BPBGIVLSDUKARK-RBUKOAKNSA-N 1 3 329.488 2.451 10 0 EEAEHO O[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)COc1ccc(F)cc1 ZINC000925563634 1206128658 /nfs/dbraw/zinc/12/86/58/1206128658.db2.gz OTGNUYCQEJBMDN-NEWSRXKRSA-N 1 3 336.451 2.323 10 0 EEAEHO Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925581155 1206131699 /nfs/dbraw/zinc/13/16/99/1206131699.db2.gz PZEPGBLZZISRFL-SJORKVTESA-N 1 3 333.476 2.466 10 0 EEAEHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1sccc1Br ZINC000925762799 1206151552 /nfs/dbraw/zinc/15/15/52/1206151552.db2.gz OIORPXBJNMYHKP-UMNHJUIQSA-N 1 3 333.295 2.395 10 0 EEAEHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+](C)[C@H]3C)cc2)CC1 ZINC000928444322 1206384625 /nfs/dbraw/zinc/38/46/25/1206384625.db2.gz KQXXWZXUFLTWSM-LPHOPBHVSA-N 1 3 344.503 2.039 10 0 EEAEHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](C)[C@H]3C)cc2)CC1 ZINC000928444322 1206384627 /nfs/dbraw/zinc/38/46/27/1206384627.db2.gz KQXXWZXUFLTWSM-LPHOPBHVSA-N 1 3 344.503 2.039 10 0 EEAEHO CCOc1ccc(NC(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OCC ZINC000903496561 1240673153 /nfs/dbraw/zinc/67/31/53/1240673153.db2.gz SIMCQWIGDSJEFL-HUUCEWRRSA-N 1 3 349.475 2.339 10 0 EEAEHO O[C@@H](C[C@@H]1COCCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000903896956 1242376926 /nfs/dbraw/zinc/37/69/26/1242376926.db2.gz BVQYTNCFXDCPLF-YGDSSSOMSA-N 1 3 330.472 2.342 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@H]2c2ccc(O)cc2)cnn1C ZINC000903904383 1242415512 /nfs/dbraw/zinc/41/55/12/1242415512.db2.gz TYXNWQRHWHWOGQ-BEFAXECRSA-N 1 3 328.460 2.389 10 0 EEAEHO COC(=O)N(C)CCN(C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000827335759 1247921159 /nfs/dbraw/zinc/92/11/59/1247921159.db2.gz YETHQDKSOACXEI-UHFFFAOYSA-N 1 3 349.475 2.291 10 0 EEAEHO CC(C)N(C)CC(=O)NC1CCC([NH2+]CCc2ccns2)CC1 ZINC001491370577 1259004457 /nfs/dbraw/zinc/00/44/57/1259004457.db2.gz SHUHQOPTTMSUIU-UHFFFAOYSA-N 1 3 338.521 2.043 10 0 EEAEHO CCCCOCC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001273445230 1278416821 /nfs/dbraw/zinc/41/68/21/1278416821.db2.gz JVTGWUXWJNZSBW-ROUUACIJSA-N 1 3 339.524 2.116 10 0 EEAEHO CCCCOCC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001273445230 1278416829 /nfs/dbraw/zinc/41/68/29/1278416829.db2.gz JVTGWUXWJNZSBW-ROUUACIJSA-N 1 3 339.524 2.116 10 0 EEAEHO CCN(CCNCc1cccc(F)c1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001273569305 1279994269 /nfs/dbraw/zinc/99/42/69/1279994269.db2.gz LZKYGTQAACZQAL-RDJZCZTQSA-N 1 3 335.467 2.494 10 0 EEAEHO CCN(CCNCc1cccc(F)c1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001273569305 1279994270 /nfs/dbraw/zinc/99/42/70/1279994270.db2.gz LZKYGTQAACZQAL-RDJZCZTQSA-N 1 3 335.467 2.494 10 0 EEAEHO Cc1noc(C)c1CN[C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001490309117 1291179793 /nfs/dbraw/zinc/17/97/93/1291179793.db2.gz YBAVEAWQXAEVLZ-YOEHRIQHSA-N 1 3 336.480 2.102 10 0 EEAEHO CCO[C@H](CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)C[NH+](C)C ZINC000926964493 1296972027 /nfs/dbraw/zinc/97/20/27/1296972027.db2.gz XJOVWDKVPPPOQF-HUUCEWRRSA-N 1 3 343.512 2.331 10 0 EEAEHO CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCOCC2CC2)C1)N(C)C ZINC001264122534 1322634530 /nfs/dbraw/zinc/63/45/30/1322634530.db2.gz ONNHZCBPXFRZSC-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001281572219 1325304102 /nfs/dbraw/zinc/30/41/02/1325304102.db2.gz PTNAVHZACCAHPA-IRXDYDNUSA-N 1 3 341.540 2.216 10 0 EEAEHO COCCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001281572219 1325304111 /nfs/dbraw/zinc/30/41/11/1325304111.db2.gz PTNAVHZACCAHPA-IRXDYDNUSA-N 1 3 341.540 2.216 10 0 EEAEHO C[C@@H](CCCNCc1ccns1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001283229758 1325963305 /nfs/dbraw/zinc/96/33/05/1325963305.db2.gz PNINJLIPPMVPCU-KKUMJFAQSA-N 1 3 338.521 2.248 10 0 EEAEHO C[C@@H](CCCNCc1ccns1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001283229758 1325963306 /nfs/dbraw/zinc/96/33/06/1325963306.db2.gz PNINJLIPPMVPCU-KKUMJFAQSA-N 1 3 338.521 2.248 10 0 EEAEHO Cc1ncoc1CN(C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001283340963 1326018979 /nfs/dbraw/zinc/01/89/79/1326018979.db2.gz UFQBLFKBOMDQLF-UHFFFAOYSA-N 1 3 336.480 2.138 10 0 EEAEHO Cc1ncc(CN2CCC[C@H]2CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001317433548 1332237526 /nfs/dbraw/zinc/23/75/26/1332237526.db2.gz FSOUGUHGVOVCNR-IAGOWNOFSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncc(CN2CCC[C@H]2CCCNC(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001317433548 1332237530 /nfs/dbraw/zinc/23/75/30/1332237530.db2.gz FSOUGUHGVOVCNR-IAGOWNOFSA-N 1 3 348.491 2.186 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CCCCC(F)(F)F)C2)C1 ZINC001317530463 1332285954 /nfs/dbraw/zinc/28/59/54/1332285954.db2.gz XKYDSHYMRRAYSQ-GJZGRUSLSA-N 1 3 349.441 2.499 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CCCCC(F)(F)F)C2)C1 ZINC001317530463 1332285960 /nfs/dbraw/zinc/28/59/60/1332285960.db2.gz XKYDSHYMRRAYSQ-GJZGRUSLSA-N 1 3 349.441 2.499 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H](OC)c1ccccc1 ZINC001317663515 1332357761 /nfs/dbraw/zinc/35/77/61/1332357761.db2.gz GQLIAXORMRHMTQ-RBUKOAKNSA-N 1 3 347.503 2.297 10 0 EEAEHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCNCc1cnn(C(C)(C)C)c1 ZINC001317668521 1332360960 /nfs/dbraw/zinc/36/09/60/1332360960.db2.gz DJOIUMHOLVDPHI-HOTGVXAUSA-N 1 3 349.523 2.059 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2conc2C)C1)N(C)C ZINC001318807211 1332602769 /nfs/dbraw/zinc/60/27/69/1332602769.db2.gz WYGLFTDVFIBALD-NVXWUHKLSA-N 1 3 336.480 2.042 10 0 EEAEHO C[C@H](C[NH2+]CC[C@H]1CCCC1(F)F)N(C)C(=O)Cc1c[nH]cn1 ZINC001319537689 1332717382 /nfs/dbraw/zinc/71/73/82/1332717382.db2.gz JHWWSWFGKKOAFP-CHWSQXEVSA-N 1 3 328.407 2.214 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1oc(C)nc1C ZINC001320643518 1332927768 /nfs/dbraw/zinc/92/77/68/1332927768.db2.gz FSTPARYTVPRAMF-CJNGLKHVSA-N 1 3 336.480 2.150 10 0 EEAEHO CCc1ccccc1CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCN1C ZINC001320999260 1332994764 /nfs/dbraw/zinc/99/47/64/1332994764.db2.gz UCGABWMARYYHPR-LIXSYLKWSA-N 1 3 329.488 2.148 10 0 EEAEHO COc1cccc(CNC/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1C ZINC001321066617 1333009967 /nfs/dbraw/zinc/00/99/67/1333009967.db2.gz MEUAFDQPOWPAHD-WXFDERKXSA-N 1 3 345.487 2.106 10 0 EEAEHO COc1cccc(CNC/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1C ZINC001321066617 1333009970 /nfs/dbraw/zinc/00/99/70/1333009970.db2.gz MEUAFDQPOWPAHD-WXFDERKXSA-N 1 3 345.487 2.106 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN[C@H](C)c1cnccn1 ZINC001322590688 1333289100 /nfs/dbraw/zinc/28/91/00/1333289100.db2.gz HGPPXINMCPQDKE-AEFFLSMTSA-N 1 3 347.507 2.096 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CCCN[C@H](C)c1cnccn1 ZINC001322590688 1333289104 /nfs/dbraw/zinc/28/91/04/1333289104.db2.gz HGPPXINMCPQDKE-AEFFLSMTSA-N 1 3 347.507 2.096 10 0 EEAEHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCOC(C)C ZINC001323142638 1333395245 /nfs/dbraw/zinc/39/52/45/1333395245.db2.gz JJEJPPIHGSPKPQ-DLBZAZTESA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C[NH2+]CCCF ZINC001325598305 1333920853 /nfs/dbraw/zinc/92/08/53/1333920853.db2.gz JFKHGPUUGUDIRL-QAPCUYQASA-N 1 3 335.467 2.406 10 0 EEAEHO Cc1ncc(C[NH2+]CCC[C@H](C)NC(=O)C2(N(C)C)CCC2)s1 ZINC001330836869 1334912146 /nfs/dbraw/zinc/91/21/46/1334912146.db2.gz SAEAXRJKPUQQQG-ZDUSSCGKSA-N 1 3 338.521 2.310 10 0 EEAEHO CN(C[C@@H](O)C[NH2+]CCCC(C)(C)C)C(=O)C(C)(C)N1CCCC1 ZINC001332553618 1335848363 /nfs/dbraw/zinc/84/83/63/1335848363.db2.gz WQDJSSLGVBZKOX-INIZCTEOSA-N 1 3 341.540 2.096 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)s1 ZINC001668214854 1355900912 /nfs/dbraw/zinc/90/09/12/1355900912.db2.gz QNPJKUVANOSVIQ-CHWSQXEVSA-N 1 3 338.521 2.086 10 0 EEAEHO CCN(CCNCc1ncccc1C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001668652586 1355980265 /nfs/dbraw/zinc/98/02/65/1355980265.db2.gz QZVMQADQRUFAJZ-GOSISDBHSA-N 1 3 332.492 2.203 10 0 EEAEHO CCN(CCNCc1ncccc1C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001668652586 1355980269 /nfs/dbraw/zinc/98/02/69/1355980269.db2.gz QZVMQADQRUFAJZ-GOSISDBHSA-N 1 3 332.492 2.203 10 0 EEAEHO c1cc(C[NH2+]Cc2ccc(-n3ccnc3)nc2)n(-c2ccncc2)n1 ZINC001560258361 1342510579 /nfs/dbraw/zinc/51/05/79/1342510579.db2.gz FTUDXJCZFXNYNU-UHFFFAOYSA-N 1 3 331.383 2.138 10 0 EEAEHO CCc1ccccc1CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001567136244 1342699512 /nfs/dbraw/zinc/69/95/12/1342699512.db2.gz WAUSNCBNNIBPJQ-FXAWDEMLSA-N 1 3 343.515 2.324 10 0 EEAEHO CN(CCNCc1cccnc1)C(=O)c1ccccc1CC[NH+](C)C ZINC001567535473 1342781217 /nfs/dbraw/zinc/78/12/17/1342781217.db2.gz BAXDAQXWKWRXON-UHFFFAOYSA-N 1 3 340.471 2.048 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]CCC1CCOCC1 ZINC001570516696 1343078081 /nfs/dbraw/zinc/07/80/81/1343078081.db2.gz KXCCMRVJDGCAIM-SFHVURJKSA-N 1 3 339.524 2.116 10 0 EEAEHO C[C@@H]1C[C@@H]([NH2+]CCCc2ccsc2)CN1C(=O)Cc1c[nH]cn1 ZINC001676762753 1357195675 /nfs/dbraw/zinc/19/56/75/1357195675.db2.gz NOCVMIYEKYTDSC-CZUORRHYSA-N 1 3 332.473 2.226 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@H](C(F)(F)F)C1 ZINC001677052293 1357271735 /nfs/dbraw/zinc/27/17/35/1357271735.db2.gz OKMVIUHEQKUSBP-HUUCEWRRSA-N 1 3 349.441 2.353 10 0 EEAEHO Cc1ccc(CN(C)CCCNC(=O)CC2CC[NH+](C)CC2)c(C)n1 ZINC001660322316 1354439187 /nfs/dbraw/zinc/43/91/87/1354439187.db2.gz RGRKBPXJGCNJQE-UHFFFAOYSA-N 1 3 346.519 2.368 10 0 EEAEHO CCOCC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001661921778 1354723815 /nfs/dbraw/zinc/72/38/15/1354723815.db2.gz LEGVNAJCFVPATG-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCc2ccccc2F)C1 ZINC001662719038 1354831497 /nfs/dbraw/zinc/83/14/97/1354831497.db2.gz ZXJUDRKKKLQJIM-MRXNPFEDSA-N 1 3 335.467 2.148 10 0 EEAEHO COCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001662761633 1354841335 /nfs/dbraw/zinc/84/13/35/1354841335.db2.gz ZOJGAIPOKMORSE-SJORKVTESA-N 1 3 339.524 2.304 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCOCC2CCC2)C1)N(C)C ZINC001662845253 1354862547 /nfs/dbraw/zinc/86/25/47/1354862547.db2.gz MTJUYEOULVAAIC-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCOCC2CCC2)C1)N(C)C ZINC001662845253 1354862549 /nfs/dbraw/zinc/86/25/49/1354862549.db2.gz MTJUYEOULVAAIC-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO CN(CCNCc1cccnc1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001663931099 1355056358 /nfs/dbraw/zinc/05/63/58/1355056358.db2.gz BXDNWFGCBJKCJF-GOSISDBHSA-N 1 3 344.503 2.284 10 0 EEAEHO CN(CCNCc1cccnc1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001663931099 1355056361 /nfs/dbraw/zinc/05/63/61/1355056361.db2.gz BXDNWFGCBJKCJF-GOSISDBHSA-N 1 3 344.503 2.284 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCCN(CCCOCC)C2)C1 ZINC001665068970 1355270916 /nfs/dbraw/zinc/27/09/16/1355270916.db2.gz IVHAJPCOJNRRTL-ROUUACIJSA-N 1 3 339.524 2.116 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCCN(CCCOCC)C2)C1 ZINC001665068970 1355270922 /nfs/dbraw/zinc/27/09/22/1355270922.db2.gz IVHAJPCOJNRRTL-ROUUACIJSA-N 1 3 339.524 2.116 10 0 EEAEHO Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)CN(C)C1CCC1 ZINC001668865403 1356027691 /nfs/dbraw/zinc/02/76/91/1356027691.db2.gz XEPDGXABJCSTBW-ONEGZZNKSA-N 1 3 333.451 2.380 10 0 EEAEHO CC(C)[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccc2c(c1)COC2)N(C)C ZINC001669150665 1356108300 /nfs/dbraw/zinc/10/83/00/1356108300.db2.gz KPFMJOSCYYSKJR-SFFCAUCYSA-N 1 3 345.487 2.065 10 0 EEAEHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCCNCc1ncc(C)s1 ZINC001670357989 1356326682 /nfs/dbraw/zinc/32/66/82/1356326682.db2.gz YJSKMFUZHHASQJ-HNNXBMFYSA-N 1 3 338.521 2.264 10 0 EEAEHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCCNCc1ncc(C)s1 ZINC001670357989 1356326688 /nfs/dbraw/zinc/32/66/88/1356326688.db2.gz YJSKMFUZHHASQJ-HNNXBMFYSA-N 1 3 338.521 2.264 10 0 EEAEHO CC1CCN(CC(=O)N2CC[C@](C)(C[NH2+]C/C=C\Cl)C2)CC1 ZINC001671794861 1356416440 /nfs/dbraw/zinc/41/64/40/1356416440.db2.gz HHWUZHRVEGESBT-RJIDQJRZSA-N 1 3 327.900 2.299 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001672339377 1356504790 /nfs/dbraw/zinc/50/47/90/1356504790.db2.gz VPLCMLATIOTHIE-PKOBYXMFSA-N 1 3 331.504 2.253 10 0 EEAEHO COCCCCC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001673396767 1356684992 /nfs/dbraw/zinc/68/49/92/1356684992.db2.gz KKWHQVYGNNKFBJ-ROUUACIJSA-N 1 3 339.524 2.116 10 0 EEAEHO COCCCCC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001673396767 1356684994 /nfs/dbraw/zinc/68/49/94/1356684994.db2.gz KKWHQVYGNNKFBJ-ROUUACIJSA-N 1 3 339.524 2.116 10 0 EEAEHO CC(C)OCCC[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001673904469 1356757822 /nfs/dbraw/zinc/75/78/22/1356757822.db2.gz KJPYPCFTYGJMQI-IRXDYDNUSA-N 1 3 341.540 2.216 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCC(C)([NH2+]CCCCCF)CC2)C1 ZINC001673982443 1356767335 /nfs/dbraw/zinc/76/73/35/1356767335.db2.gz YCPQFMOHTRCJTG-MRXNPFEDSA-N 1 3 327.488 2.439 10 0 EEAEHO CC(C)CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001674474410 1356840499 /nfs/dbraw/zinc/84/04/99/1356840499.db2.gz AZEDHFLANOFSIT-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)CCOCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001674474410 1356840503 /nfs/dbraw/zinc/84/05/03/1356840503.db2.gz AZEDHFLANOFSIT-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO CCOCCC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001692329840 1405003923 /nfs/dbraw/zinc/00/39/23/1405003923.db2.gz OEEXJYIRHSNRPN-QZTJIDSGSA-N 1 3 339.524 2.116 10 0 EEAEHO CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1cncs1)N(C)C ZINC001698917163 1405160161 /nfs/dbraw/zinc/16/01/61/1405160161.db2.gz HEONBOFIRWCJDK-HOCLYGCPSA-N 1 3 338.521 2.344 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccnc(Cl)c1 ZINC000822273820 787105264 /nfs/dbraw/zinc/10/52/64/787105264.db2.gz RFOUIXQSSRXQQO-LBPRGKRZSA-N 1 3 327.860 2.129 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccnc(Cl)c1 ZINC000822273820 787105270 /nfs/dbraw/zinc/10/52/70/787105270.db2.gz RFOUIXQSSRXQQO-LBPRGKRZSA-N 1 3 327.860 2.129 10 0 EEAEHO COc1cccc(C)c1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000822982763 787499647 /nfs/dbraw/zinc/49/96/47/787499647.db2.gz USMWJBCDDOPYBL-HNNXBMFYSA-N 1 3 336.480 2.397 10 0 EEAEHO COc1cccc(C)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000822982763 787499653 /nfs/dbraw/zinc/49/96/53/787499653.db2.gz USMWJBCDDOPYBL-HNNXBMFYSA-N 1 3 336.480 2.397 10 0 EEAEHO c1ccc(CN2CC[C@@H]3OCCN(CC[NH+]4CCCC4)[C@H]3C2)cc1 ZINC000844401578 789069178 /nfs/dbraw/zinc/06/91/78/789069178.db2.gz MXYILVFLIDRXDZ-PMACEKPBSA-N 1 3 329.488 2.058 10 0 EEAEHO COc1ccc(CN(C(=O)CN2CC[C@@H](C[NH3+])[C@@H](C)C2)C2CC2)cc1 ZINC000923497252 789671339 /nfs/dbraw/zinc/67/13/39/789671339.db2.gz AWJIRJYOYAJYKT-RDJZCZTQSA-N 1 3 345.487 2.103 10 0 EEAEHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@H]2C)cc1 ZINC000913946045 794625826 /nfs/dbraw/zinc/62/58/26/794625826.db2.gz GADWXBOPXXGVGT-MAUKXSAKSA-N 1 3 332.492 2.420 10 0 EEAEHO COCC[C@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716693162 796443315 /nfs/dbraw/zinc/44/33/15/796443315.db2.gz OCAREXWRXYMXQQ-YRPNKDGESA-N 1 3 332.488 2.417 10 0 EEAEHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@@H](C)O1 ZINC001566226238 1125591232 /nfs/dbraw/zinc/59/12/32/1125591232.db2.gz MNTIHNXDYWNKDG-TVFCKZIOSA-N 1 3 339.524 2.112 10 0 EEAEHO COCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001566533073 1125702525 /nfs/dbraw/zinc/70/25/25/1125702525.db2.gz KMESKEMYNFDNNS-SJORKVTESA-N 1 3 341.540 2.360 10 0 EEAEHO Cc1cccnc1CN[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001437262820 1089407614 /nfs/dbraw/zinc/40/76/14/1089407614.db2.gz GMDWTYLJDKLBHW-WMZOPIPTSA-N 1 3 332.492 2.105 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)NCc1nc(C)cs1 ZINC001437379257 1089626500 /nfs/dbraw/zinc/62/65/00/1089626500.db2.gz GQHODYWZBQSVQZ-HIFRSBDPSA-N 1 3 338.521 2.310 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)NCc1nc(C)cs1 ZINC001437379257 1089626518 /nfs/dbraw/zinc/62/65/18/1089626518.db2.gz GQHODYWZBQSVQZ-HIFRSBDPSA-N 1 3 338.521 2.310 10 0 EEAEHO CCN(CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)CCOC1CCC1 ZINC001437624902 1090136747 /nfs/dbraw/zinc/13/67/47/1090136747.db2.gz GOKNFFDECUHYRK-AEFFLSMTSA-N 1 3 337.508 2.011 10 0 EEAEHO CCN(CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)CCOC1CCC1 ZINC001437624902 1090136766 /nfs/dbraw/zinc/13/67/66/1090136766.db2.gz GOKNFFDECUHYRK-AEFFLSMTSA-N 1 3 337.508 2.011 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001437660851 1090190640 /nfs/dbraw/zinc/19/06/40/1090190640.db2.gz PKKQUCGDXRISOV-MSOLQXFVSA-N 1 3 335.467 2.447 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001437660851 1090190646 /nfs/dbraw/zinc/19/06/46/1090190646.db2.gz PKKQUCGDXRISOV-MSOLQXFVSA-N 1 3 335.467 2.447 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]Cc1cccnc1)C1CC1 ZINC001438415040 1090907674 /nfs/dbraw/zinc/90/76/74/1090907674.db2.gz NRTLJXALKXNGLW-UYAOXDASSA-N 1 3 344.503 2.329 10 0 EEAEHO CC(C)C[C@@H](CNCc1ccns1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001438740823 1091291862 /nfs/dbraw/zinc/29/18/62/1091291862.db2.gz HVRYBTOAXBIPOC-GJZGRUSLSA-N 1 3 338.521 2.105 10 0 EEAEHO CC(C)C[C@@H](CNCc1ccns1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001438740823 1091291867 /nfs/dbraw/zinc/29/18/67/1091291867.db2.gz HVRYBTOAXBIPOC-GJZGRUSLSA-N 1 3 338.521 2.105 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC=C(Cl)Cl)[C@@H](C)C1 ZINC001438771265 1091356172 /nfs/dbraw/zinc/35/61/72/1091356172.db2.gz OONJWYVATDEQKY-QWHCGFSZSA-N 1 3 336.307 2.472 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2cc(C)ccc2OC)CC[N@@H+]1C ZINC001439213639 1091857140 /nfs/dbraw/zinc/85/71/40/1091857140.db2.gz KGGCLKMUGUDWEZ-RYQLBKOJSA-N 1 3 347.503 2.328 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2cc(C)ccc2OC)CC[N@H+]1C ZINC001439213639 1091857147 /nfs/dbraw/zinc/85/71/47/1091857147.db2.gz KGGCLKMUGUDWEZ-RYQLBKOJSA-N 1 3 347.503 2.328 10 0 EEAEHO C[C@@H](CNCc1ccccc1Cl)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001439246680 1091897154 /nfs/dbraw/zinc/89/71/54/1091897154.db2.gz VLRROQDUXJKHLQ-BBRMVZONSA-N 1 3 335.879 2.276 10 0 EEAEHO C[C@H](C[N@H+](C)CCCc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001439371519 1092105557 /nfs/dbraw/zinc/10/55/57/1092105557.db2.gz YZLQYVBUHZRYNF-ZWKOTPCHSA-N 1 3 331.504 2.398 10 0 EEAEHO C[C@H](C[N@@H+](C)CCCc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001439371519 1092105561 /nfs/dbraw/zinc/10/55/61/1092105561.db2.gz YZLQYVBUHZRYNF-ZWKOTPCHSA-N 1 3 331.504 2.398 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ocnc1C ZINC001439414957 1092184174 /nfs/dbraw/zinc/18/41/74/1092184174.db2.gz CRUIWHVIRMESFC-CVEARBPZSA-N 1 3 336.480 2.089 10 0 EEAEHO Cc1cncc(CNC2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)c1 ZINC001439677444 1092619251 /nfs/dbraw/zinc/61/92/51/1092619251.db2.gz PELCUWZSHVKMQH-GOSISDBHSA-N 1 3 344.503 2.249 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@](C)(C[NH2+]Cc3ccccc3F)C2)C1 ZINC001439885524 1092939009 /nfs/dbraw/zinc/93/90/09/1092939009.db2.gz MLKLVYKTSDFOAC-OXJNMPFZSA-N 1 3 347.478 2.496 10 0 EEAEHO CN(C)C1(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCC4CC4)C[C@H]3C2)CCC1 ZINC001448467140 1093479201 /nfs/dbraw/zinc/47/92/01/1093479201.db2.gz UOLYWLMNQHFLLK-RCCFBDPRSA-N 1 3 333.520 2.488 10 0 EEAEHO CN(C)C1(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CCC4CC4)C[C@H]3C2)CCC1 ZINC001448467140 1093479208 /nfs/dbraw/zinc/47/92/08/1093479208.db2.gz UOLYWLMNQHFLLK-RCCFBDPRSA-N 1 3 333.520 2.488 10 0 EEAEHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(F)(F)F)C1)N(C)C ZINC001440402915 1093589994 /nfs/dbraw/zinc/58/99/94/1093589994.db2.gz SXEOUWKAHDDBQI-BFHYXJOUSA-N 1 3 337.430 2.400 10 0 EEAEHO COc1ccc(C)cc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001440800738 1094045617 /nfs/dbraw/zinc/04/56/17/1094045617.db2.gz RVHBPQABEKAETJ-HOTGVXAUSA-N 1 3 347.503 2.471 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H](NCc3coc(C)n3)[C@H]2C1 ZINC001449045333 1094060079 /nfs/dbraw/zinc/06/00/79/1094060079.db2.gz OZNVIHLRFSTSDG-RYQLBKOJSA-N 1 3 348.491 2.042 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H](NCc3coc(C)n3)[C@H]2C1 ZINC001449045333 1094060083 /nfs/dbraw/zinc/06/00/83/1094060083.db2.gz OZNVIHLRFSTSDG-RYQLBKOJSA-N 1 3 348.491 2.042 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(N(C)C)c2)[C@H]1C ZINC001441817510 1095852769 /nfs/dbraw/zinc/85/27/69/1095852769.db2.gz KZDUZRAKMUHVOQ-APWZRJJASA-N 1 3 346.519 2.172 10 0 EEAEHO COc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)ccc1C ZINC001441837503 1095907317 /nfs/dbraw/zinc/90/73/17/1095907317.db2.gz PGBQHKFSWSHVPP-SJLPKXTDSA-N 1 3 347.503 2.423 10 0 EEAEHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1ccc(Cl)c(F)c1 ZINC001442010823 1096215893 /nfs/dbraw/zinc/21/58/93/1096215893.db2.gz OJTMHKGQPWBADM-OCCSQVGLSA-N 1 3 341.858 2.415 10 0 EEAEHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1ccc(Cl)c(F)c1 ZINC001442010823 1096215897 /nfs/dbraw/zinc/21/58/97/1096215897.db2.gz OJTMHKGQPWBADM-OCCSQVGLSA-N 1 3 341.858 2.415 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)NCc1ccc(F)cn1 ZINC001443937023 1098456121 /nfs/dbraw/zinc/45/61/21/1098456121.db2.gz WFZBUUNXDMTWBZ-RDJZCZTQSA-N 1 3 336.455 2.080 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)NCc1ccc(F)cn1 ZINC001443937023 1098456126 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2.278 10 0 EEAEHO Cc1ccccc1CC(=O)N1CCN(C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414700022 313066539 /nfs/dbraw/zinc/06/65/39/313066539.db2.gz UMAKRWRKBKPKBT-ROUUACIJSA-N 1 3 329.488 2.070 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CCC[NH+](C)C)C1 ZINC000543641093 318164720 /nfs/dbraw/zinc/16/47/20/318164720.db2.gz YCFLOCGGVSEEJW-AEFFLSMTSA-N 1 3 332.492 2.415 10 0 EEAEHO COc1ccc(COC[C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000566116951 319247382 /nfs/dbraw/zinc/24/73/82/319247382.db2.gz QZNKARDBYPDNBW-XVLXNVKGSA-N 1 3 348.487 2.178 10 0 EEAEHO COc1ccc(COC[C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000566116951 319247384 /nfs/dbraw/zinc/24/73/84/319247384.db2.gz QZNKARDBYPDNBW-XVLXNVKGSA-N 1 3 348.487 2.178 10 0 EEAEHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCN3CCC2CC3)C1 ZINC000341269652 465085251 /nfs/dbraw/zinc/08/52/51/465085251.db2.gz MBPNAKJUAJNYNY-AEFFLSMTSA-N 1 3 342.487 2.312 10 0 EEAEHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCN3CCC2CC3)C1 ZINC000341269652 465085255 /nfs/dbraw/zinc/08/52/55/465085255.db2.gz MBPNAKJUAJNYNY-AEFFLSMTSA-N 1 3 342.487 2.312 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553162996 468352590 /nfs/dbraw/zinc/35/25/90/468352590.db2.gz BRLGXMGQEBXWPI-MJGOQNOKSA-N 1 3 329.488 2.309 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553162996 468352593 /nfs/dbraw/zinc/35/25/93/468352593.db2.gz BRLGXMGQEBXWPI-MJGOQNOKSA-N 1 3 329.488 2.309 10 0 EEAEHO CN(Cc1ccccc1)C[C@@H](O)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151151309 463485648 /nfs/dbraw/zinc/48/56/48/463485648.db2.gz FHKHYSKGDIDODY-LEWJYISDSA-N 1 3 345.531 2.430 10 0 EEAEHO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000170834938 463718883 /nfs/dbraw/zinc/71/88/83/463718883.db2.gz VQPJVABOAVDAQD-RBUKOAKNSA-N 1 3 344.503 2.387 10 0 EEAEHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000170863086 463724762 /nfs/dbraw/zinc/72/47/62/463724762.db2.gz TWWDXNBNNCWCRM-MSOLQXFVSA-N 1 3 332.492 2.415 10 0 EEAEHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171898045 463944504 /nfs/dbraw/zinc/94/45/04/463944504.db2.gz JLSRUHABOZMMJG-CVEARBPZSA-N 1 3 348.516 2.375 10 0 EEAEHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171898045 463944512 /nfs/dbraw/zinc/94/45/12/463944512.db2.gz JLSRUHABOZMMJG-CVEARBPZSA-N 1 3 348.516 2.375 10 0 EEAEHO CCN1CCN(CCCC[NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000279228377 464071157 /nfs/dbraw/zinc/07/11/57/464071157.db2.gz YGWKUGUDAHGVEX-UHFFFAOYSA-N 1 3 341.503 2.380 10 0 EEAEHO C[C@H](CC(=O)N[C@@H](Cc1ccccc1)CN(C)C)[C@@H]1CCC[NH2+]C1 ZINC000237399305 464313803 /nfs/dbraw/zinc/31/38/03/464313803.db2.gz LCDLPYGHSWALSX-QRQLOZEOSA-N 1 3 331.504 2.301 10 0 EEAEHO C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000264476992 464342391 /nfs/dbraw/zinc/34/23/91/464342391.db2.gz HEPXQGNRBLFSHH-KRWDZBQOSA-N 1 3 345.487 2.327 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000246542122 464597504 /nfs/dbraw/zinc/59/75/04/464597504.db2.gz WMGCTERNLCXWKU-KZNAEPCWSA-N 1 3 338.540 2.479 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000246542122 464597507 /nfs/dbraw/zinc/59/75/07/464597507.db2.gz WMGCTERNLCXWKU-KZNAEPCWSA-N 1 3 338.540 2.479 10 0 EEAEHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000362226612 465587213 /nfs/dbraw/zinc/58/72/13/465587213.db2.gz JBJMAPQYDFMFIK-KRWDZBQOSA-N 1 3 347.503 2.431 10 0 EEAEHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000362226612 465587218 /nfs/dbraw/zinc/58/72/18/465587218.db2.gz JBJMAPQYDFMFIK-KRWDZBQOSA-N 1 3 347.503 2.431 10 0 EEAEHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000339939492 465618982 /nfs/dbraw/zinc/61/89/82/465618982.db2.gz CPSJNPRWGOKXQG-SJLPKXTDSA-N 1 3 334.508 2.189 10 0 EEAEHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](N)c2ccccc2)C1 ZINC000417049518 466765691 /nfs/dbraw/zinc/76/56/91/466765691.db2.gz UIPCUQHPDCTYED-WMZOPIPTSA-N 1 3 332.492 2.498 10 0 EEAEHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](N)c2ccccc2)C1 ZINC000417049518 466765698 /nfs/dbraw/zinc/76/56/98/466765698.db2.gz UIPCUQHPDCTYED-WMZOPIPTSA-N 1 3 332.492 2.498 10 0 EEAEHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417323296 466834100 /nfs/dbraw/zinc/83/41/00/466834100.db2.gz GUCSBLIFPWHKOJ-ZWKOTPCHSA-N 1 3 346.519 2.320 10 0 EEAEHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417666110 466904062 /nfs/dbraw/zinc/90/40/62/466904062.db2.gz FCMWEKFWNMMGTH-CEXWTWQISA-N 1 3 342.487 2.044 10 0 EEAEHO CC[NH2+][C@H](C)CNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417742149 466922181 /nfs/dbraw/zinc/92/21/81/466922181.db2.gz VTECXIUOWRDLCW-IIAWOOMASA-N 1 3 338.521 2.428 10 0 EEAEHO C[C@@H](CCCC[NH3+])NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418667320 467143347 /nfs/dbraw/zinc/14/33/47/467143347.db2.gz FGYAKSYJDAOBPV-FUHWJXTLSA-N 1 3 332.492 2.420 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000398087029 467447569 /nfs/dbraw/zinc/44/75/69/467447569.db2.gz UPXIWPXLUDAGKC-QRQLOZEOSA-N 1 3 329.488 2.403 10 0 EEAEHO Fc1ccc(CC[NH+]2CCC(N[C@H]3CNCCC3(F)F)CC2)cc1 ZINC000415007529 467466535 /nfs/dbraw/zinc/46/65/35/467466535.db2.gz UYAOICPAPFAONO-KRWDZBQOSA-N 1 3 341.421 2.419 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)NCCCC(C)(F)F)CC2)CC1 ZINC000454442230 467593305 /nfs/dbraw/zinc/59/33/05/467593305.db2.gz BRWJDTBBNMACRG-UHFFFAOYSA-N 1 3 346.466 2.280 10 0 EEAEHO C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N(C)C ZINC000454481208 467595981 /nfs/dbraw/zinc/59/59/81/467595981.db2.gz IFSVCRBLUJNKBL-UXDRXVOSSA-N 1 3 344.503 2.431 10 0 EEAEHO C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N(C)C ZINC000454481208 467595983 /nfs/dbraw/zinc/59/59/83/467595983.db2.gz IFSVCRBLUJNKBL-UXDRXVOSSA-N 1 3 344.503 2.431 10 0 EEAEHO C[C@@H](Cc1ccoc1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000449216462 467624053 /nfs/dbraw/zinc/62/40/53/467624053.db2.gz SMIPPBDYXUNKMY-LPHOPBHVSA-N 1 3 343.471 2.089 10 0 EEAEHO C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000449228130 467624477 /nfs/dbraw/zinc/62/44/77/467624477.db2.gz XKRKYTXOBPILBO-HNNXBMFYSA-N 1 3 329.444 2.292 10 0 EEAEHO CN(CCNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000489076330 468119189 /nfs/dbraw/zinc/11/91/89/468119189.db2.gz MEFIWXCDXLTSGE-HXUWFJFHSA-N 1 3 344.503 2.435 10 0 EEAEHO CN(CCNC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000489076330 468119192 /nfs/dbraw/zinc/11/91/92/468119192.db2.gz MEFIWXCDXLTSGE-HXUWFJFHSA-N 1 3 344.503 2.435 10 0 EEAEHO NC[C@H]1c2ccccc2CCN1C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000563169859 469187413 /nfs/dbraw/zinc/18/74/13/469187413.db2.gz MZRPTQODWLIMKR-FQEVSTJZSA-N 1 3 335.451 2.073 10 0 EEAEHO O=C(NC[C@@H]1NCCc2ccccc21)NC1CC([NH+]2CCCCC2)C1 ZINC000573701268 469189416 /nfs/dbraw/zinc/18/94/16/469189416.db2.gz JSZPEXLUCKKUQT-TVPLGVNVSA-N 1 3 342.487 2.190 10 0 EEAEHO CS[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596318658 469242416 /nfs/dbraw/zinc/24/24/16/469242416.db2.gz PLPULNXCRGSLRF-HRCADAONSA-N 1 3 344.569 2.232 10 0 EEAEHO CS[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596318658 469242420 /nfs/dbraw/zinc/24/24/20/469242420.db2.gz PLPULNXCRGSLRF-HRCADAONSA-N 1 3 344.569 2.232 10 0 EEAEHO COc1ncc(Br)cc1CNC[C@H]1CC[NH2+][C@@H](C)C1 ZINC000629656400 469600112 /nfs/dbraw/zinc/60/01/12/469600112.db2.gz OGRFISZJNJTZDF-QWRGUYRKSA-N 1 3 328.254 2.330 10 0 EEAEHO Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2c1CCC2 ZINC000617503515 469702360 /nfs/dbraw/zinc/70/23/60/469702360.db2.gz MSKQKDNOJKLOLJ-INIZCTEOSA-N 1 3 331.504 2.486 10 0 EEAEHO Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2c1CCC2 ZINC000617503515 469702365 /nfs/dbraw/zinc/70/23/65/469702365.db2.gz MSKQKDNOJKLOLJ-INIZCTEOSA-N 1 3 331.504 2.486 10 0 EEAEHO CC[C@@H](C)n1nc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1C ZINC000617506282 469706032 /nfs/dbraw/zinc/70/60/32/469706032.db2.gz IPWAMRYQFPQPSF-LSDHHAIUSA-N 1 3 337.512 2.164 10 0 EEAEHO CC[C@@H](C)n1nc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1C ZINC000617506282 469706036 /nfs/dbraw/zinc/70/60/36/469706036.db2.gz IPWAMRYQFPQPSF-LSDHHAIUSA-N 1 3 337.512 2.164 10 0 EEAEHO COc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1C ZINC000626756326 469707970 /nfs/dbraw/zinc/70/79/70/469707970.db2.gz LPIBBUZSHLZQJO-AWEZNQCLSA-N 1 3 336.480 2.397 10 0 EEAEHO COc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1C ZINC000626756326 469707973 /nfs/dbraw/zinc/70/79/73/469707973.db2.gz LPIBBUZSHLZQJO-AWEZNQCLSA-N 1 3 336.480 2.397 10 0 EEAEHO COc1ccc2occ(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2c1 ZINC000617508154 469708010 /nfs/dbraw/zinc/70/80/10/469708010.db2.gz VDUQPBVCWKYLOR-AWEZNQCLSA-N 1 3 347.459 2.443 10 0 EEAEHO COc1ccc2occ(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2c1 ZINC000617508154 469708014 /nfs/dbraw/zinc/70/80/14/469708014.db2.gz VDUQPBVCWKYLOR-AWEZNQCLSA-N 1 3 347.459 2.443 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000626957747 469768902 /nfs/dbraw/zinc/76/89/02/469768902.db2.gz YPJBSIUYUOYWJD-XJKSGUPXSA-N 1 3 336.505 2.010 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C[NH2+]1 ZINC000627017024 469791451 /nfs/dbraw/zinc/79/14/51/469791451.db2.gz YGEUPXXRZWOLJO-YVWKXTFCSA-N 1 3 344.503 2.481 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000627243871 469855529 /nfs/dbraw/zinc/85/55/29/469855529.db2.gz XQDQAZNSWXYDMH-ILZDJORESA-N 1 3 342.487 2.044 10 0 EEAEHO CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)N1 ZINC000620904682 469946216 /nfs/dbraw/zinc/94/62/16/469946216.db2.gz WQPFITXFSWAWQW-QXAKKESOSA-N 1 3 329.488 2.498 10 0 EEAEHO CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)N1 ZINC000620904682 469946219 /nfs/dbraw/zinc/94/62/19/469946219.db2.gz WQPFITXFSWAWQW-QXAKKESOSA-N 1 3 329.488 2.498 10 0 EEAEHO CCOc1cncc(CNCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000621369547 470038948 /nfs/dbraw/zinc/03/89/48/470038948.db2.gz QAOMUMGCMXSNKE-UHFFFAOYSA-N 1 3 333.476 2.461 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[N@@H+]1C ZINC000633491564 470483643 /nfs/dbraw/zinc/48/36/43/470483643.db2.gz BNESWOLXQDTOLB-VNTMZGSJSA-N 1 3 341.499 2.450 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[N@H+]1C ZINC000633491564 470483648 /nfs/dbraw/zinc/48/36/48/470483648.db2.gz BNESWOLXQDTOLB-VNTMZGSJSA-N 1 3 341.499 2.450 10 0 EEAEHO NCc1nnc(-c2ccc(NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])cc2)[nH]1 ZINC000647001695 470801853 /nfs/dbraw/zinc/80/18/53/470801853.db2.gz PAYIPTRUZRUGOP-HUUCEWRRSA-N 1 3 342.447 2.167 10 0 EEAEHO C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654503023 471043215 /nfs/dbraw/zinc/04/32/15/471043215.db2.gz ZPFIMWLOOKNPFS-HIEASXQVSA-N 1 3 336.524 2.423 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC000645205343 471175135 /nfs/dbraw/zinc/17/51/35/471175135.db2.gz UWZALQQIGOXAGK-BFYDXBDKSA-N 1 3 334.508 2.033 10 0 EEAEHO CO[C@H](C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)[C@H]1CCOC1 ZINC000658075370 471264546 /nfs/dbraw/zinc/26/45/46/471264546.db2.gz XKJSWVXMFPGADZ-HHXXYDBFSA-N 1 3 336.476 2.329 10 0 EEAEHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1nc2ccccc2n1C ZINC000658107704 471266334 /nfs/dbraw/zinc/26/63/34/471266334.db2.gz NKBVISXCSMTGLB-JKSUJKDBSA-N 1 3 331.508 2.496 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H](C)c1ccccc1 ZINC000663456801 471387576 /nfs/dbraw/zinc/38/75/76/471387576.db2.gz CXBRTUGQWWGGPJ-SJORKVTESA-N 1 3 334.508 2.361 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H](C)c1ccccc1 ZINC000663456801 471387580 /nfs/dbraw/zinc/38/75/80/471387580.db2.gz CXBRTUGQWWGGPJ-SJORKVTESA-N 1 3 334.508 2.361 10 0 EEAEHO CN(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCN(C2CC2)C1 ZINC000666664404 471487860 /nfs/dbraw/zinc/48/78/60/471487860.db2.gz DFIPNLIEUAHDPM-YJBOKZPZSA-N 1 3 334.508 2.272 10 0 EEAEHO CN(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCN(C2CC2)C1 ZINC000666664404 471487866 /nfs/dbraw/zinc/48/78/66/471487866.db2.gz DFIPNLIEUAHDPM-YJBOKZPZSA-N 1 3 334.508 2.272 10 0 EEAEHO CC(C)Oc1ccc2nccc(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)c2c1 ZINC000656219173 471638604 /nfs/dbraw/zinc/63/86/04/471638604.db2.gz MSFSQKFIEANPRO-LSDHHAIUSA-N 1 3 327.428 2.277 10 0 EEAEHO CC(C)Oc1ccc2nccc(N3CC[N@H+]4C[C@H](O)C[C@H]4C3)c2c1 ZINC000656219173 471638609 /nfs/dbraw/zinc/63/86/09/471638609.db2.gz MSFSQKFIEANPRO-LSDHHAIUSA-N 1 3 327.428 2.277 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000659493153 471654737 /nfs/dbraw/zinc/65/47/37/471654737.db2.gz QWFGEMSWACMZDD-JQHSSLGASA-N 1 3 332.492 2.322 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000659624857 471702390 /nfs/dbraw/zinc/70/23/90/471702390.db2.gz ZCMZLDKXZNUKAJ-ZWKOTPCHSA-N 1 3 332.492 2.276 10 0 EEAEHO CCN(C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCN(C)C1 ZINC000664630182 471816974 /nfs/dbraw/zinc/81/69/74/471816974.db2.gz QPCAELBVLBYWEF-SOLBZPMBSA-N 1 3 336.524 2.375 10 0 EEAEHO CCN(C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCN(C)C1 ZINC000664630182 471816978 /nfs/dbraw/zinc/81/69/78/471816978.db2.gz QPCAELBVLBYWEF-SOLBZPMBSA-N 1 3 336.524 2.375 10 0 EEAEHO CCC[C@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CCN1Cc1ccccc1 ZINC000662281146 472054340 /nfs/dbraw/zinc/05/43/40/472054340.db2.gz UDLIURKZRFZPHP-PMACEKPBSA-N 1 3 343.515 2.494 10 0 EEAEHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc2c(s1)CCNC2 ZINC000662397473 472096483 /nfs/dbraw/zinc/09/64/83/472096483.db2.gz FCRRZUOUOCDTKF-INIZCTEOSA-N 1 3 343.496 2.297 10 0 EEAEHO C[NH2+]CC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000662759529 472239183 /nfs/dbraw/zinc/23/91/83/472239183.db2.gz SGRJUIGKKNFUEM-IBGZPJMESA-N 1 3 329.488 2.355 10 0 EEAEHO COCCN(Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCOC1 ZINC000683848792 485661715 /nfs/dbraw/zinc/66/17/15/485661715.db2.gz SCDKCODRZPYFNU-IBGZPJMESA-N 1 3 348.487 2.399 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000626955114 485694898 /nfs/dbraw/zinc/69/48/98/485694898.db2.gz UBFDDYLTOSBWGL-CEXWTWQISA-N 1 3 344.503 2.338 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)NCC3([NH+](C)C)CCC3)cc2)CC1 ZINC000438509829 535745303 /nfs/dbraw/zinc/74/53/03/535745303.db2.gz BDTNZMBQWRCVPW-UHFFFAOYSA-N 1 3 344.503 2.043 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)CC[N@@H+]1C ZINC000899048241 693584421 /nfs/dbraw/zinc/58/44/21/693584421.db2.gz YHYCDXZPWUWDNP-SWLSCSKDSA-N 1 3 349.866 2.380 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)CC[N@H+]1C ZINC000899048241 693584424 /nfs/dbraw/zinc/58/44/24/693584424.db2.gz YHYCDXZPWUWDNP-SWLSCSKDSA-N 1 3 349.866 2.380 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1nccnc1C ZINC001485751103 1191932087 /nfs/dbraw/zinc/93/20/87/1191932087.db2.gz IIGNDQDTVPRMIU-CRAIPNDOSA-N 1 3 347.507 2.034 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1nccnc1C ZINC001485751104 1191932162 /nfs/dbraw/zinc/93/21/62/1191932162.db2.gz IIGNDQDTVPRMIU-MAUKXSAKSA-N 1 3 347.507 2.034 10 0 EEAEHO CC(C)OCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001481111244 1179762353 /nfs/dbraw/zinc/76/23/53/1179762353.db2.gz BQIPNELYGMFEEQ-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)OCC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001481111244 1179762357 /nfs/dbraw/zinc/76/23/57/1179762357.db2.gz BQIPNELYGMFEEQ-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CC1CCN(CC(=O)N(C)CC[NH2+]CCc2ccccc2F)CC1 ZINC001481294599 1180935518 /nfs/dbraw/zinc/93/55/18/1180935518.db2.gz BWTWTMDWMMLGOV-UHFFFAOYSA-N 1 3 335.467 2.148 10 0 EEAEHO Cc1nc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)cs1 ZINC001268108770 1181753779 /nfs/dbraw/zinc/75/37/79/1181753779.db2.gz DQZQMWZGDZAHLI-CZUORRHYSA-N 1 3 340.537 2.017 10 0 EEAEHO C[C@@H](CC[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)C1(N(C)C)CCC1 ZINC001268369310 1182355255 /nfs/dbraw/zinc/35/52/55/1182355255.db2.gz VEPCWTUYZTVMOE-KBPBESRZSA-N 1 3 331.451 2.391 10 0 EEAEHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001481850743 1182801132 /nfs/dbraw/zinc/80/11/32/1182801132.db2.gz OYJVZFMDAZTGCI-YJBOKZPZSA-N 1 3 347.503 2.330 10 0 EEAEHO CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2ccccn2)CC1)N(C)C ZINC001482007153 1183129091 /nfs/dbraw/zinc/12/90/91/1183129091.db2.gz IQJHDFDAPJGMPR-GOSISDBHSA-N 1 3 332.492 2.140 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001268574876 1183315056 /nfs/dbraw/zinc/31/50/56/1183315056.db2.gz MSLAWPLMXLHSAB-FFPCURRISA-N 1 3 327.472 2.420 10 0 EEAEHO COc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)c1 ZINC001268576971 1183326056 /nfs/dbraw/zinc/32/60/56/1183326056.db2.gz XUEHSLLJVOPYJD-UGZKAYFTSA-N 1 3 331.460 2.112 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cncs1 ZINC001482149571 1183467750 /nfs/dbraw/zinc/46/77/50/1183467750.db2.gz SHCBKLIYWXRCEV-HOCLYGCPSA-N 1 3 338.521 2.248 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C\C[NH2+][C@@H]1CCc2c1cccc2F ZINC001268624716 1183547543 /nfs/dbraw/zinc/54/75/43/1183547543.db2.gz FUCUPQOUORACEP-QFRLHKFZSA-N 1 3 331.435 2.171 10 0 EEAEHO CC(C)(C(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCF)N1CCCCC1 ZINC001268757637 1183677394 /nfs/dbraw/zinc/67/73/94/1183677394.db2.gz DJVDDTHCDGBGMO-HZPDHXFCSA-N 1 3 327.488 2.485 10 0 EEAEHO CCc1nocc1C[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001269895228 1184701058 /nfs/dbraw/zinc/70/10/58/1184701058.db2.gz MBGRKBROBQXHHE-GOSISDBHSA-N 1 3 348.491 2.050 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCCC(F)(F)F ZINC001270023437 1184794681 /nfs/dbraw/zinc/79/46/81/1184794681.db2.gz ZMQMHPJRJTZTKR-KBPBESRZSA-N 1 3 335.414 2.394 10 0 EEAEHO Cc1cc(C)cc(OCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001270923067 1185743442 /nfs/dbraw/zinc/74/34/42/1185743442.db2.gz YNPCIFMPYVDVDD-HKUYNNGSSA-N 1 3 347.503 2.213 10 0 EEAEHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCC(F)(F)F ZINC001271629551 1186343774 /nfs/dbraw/zinc/34/37/74/1186343774.db2.gz PEYXAAXIWWJWJJ-QWHCGFSZSA-N 1 3 335.414 2.107 10 0 EEAEHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1CNCc1cscn1 ZINC001271698725 1186378890 /nfs/dbraw/zinc/37/88/90/1186378890.db2.gz FNIZTUAFTBLJJX-CABCVRRESA-N 1 3 338.521 2.059 10 0 EEAEHO Cc1ncc(CNC[C@@H]2CCC[C@@H]2NC(=O)CC[NH+]2CCCCC2)o1 ZINC001482699701 1187677259 /nfs/dbraw/zinc/67/72/59/1187677259.db2.gz ZDHFDGOTEMVCIM-WMZOPIPTSA-N 1 3 348.491 2.234 10 0 EEAEHO CN(CC[NH2+]Cc1ccc(C(F)F)cc1)C(=O)CN1CCCC1 ZINC001691602713 1188302482 /nfs/dbraw/zinc/30/24/82/1188302482.db2.gz CIYMQHILPJPHJF-UHFFFAOYSA-N 1 3 325.403 2.268 10 0 EEAEHO C[C@@H](CNCc1cncs1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001483296600 1190323315 /nfs/dbraw/zinc/32/33/15/1190323315.db2.gz LSGOGBFDFDYJIN-ZDUSSCGKSA-N 1 3 332.473 2.113 10 0 EEAEHO COc1cccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)c1C ZINC001486095493 1193679755 /nfs/dbraw/zinc/67/97/55/1193679755.db2.gz JLWJLYXEVYSFGY-AEFFLSMTSA-N 1 3 347.503 2.423 10 0 EEAEHO Cc1ccncc1C[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001483578458 1190567000 /nfs/dbraw/zinc/56/70/00/1190567000.db2.gz GNCAJLPILCEZSI-GOSISDBHSA-N 1 3 344.503 2.249 10 0 EEAEHO C[NH+](C)CCC(=O)N1CC[C@H](CCNCc2c(F)cccc2F)C1 ZINC001272553838 1190876384 /nfs/dbraw/zinc/87/63/84/1190876384.db2.gz BUQLZOXOZFKPMX-AWEZNQCLSA-N 1 3 339.430 2.245 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001272653238 1190964220 /nfs/dbraw/zinc/96/42/20/1190964220.db2.gz PGHSJFCZOXEXGA-KRWDZBQOSA-N 1 3 335.467 2.494 10 0 EEAEHO Cc1ncccc1C[NH2+]C[C@@]1(C)CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001484116105 1191218591 /nfs/dbraw/zinc/21/85/91/1191218591.db2.gz VUDJJILGGANTNO-OXQOHEQNSA-N 1 3 344.503 2.060 10 0 EEAEHO C[NH+](C)CCC(=O)NC[C@H]1CC[C@H](CNCc2cscn2)CC1 ZINC001484396258 1191330017 /nfs/dbraw/zinc/33/00/17/1191330017.db2.gz VPALDTOCTGAZEA-SHTZXODSSA-N 1 3 338.521 2.107 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](CC[NH2+]Cc3cccc(F)c3)C2)C1 ZINC001484537938 1191404548 /nfs/dbraw/zinc/40/45/48/1191404548.db2.gz QELAOROZARCZLH-IAGOWNOFSA-N 1 3 347.478 2.496 10 0 EEAEHO CC[C@H](F)CNC1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCC1 ZINC001484640631 1191450145 /nfs/dbraw/zinc/45/01/45/1191450145.db2.gz DVJLEKQMZKHAFI-HOTGVXAUSA-N 1 3 327.488 2.483 10 0 EEAEHO CC[C@H](F)CNC1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCC1 ZINC001484640631 1191450146 /nfs/dbraw/zinc/45/01/46/1191450146.db2.gz DVJLEKQMZKHAFI-HOTGVXAUSA-N 1 3 327.488 2.483 10 0 EEAEHO Cc1nc(C)c(CNCC2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCCCC2)o1 ZINC001485458695 1191797474 /nfs/dbraw/zinc/79/74/74/1191797474.db2.gz OCTXZSFICFQIRI-INIZCTEOSA-N 1 3 348.491 2.152 10 0 EEAEHO Cc1nc(C)c(CNCC2(NC(=O)[C@H]3CC[N@H+](C)C3)CCCCC2)o1 ZINC001485458695 1191797476 /nfs/dbraw/zinc/79/74/76/1191797476.db2.gz OCTXZSFICFQIRI-INIZCTEOSA-N 1 3 348.491 2.152 10 0 EEAEHO CC1CCN(CC(=O)N(C)C2CC([NH2+]CCCCCF)C2)CC1 ZINC001486479421 1193993152 /nfs/dbraw/zinc/99/31/52/1193993152.db2.gz MQDFUGKSUDGYHG-UHFFFAOYSA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1nocc1CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001410307917 1197669487 /nfs/dbraw/zinc/66/94/87/1197669487.db2.gz GEGALWBSEFSRIQ-ROUUACIJSA-N 1 3 348.491 2.182 10 0 EEAEHO Cc1nocc1CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001410307917 1197669489 /nfs/dbraw/zinc/66/94/89/1197669489.db2.gz GEGALWBSEFSRIQ-ROUUACIJSA-N 1 3 348.491 2.182 10 0 EEAEHO CCN1CCN([C@@H](C)C[NH2+]Cc2cnc3c(F)cccc3c2)CC1 ZINC000865413947 1198204741 /nfs/dbraw/zinc/20/47/41/1198204741.db2.gz DMGIGOCFRUPUJY-HNNXBMFYSA-N 1 3 330.451 2.490 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1N(Cc1ccccn1)CC2 ZINC001410904041 1198561055 /nfs/dbraw/zinc/56/10/55/1198561055.db2.gz KZEMIGLQLACJDH-HKUYNNGSSA-N 1 3 330.476 2.037 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@@H]1N(Cc1ccccn1)CC2 ZINC001410904041 1198561058 /nfs/dbraw/zinc/56/10/58/1198561058.db2.gz KZEMIGLQLACJDH-HKUYNNGSSA-N 1 3 330.476 2.037 10 0 EEAEHO Cc1cc(CN[C@H]2CN(C(=O)CCC[NH+](C)C)CC2(C)C)sn1 ZINC001410984797 1198660695 /nfs/dbraw/zinc/66/06/95/1198660695.db2.gz MTXVDGVPEJYLAP-HNNXBMFYSA-N 1 3 338.521 2.120 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2scnc2C)C(C)(C)C1 ZINC001411074079 1198750883 /nfs/dbraw/zinc/75/08/83/1198750883.db2.gz BRYXQEDVOPFTBK-OAHLLOKOSA-N 1 3 338.521 2.120 10 0 EEAEHO C[NH+]1CCC2(CCCN2C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810847973 1199762578 /nfs/dbraw/zinc/76/25/78/1199762578.db2.gz ROAGZXAHMSLXQX-GOSISDBHSA-N 1 3 325.472 2.286 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(Cl)n1 ZINC000870973629 1200983808 /nfs/dbraw/zinc/98/38/08/1200983808.db2.gz CUIGFCYTDBRLTK-ATGSNQNLSA-N 1 3 336.867 2.080 10 0 EEAEHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000866697296 1201582906 /nfs/dbraw/zinc/58/29/06/1201582906.db2.gz MIUGBKSEKNOMDJ-UFYCRDLUSA-N 1 3 332.488 2.341 10 0 EEAEHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000866697296 1201582910 /nfs/dbraw/zinc/58/29/10/1201582910.db2.gz MIUGBKSEKNOMDJ-UFYCRDLUSA-N 1 3 332.488 2.341 10 0 EEAEHO CCCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C(F)(F)F ZINC001279182876 1204338605 /nfs/dbraw/zinc/33/86/05/1204338605.db2.gz ZKMHUXYNZAPQPK-ZIAGYGMSSA-N 1 3 337.430 2.497 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NC/C=C/CNCc2ccc(Cl)cc2)C1 ZINC001274498856 1205058597 /nfs/dbraw/zinc/05/85/97/1205058597.db2.gz RDMWVHGFZNSOCC-KZSQQDEKSA-N 1 3 335.879 2.444 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NC/C=C/CNCc2ccc(Cl)cc2)C1 ZINC001274498856 1205058602 /nfs/dbraw/zinc/05/86/02/1205058602.db2.gz RDMWVHGFZNSOCC-KZSQQDEKSA-N 1 3 335.879 2.444 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001275572400 1205421400 /nfs/dbraw/zinc/42/14/00/1205421400.db2.gz VKWPIGSBZDWPKC-STQMWFEESA-N 1 3 326.872 2.058 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001275572390 1205421457 /nfs/dbraw/zinc/42/14/57/1205421457.db2.gz VKWPIGSBZDWPKC-CHWSQXEVSA-N 1 3 326.872 2.058 10 0 EEAEHO CN(CCC[NH2+]Cc1cc(F)cc(F)c1)C(=O)CN(C)C1CCC1 ZINC001276047677 1205750531 /nfs/dbraw/zinc/75/05/31/1205750531.db2.gz DUEYZNHOKUOBBL-UHFFFAOYSA-N 1 3 339.430 2.387 10 0 EEAEHO CC[NH+]1CCC(C(=O)N[C@H]2CN(C)CC2(C)C)(c2ccccc2)CC1 ZINC001412675776 1205823896 /nfs/dbraw/zinc/82/38/96/1205823896.db2.gz JLWABKPSRVXXSZ-SFHVURJKSA-N 1 3 343.515 2.497 10 0 EEAEHO CN(CCCNCc1cccc(F)c1F)C(=O)C1CC[NH+](C)CC1 ZINC001276209013 1205834130 /nfs/dbraw/zinc/83/41/30/1205834130.db2.gz NKYVEBDXTACRIS-UHFFFAOYSA-N 1 3 339.430 2.245 10 0 EEAEHO CCN1CCN(CCC[NH2+][C@H]2CCC[C@H]2Cc2cc(C)nn2C)CC1 ZINC000924656967 1206012537 /nfs/dbraw/zinc/01/25/37/1206012537.db2.gz DXEPZCZBRXRGRY-ICSRJNTNSA-N 1 3 347.551 2.057 10 0 EEAEHO C[C@H](C[NH2+][C@@H]1C[C@@H](N)C12CCC2)N1CCN(c2ccccc2)CC1 ZINC000925546862 1206126132 /nfs/dbraw/zinc/12/61/32/1206126132.db2.gz QMXWHBFSHBAZLA-BHIYHBOVSA-N 1 3 328.504 2.057 10 0 EEAEHO CC1(C)[C@@H](NCC[C@@H](O)COCc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925720242 1206146031 /nfs/dbraw/zinc/14/60/31/1206146031.db2.gz XDPCCSCKTKRDHW-YRXWBPOGSA-N 1 3 332.488 2.320 10 0 EEAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC[C@@H](O)COCc1ccccc1 ZINC000925720242 1206146034 /nfs/dbraw/zinc/14/60/34/1206146034.db2.gz XDPCCSCKTKRDHW-YRXWBPOGSA-N 1 3 332.488 2.320 10 0 EEAEHO O=C1O[C@H](CN[C@H]2CCc3c2cc(F)cc3F)CC12CC[NH2+]CC2 ZINC000925853647 1206161292 /nfs/dbraw/zinc/16/12/92/1206161292.db2.gz QDMAUMJASFFZOP-LRDDRELGSA-N 1 3 336.382 2.227 10 0 EEAEHO C[C@H](C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)N1[C@H](C)CC[C@@H]1C ZINC000928837890 1206426330 /nfs/dbraw/zinc/42/63/30/1206426330.db2.gz WZBDQZMGYQUHNF-KYHPRHEASA-N 1 3 332.492 2.452 10 0 EEAEHO C[C@@H]1CN(C[C@@H]2CCCC3(CCC3)O2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000930136951 1206537074 /nfs/dbraw/zinc/53/70/74/1206537074.db2.gz PUXPFAMKQOJGJD-QYZOEREBSA-N 1 3 335.536 2.436 10 0 EEAEHO c1csc(CN(C[C@@H]2CCCO2)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903718516 1241710732 /nfs/dbraw/zinc/71/07/32/1241710732.db2.gz NZNVOANIRXKWKX-XYJFISCASA-N 1 3 336.501 2.498 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@@H](Nc3ccccc3)C2)cnn1C ZINC000903899745 1242398832 /nfs/dbraw/zinc/39/88/32/1242398832.db2.gz XOLNZBSYKGSEPN-FXAWDEMLSA-N 1 3 341.503 2.422 10 0 EEAEHO Cc1c(C[C@@H](CN)C[NH2+]C[C@H](c2cccnc2)C(C)C)cnn1C ZINC000903922740 1242515593 /nfs/dbraw/zinc/51/55/93/1242515593.db2.gz DDULNCGVAJJUPX-LPHOPBHVSA-N 1 3 329.492 2.270 10 0 EEAEHO CCOCc1ccccc1CNC[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903925563 1242520361 /nfs/dbraw/zinc/52/03/61/1242520361.db2.gz NYNBGKMRGNOFOI-MRXNPFEDSA-N 1 3 330.476 2.172 10 0 EEAEHO COc1ccc(CNCC[C@@H]2C[NH2+]C[C@H]2C)c(Br)c1O ZINC000903974768 1242811456 /nfs/dbraw/zinc/81/14/56/1242811456.db2.gz RXPWWCUXVYGTJU-GHMZBOCLSA-N 1 3 343.265 2.499 10 0 EEAEHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cnc(C3CCC3)s1)C2 ZINC000903979211 1242836127 /nfs/dbraw/zinc/83/61/27/1242836127.db2.gz YQKOASUXOVYLHL-AHIWAGSCSA-N 1 3 335.473 2.123 10 0 EEAEHO C[NH+](C)CCCC(=O)N[C@H]1C[C@@H](NCc2cc(F)ccc2F)C1 ZINC001491047569 1258606549 /nfs/dbraw/zinc/60/65/49/1258606549.db2.gz JQLHXHGJWOPSQP-GASCZTMLSA-N 1 3 325.403 2.043 10 0 EEAEHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CNC/C(Cl)=C\Cl)C2)C1 ZINC001491172064 1258741641 /nfs/dbraw/zinc/74/16/41/1258741641.db2.gz AVHGRWWOWUGJHY-MFCMZOHRSA-N 1 3 348.318 2.475 10 0 EEAEHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](CNC/C(Cl)=C\Cl)C2)C1 ZINC001491172064 1258741643 /nfs/dbraw/zinc/74/16/43/1258741643.db2.gz AVHGRWWOWUGJHY-MFCMZOHRSA-N 1 3 348.318 2.475 10 0 EEAEHO CCOCC[NH2+]C1CCC(NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001491365697 1259006819 /nfs/dbraw/zinc/00/68/19/1259006819.db2.gz HHMWQMXIOKQQAF-DAWZGUTISA-N 1 3 339.524 2.303 10 0 EEAEHO CCCCOCC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001273445228 1278416277 /nfs/dbraw/zinc/41/62/77/1278416277.db2.gz JVTGWUXWJNZSBW-MSOLQXFVSA-N 1 3 339.524 2.116 10 0 EEAEHO CCCCOCC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001273445228 1278416280 /nfs/dbraw/zinc/41/62/80/1278416280.db2.gz JVTGWUXWJNZSBW-MSOLQXFVSA-N 1 3 339.524 2.116 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CC12CC[NH+](Cc1ccccc1)CC2 ZINC001490606987 1291518681 /nfs/dbraw/zinc/51/86/81/1291518681.db2.gz CCQWXUUGIWKIOV-GOSISDBHSA-N 1 3 329.488 2.498 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852884544 1292224321 /nfs/dbraw/zinc/22/43/21/1292224321.db2.gz KTBDOFIMZBVTGN-KRWDZBQOSA-N 1 3 327.472 2.419 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000855163384 1293096847 /nfs/dbraw/zinc/09/68/47/1293096847.db2.gz XDUZPXMKVYCJGC-KSSFIOAISA-N 1 3 327.488 2.436 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000855163384 1293096854 /nfs/dbraw/zinc/09/68/54/1293096854.db2.gz XDUZPXMKVYCJGC-KSSFIOAISA-N 1 3 327.488 2.436 10 0 EEAEHO CO/C(=C/c1ccccc1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855347109 1293183490 /nfs/dbraw/zinc/18/34/90/1293183490.db2.gz TYEUUMFHXQJFOA-KXGFGANYSA-N 1 3 333.476 2.062 10 0 EEAEHO CO/C(=C/c1ccccc1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855347109 1293183493 /nfs/dbraw/zinc/18/34/93/1293183493.db2.gz TYEUUMFHXQJFOA-KXGFGANYSA-N 1 3 333.476 2.062 10 0 EEAEHO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3cnc(C)n3C)C2)ccn1 ZINC000856548712 1293561918 /nfs/dbraw/zinc/56/19/18/1293561918.db2.gz HGXZHWYVOKBBEH-LJQANCHMSA-N 1 3 343.475 2.229 10 0 EEAEHO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3cnc(C)n3C)C2)ccn1 ZINC000856548712 1293561922 /nfs/dbraw/zinc/56/19/22/1293561922.db2.gz HGXZHWYVOKBBEH-LJQANCHMSA-N 1 3 343.475 2.229 10 0 EEAEHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001277092511 1301236121 /nfs/dbraw/zinc/23/61/21/1301236121.db2.gz FMCSEVISIQSSBK-XUXIUFHCSA-N 1 3 335.414 2.296 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001278556532 1317224142 /nfs/dbraw/zinc/22/41/42/1317224142.db2.gz RFLWLBHQLOZKJP-FQEVSTJZSA-N 1 3 340.471 2.332 10 0 EEAEHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001263991606 1322579544 /nfs/dbraw/zinc/57/95/44/1322579544.db2.gz IYKHHWWMDVLIGV-XSXXPSGLSA-N 1 3 327.900 2.440 10 0 EEAEHO CC(C)[C@H](C(=O)NCCCN(C)Cc1cc(F)cc(F)c1)[NH+](C)C ZINC001265919861 1323486831 /nfs/dbraw/zinc/48/68/31/1323486831.db2.gz XNIYCPWYAVVTOK-QGZVFWFLSA-N 1 3 341.446 2.489 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001265989093 1323547614 /nfs/dbraw/zinc/54/76/14/1323547614.db2.gz BHKKPMKXWQYDSK-AXJDHONKSA-N 1 3 329.488 2.478 10 0 EEAEHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)C[C@H]1CC(C)(C)CO1 ZINC001266048976 1323598204 /nfs/dbraw/zinc/59/82/04/1323598204.db2.gz CILPXCJURNWSDS-MRXNPFEDSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)C[C@H]1CC(C)(C)CO1 ZINC001266048976 1323598208 /nfs/dbraw/zinc/59/82/08/1323598208.db2.gz CILPXCJURNWSDS-MRXNPFEDSA-N 1 3 339.524 2.114 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001280207110 1324113724 /nfs/dbraw/zinc/11/37/24/1324113724.db2.gz FSPIUVPNEGYJBZ-AWEZNQCLSA-N 1 3 330.407 2.120 10 0 EEAEHO C[C@@H](CN(C)C(=O)C(C)(C)N1CCCCC1)[NH2+]CCOC1CCC1 ZINC001283613611 1326162940 /nfs/dbraw/zinc/16/29/40/1326162940.db2.gz YNDXICYDWXTOEA-INIZCTEOSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCOCC1 ZINC001492091700 1330998793 /nfs/dbraw/zinc/99/87/93/1330998793.db2.gz GMLNQODLJUFZDU-AEFFLSMTSA-N 1 3 339.524 2.160 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[C@@H]1CCC[N@@H+]1CC[C@H]1CCCO1 ZINC001492176161 1331054854 /nfs/dbraw/zinc/05/48/54/1331054854.db2.gz SKRTWAKTKLWHDJ-IAGOWNOFSA-N 1 3 348.491 2.191 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[C@@H]1CCC[N@H+]1CC[C@H]1CCCO1 ZINC001492176161 1331054858 /nfs/dbraw/zinc/05/48/58/1331054858.db2.gz SKRTWAKTKLWHDJ-IAGOWNOFSA-N 1 3 348.491 2.191 10 0 EEAEHO COc1cccc(CN2CC[C@H](NC(=O)CCCC[NH+](C)C)C2)c1C ZINC001316990781 1332033043 /nfs/dbraw/zinc/03/30/43/1332033043.db2.gz JQDSTVVYONCDRJ-SFHVURJKSA-N 1 3 347.503 2.426 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+]CCCc2ccsc2)C1 ZINC001317159544 1332105084 /nfs/dbraw/zinc/10/50/84/1332105084.db2.gz IBBBYQFLAHZOIQ-INIZCTEOSA-N 1 3 346.500 2.475 10 0 EEAEHO CCCCOCCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001317509148 1332273536 /nfs/dbraw/zinc/27/35/36/1332273536.db2.gz PNHZPNXSQGNUBG-OKZBNKHCSA-N 1 3 339.524 2.114 10 0 EEAEHO CCCCOCCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001317509148 1332273537 /nfs/dbraw/zinc/27/35/37/1332273537.db2.gz PNHZPNXSQGNUBG-OKZBNKHCSA-N 1 3 339.524 2.114 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1cn(C(C)C)nc1C ZINC001317593295 1332314424 /nfs/dbraw/zinc/31/44/24/1332314424.db2.gz SJYCANRSFZWOLR-GOSISDBHSA-N 1 3 349.523 2.195 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1cn(C(C)C)nc1C ZINC001317593295 1332314427 /nfs/dbraw/zinc/31/44/27/1332314427.db2.gz SJYCANRSFZWOLR-GOSISDBHSA-N 1 3 349.523 2.195 10 0 EEAEHO CCCN(C(=O)[C@@H]1CCCN1C(C)C)[C@@H]1CC[N@H+](CCCOC)C1 ZINC001317759864 1332400241 /nfs/dbraw/zinc/40/02/41/1332400241.db2.gz UXVDTTCLUBPAFH-MSOLQXFVSA-N 1 3 339.524 2.209 10 0 EEAEHO CCCN(C(=O)[C@@H]1CCCN1C(C)C)[C@@H]1CC[N@@H+](CCCOC)C1 ZINC001317759864 1332400244 /nfs/dbraw/zinc/40/02/44/1332400244.db2.gz UXVDTTCLUBPAFH-MSOLQXFVSA-N 1 3 339.524 2.209 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(CCCCCF)C2)CC[N@@H+]1C ZINC001317971035 1332454887 /nfs/dbraw/zinc/45/48/87/1332454887.db2.gz RVOGAUADRYSOCN-YESZJQIVSA-N 1 3 327.488 2.437 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(CCCCCF)C2)CC[N@H+]1C ZINC001317971035 1332454889 /nfs/dbraw/zinc/45/48/89/1332454889.db2.gz RVOGAUADRYSOCN-YESZJQIVSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@H](C[NH2+]CC[C@@H]1CCCCO1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001319533963 1332716854 /nfs/dbraw/zinc/71/68/54/1332716854.db2.gz MDUUPYMOEMKJQI-SJORKVTESA-N 1 3 341.540 2.360 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001321189692 1333040832 /nfs/dbraw/zinc/04/08/32/1333040832.db2.gz PJKGJRLNNCTITO-QBAOTHAWSA-N 1 3 331.435 2.169 10 0 EEAEHO CC1CCN(CC(=O)NC/C=C/C[NH2+]Cc2cccc(F)c2)CC1 ZINC001321305846 1333069283 /nfs/dbraw/zinc/06/92/83/1333069283.db2.gz TVPQFEFKHPQGET-NSCUHMNNSA-N 1 3 333.451 2.320 10 0 EEAEHO C[C@@H]([NH2+]CCCCCF)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001325410534 1333881277 /nfs/dbraw/zinc/88/12/77/1333881277.db2.gz SEVQDIOSRWZKOT-CVEARBPZSA-N 1 3 327.488 2.437 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CC(F)(F)C2)C1)N(C)C ZINC001326365119 1334076684 /nfs/dbraw/zinc/07/66/84/1334076684.db2.gz NMGBQZZTIDSWOK-HIFRSBDPSA-N 1 3 331.451 2.200 10 0 EEAEHO COCCCC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001327860053 1334356645 /nfs/dbraw/zinc/35/66/45/1334356645.db2.gz GNAIPGOKQYXNFF-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001328960624 1334557305 /nfs/dbraw/zinc/55/73/05/1334557305.db2.gz GCIWMLJYWZSMGJ-UHFFFAOYSA-N 1 3 338.883 2.060 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CCc3ccccc3)C2)C1 ZINC001330655896 1334883021 /nfs/dbraw/zinc/88/30/21/1334883021.db2.gz MJRSJUFJNFHKFA-BHIYHBOVSA-N 1 3 329.488 2.055 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)N3CC=CC34CCCC4)CC2)CC1 ZINC001348506553 1337556107 /nfs/dbraw/zinc/55/61/07/1337556107.db2.gz LGOCRBZFVKWZDK-UHFFFAOYSA-N 1 3 346.519 2.439 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2cccc(N(C)C)c2)C1 ZINC001500276046 1342128411 /nfs/dbraw/zinc/12/84/11/1342128411.db2.gz WYSHRJXROQWFKM-FQEVSTJZSA-N 1 3 346.519 2.175 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2cccc(N(C)C)c2)C1 ZINC001500276046 1342128413 /nfs/dbraw/zinc/12/84/13/1342128413.db2.gz WYSHRJXROQWFKM-FQEVSTJZSA-N 1 3 346.519 2.175 10 0 EEAEHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CCCc2cccc(F)c2)C1 ZINC001571663001 1343265992 /nfs/dbraw/zinc/26/59/92/1343265992.db2.gz ZVGFIXBEMLIWHB-UHFFFAOYSA-N 1 3 344.434 2.303 10 0 EEAEHO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC001649857137 1353628403 /nfs/dbraw/zinc/62/84/03/1353628403.db2.gz XHIDPOFHYGQELH-MSOLQXFVSA-N 1 3 331.460 2.099 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001661842987 1354707506 /nfs/dbraw/zinc/70/75/06/1354707506.db2.gz XWXLRUHIIZWYBZ-IBGZPJMESA-N 1 3 331.504 2.398 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCOC(C)C)C1 ZINC001665636142 1355342048 /nfs/dbraw/zinc/34/20/48/1355342048.db2.gz DUVUBGPIXPRAMT-MSOLQXFVSA-N 1 3 339.524 2.209 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCOC(C)C)C1 ZINC001665636142 1355342056 /nfs/dbraw/zinc/34/20/56/1355342056.db2.gz DUVUBGPIXPRAMT-MSOLQXFVSA-N 1 3 339.524 2.209 10 0 EEAEHO CC(C)COCCN1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001665642605 1355346288 /nfs/dbraw/zinc/34/62/88/1355346288.db2.gz WZSOYGUKHGVSEB-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)COCCN1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001665642605 1355346294 /nfs/dbraw/zinc/34/62/94/1355346294.db2.gz WZSOYGUKHGVSEB-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO COCC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001666110844 1355454098 /nfs/dbraw/zinc/45/40/98/1355454098.db2.gz KPVOHEKDQFOAIL-QGZVFWFLSA-N 1 3 339.524 2.116 10 0 EEAEHO Cc1nc(C)c(CNCC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001667306973 1355705238 /nfs/dbraw/zinc/70/52/38/1355705238.db2.gz NGOBDNDDKMTDLJ-SJORKVTESA-N 1 3 348.491 2.104 10 0 EEAEHO Cc1nc(C)c(CNCC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001667306973 1355705240 /nfs/dbraw/zinc/70/52/40/1355705240.db2.gz NGOBDNDDKMTDLJ-SJORKVTESA-N 1 3 348.491 2.104 10 0 EEAEHO CCN(CC[NH2+]Cc1cccc(N(C)C)c1)C(=O)CN1CC[C@H](C)C1 ZINC001668555043 1355961660 /nfs/dbraw/zinc/96/16/60/1355961660.db2.gz GUQXBGFNIFOSSY-KRWDZBQOSA-N 1 3 346.519 2.033 10 0 EEAEHO C[NH+](C)CCCC(=O)NC/C=C\CN[C@@H]1CCc2ccc(F)cc21 ZINC001669008021 1356066232 /nfs/dbraw/zinc/06/62/32/1356066232.db2.gz DUWBLPOTBAEGBT-DDKKJVIOSA-N 1 3 333.451 2.417 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCOC1CCCCCC1 ZINC001690620957 1404930405 /nfs/dbraw/zinc/93/04/05/1404930405.db2.gz KMGVZNINEJONML-SJORKVTESA-N 1 3 339.524 2.162 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc(Cl)n1 ZINC000817860907 785026919 /nfs/dbraw/zinc/02/69/19/785026919.db2.gz YZIVCAZRMCHLIF-HQRZJTNHSA-N 1 3 338.883 2.265 10 0 EEAEHO CCN1CCN(Cc2ccccc2C[NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921543922 789146522 /nfs/dbraw/zinc/14/65/22/789146522.db2.gz PLCWEKFSMZDSKZ-UHFFFAOYSA-N 1 3 340.471 2.215 10 0 EEAEHO COc1cc2c(cc1OC)C(C)(C)N(C[C@@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC000923425433 789528071 /nfs/dbraw/zinc/52/80/71/789528071.db2.gz FULXKVPQUOHXHP-HNNXBMFYSA-N 1 3 346.471 2.176 10 0 EEAEHO CCCOCc1ccccc1CNC(=O)CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495255 789652833 /nfs/dbraw/zinc/65/28/33/789652833.db2.gz AALAUFJDTFCSHX-DLBZAZTESA-N 1 3 347.503 2.146 10 0 EEAEHO C[C@@H]1CN(C[C@H](O)c2cccc(Br)c2)CC[C@@H]1C[NH3+] ZINC000923490541 789659335 /nfs/dbraw/zinc/65/93/35/789659335.db2.gz DMJFAFCZCMWEPH-KYOSRNDESA-N 1 3 327.266 2.399 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C(C)C)n2)C1 ZINC001436974665 1088667184 /nfs/dbraw/zinc/66/71/84/1088667184.db2.gz FMLTZTNBHSRECS-CALCHBBNSA-N 1 3 332.492 2.284 10 0 EEAEHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ccccc3C)C[C@H]21)N(C)C ZINC001437078630 1089015730 /nfs/dbraw/zinc/01/57/30/1089015730.db2.gz APQMRBLECLYSGI-FTWQHDNSSA-N 1 3 329.488 2.443 10 0 EEAEHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ccccc3C)C[C@H]21)N(C)C ZINC001437078630 1089015747 /nfs/dbraw/zinc/01/57/47/1089015747.db2.gz APQMRBLECLYSGI-FTWQHDNSSA-N 1 3 329.488 2.443 10 0 EEAEHO CC(C)N(C)CC(=O)NC1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC001437089182 1089037425 /nfs/dbraw/zinc/03/74/25/1089037425.db2.gz IWPDFXGAIHKSCU-CTWPCTMYSA-N 1 3 347.503 2.077 10 0 EEAEHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)NCc1cncc(F)c1 ZINC001437217676 1089299556 /nfs/dbraw/zinc/29/95/56/1089299556.db2.gz VWVARWCKUAEQMH-WMLDXEAASA-N 1 3 336.455 2.078 10 0 EEAEHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)NCc1cncc(F)c1 ZINC001437217676 1089299567 /nfs/dbraw/zinc/29/95/67/1089299567.db2.gz VWVARWCKUAEQMH-WMLDXEAASA-N 1 3 336.455 2.078 10 0 EEAEHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@H]2CCCN2CCCF)C1 ZINC001437673633 1090203352 /nfs/dbraw/zinc/20/33/52/1090203352.db2.gz BMISSQZAOBTUPM-RHSMWYFYSA-N 1 3 331.451 2.139 10 0 EEAEHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@H]2CCCN2CCCF)C1 ZINC001437673633 1090203358 /nfs/dbraw/zinc/20/33/58/1090203358.db2.gz BMISSQZAOBTUPM-RHSMWYFYSA-N 1 3 331.451 2.139 10 0 EEAEHO O=C(CCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2CC[C@@H]1CCCCO1 ZINC001438181917 1090686321 /nfs/dbraw/zinc/68/63/21/1090686321.db2.gz XYPHPSFXXDAKSB-FHWLQOOXSA-N 1 3 349.519 2.107 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)NCc1ccns1 ZINC001438344320 1090821265 /nfs/dbraw/zinc/82/12/65/1090821265.db2.gz PCLKJOVIKBJTNO-HUUCEWRRSA-N 1 3 338.521 2.392 10 0 EEAEHO CC[C@H](F)C[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001438463248 1090971129 /nfs/dbraw/zinc/97/11/29/1090971129.db2.gz ACEZFWLKWCSIFW-INIZCTEOSA-N 1 3 327.488 2.389 10 0 EEAEHO CC[C@H](F)C[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001438463248 1090971132 /nfs/dbraw/zinc/97/11/32/1090971132.db2.gz ACEZFWLKWCSIFW-INIZCTEOSA-N 1 3 327.488 2.389 10 0 EEAEHO C[C@@H](C[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C(=O)CN1CCCC1 ZINC001438724634 1091254888 /nfs/dbraw/zinc/25/48/88/1091254888.db2.gz UJFTWKDLEUCYKF-KSSFIOAISA-N 1 3 333.451 2.345 10 0 EEAEHO CC(C)[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001438800276 1091406115 /nfs/dbraw/zinc/40/61/15/1091406115.db2.gz CTKATMBUWRQICC-IRXDYDNUSA-N 1 3 339.524 2.016 10 0 EEAEHO C[C@@H](NC[C@H](NC(=O)CC[NH+](C)C)C1CC1)c1cc(F)ccc1F ZINC001445966832 1091920285 /nfs/dbraw/zinc/92/02/85/1091920285.db2.gz JZIQFOULMSGCIZ-PXAZEXFGSA-N 1 3 339.430 2.462 10 0 EEAEHO CN(CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccn1)C2)C1CCC1 ZINC001440096959 1093161394 /nfs/dbraw/zinc/16/13/94/1093161394.db2.gz GSIGHCZDWMDQGF-WDYCEAGBSA-N 1 3 342.487 2.035 10 0 EEAEHO CN(CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccn1)C2)C1CCC1 ZINC001440096959 1093161398 /nfs/dbraw/zinc/16/13/98/1093161398.db2.gz GSIGHCZDWMDQGF-WDYCEAGBSA-N 1 3 342.487 2.035 10 0 EEAEHO Cc1cncc(C[NH2+]C2(CNC(=O)CN3[C@@H](C)CC[C@@H]3C)CCC2)c1 ZINC001440357340 1093513388 /nfs/dbraw/zinc/51/33/88/1093513388.db2.gz SCFOUWYDNCAFBY-IRXDYDNUSA-N 1 3 344.503 2.391 10 0 EEAEHO CN(CCC[N@H+](C)C[C@@H]1CCC(F)(F)C1)C(=O)[C@@H]1CCCN1C ZINC001440433125 1093637737 /nfs/dbraw/zinc/63/77/37/1093637737.db2.gz WUDWWJGCRFHXRH-CABCVRRESA-N 1 3 331.451 2.296 10 0 EEAEHO CN(CCC[N@@H+](C)C[C@@H]1CCC(F)(F)C1)C(=O)[C@@H]1CCCN1C ZINC001440433125 1093637739 /nfs/dbraw/zinc/63/77/39/1093637739.db2.gz WUDWWJGCRFHXRH-CABCVRRESA-N 1 3 331.451 2.296 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCc1cncs1 ZINC001448698360 1093762018 /nfs/dbraw/zinc/76/20/18/1093762018.db2.gz MUAVTQOUKUJNIQ-GOEBONIOSA-N 1 3 338.521 2.200 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCc1cncs1 ZINC001448698360 1093762022 /nfs/dbraw/zinc/76/20/22/1093762022.db2.gz MUAVTQOUKUJNIQ-GOEBONIOSA-N 1 3 338.521 2.200 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(F)cn1 ZINC001440887499 1094145255 /nfs/dbraw/zinc/14/52/55/1094145255.db2.gz COUQMVPKWCSLSR-UHFFFAOYSA-N 1 3 338.471 2.135 10 0 EEAEHO CC[C@H](C(=O)N1CCC([N@H+](C)C[C@@H](OC)C2CCC2)CC1)N(C)C ZINC001441386148 1094934069 /nfs/dbraw/zinc/93/40/69/1094934069.db2.gz WTHZSRIDNJITDS-QZTJIDSGSA-N 1 3 339.524 2.065 10 0 EEAEHO CC[C@H](C(=O)N1CCC([N@@H+](C)C[C@@H](OC)C2CCC2)CC1)N(C)C ZINC001441386148 1094934077 /nfs/dbraw/zinc/93/40/77/1094934077.db2.gz WTHZSRIDNJITDS-QZTJIDSGSA-N 1 3 339.524 2.065 10 0 EEAEHO Cc1nsc(C)c1CN[C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001441598689 1095442351 /nfs/dbraw/zinc/44/23/51/1095442351.db2.gz TXTPNPOPYZGLDQ-LBPRGKRZSA-N 1 3 338.521 2.038 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](CNC/C(Cl)=C/Cl)C2)C1 ZINC001441620281 1095489072 /nfs/dbraw/zinc/48/90/72/1095489072.db2.gz QRGQPLBDOLUORS-XPWVWULPSA-N 1 3 348.318 2.475 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](CNC/C(Cl)=C/Cl)C2)C1 ZINC001441620281 1095489077 /nfs/dbraw/zinc/48/90/77/1095489077.db2.gz QRGQPLBDOLUORS-XPWVWULPSA-N 1 3 348.318 2.475 10 0 EEAEHO COc1ccc(CC[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)cc1 ZINC001441826032 1095872936 /nfs/dbraw/zinc/87/29/36/1095872936.db2.gz UHYUBGMFDJTWQX-QFBILLFUSA-N 1 3 347.503 2.157 10 0 EEAEHO CO[C@H](C)CN(C)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001442105820 1096332096 /nfs/dbraw/zinc/33/20/96/1096332096.db2.gz PZLOTOSLIMBPDI-SJORKVTESA-N 1 3 327.513 2.063 10 0 EEAEHO CO[C@H](C)CN(C)CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001442105820 1096332099 /nfs/dbraw/zinc/33/20/99/1096332099.db2.gz PZLOTOSLIMBPDI-SJORKVTESA-N 1 3 327.513 2.063 10 0 EEAEHO C[C@H](NC(=O)CCC[NH+](C)C)C1CCN(Cc2cccnc2)CC1 ZINC001442226244 1096522798 /nfs/dbraw/zinc/52/27/98/1096522798.db2.gz YPIGCUIEZMOJNC-INIZCTEOSA-N 1 3 332.492 2.140 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H](C)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001442226335 1096523355 /nfs/dbraw/zinc/52/33/55/1096523355.db2.gz NXIASNMRWLUBFI-FUHWJXTLSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cc(F)ccc1F ZINC001442253301 1096554065 /nfs/dbraw/zinc/55/40/65/1096554065.db2.gz JUPCAINMKRNNAA-XJKCOSOUSA-N 1 3 339.430 2.289 10 0 EEAEHO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cc(F)ccc1F ZINC001442253301 1096554070 /nfs/dbraw/zinc/55/40/70/1096554070.db2.gz JUPCAINMKRNNAA-XJKCOSOUSA-N 1 3 339.430 2.289 10 0 EEAEHO COCc1cccc(CN(C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001442489260 1096829303 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C[C@H](O)CCC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001480361074 1100133255 /nfs/dbraw/zinc/13/32/55/1100133255.db2.gz HTRVMRSMWWWWTP-IRXDYDNUSA-N 1 3 341.540 2.096 10 0 EEAEHO Cc1nc(CN[C@H]2CCN(C(=O)CC[NH+](C)C)[C@@H](C)C2)sc1C ZINC001446450397 1100871413 /nfs/dbraw/zinc/87/14/13/1100871413.db2.gz WDKRYXQJOJOXQU-WFASDCNBSA-N 1 3 338.521 2.181 10 0 EEAEHO Cc1ncsc1C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001496375231 1100967900 /nfs/dbraw/zinc/96/79/00/1100967900.db2.gz LBBQMHLSTOGKLF-ZFWWWQNUSA-N 1 3 338.521 2.118 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@@](C)(C[NH2+]Cc3ccsc3)C2)C1 ZINC001446604303 1101101048 /nfs/dbraw/zinc/10/10/48/1101101048.db2.gz KGDCWWKOGCHVHM-YJBOKZPZSA-N 1 3 335.517 2.418 10 0 EEAEHO CC(C)(C(=O)NC[C@H]1CN(CCCF)CCC1(F)F)[NH+]1CCCC1 ZINC001446727953 1101301453 /nfs/dbraw/zinc/30/14/53/1101301453.db2.gz RFUGDASHSVPEOR-AWEZNQCLSA-N 1 3 349.441 2.294 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]Cc1cc(O)ccc1Cl ZINC001495811464 1101629295 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327.488 2.436 10 0 EEAEHO C[C@@H](F)CCN1CC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001494567884 1104155781 /nfs/dbraw/zinc/15/57/81/1104155781.db2.gz ICLDHHHJYNANCF-CQSZACIVSA-N 1 3 327.488 2.436 10 0 EEAEHO Cc1conc1CNCC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCCCC1 ZINC001448223348 1104207718 /nfs/dbraw/zinc/20/77/18/1104207718.db2.gz GAHNHERZABQIKT-KRWDZBQOSA-N 1 3 348.491 2.376 10 0 EEAEHO Cc1conc1CNCC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001448223348 1104207722 /nfs/dbraw/zinc/20/77/22/1104207722.db2.gz GAHNHERZABQIKT-KRWDZBQOSA-N 1 3 348.491 2.376 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001480664576 1106845564 /nfs/dbraw/zinc/84/55/64/1106845564.db2.gz BHKKPMKXWQYDSK-ULNHMINQSA-N 1 3 329.488 2.478 10 0 EEAEHO C[C@@H](C[N@H+](C)CCc1ccccc1F)NC(=O)CN1CC[C@H](C)C1 ZINC001498381008 1107424122 /nfs/dbraw/zinc/42/41/22/1107424122.db2.gz LZDSZIMBPLPYLY-HOTGVXAUSA-N 1 3 335.467 2.147 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCc1ccccc1F)NC(=O)CN1CC[C@H](C)C1 ZINC001498381008 1107424127 /nfs/dbraw/zinc/42/41/27/1107424127.db2.gz LZDSZIMBPLPYLY-HOTGVXAUSA-N 1 3 335.467 2.147 10 0 EEAEHO CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1sc(C)nc1C)N(C)C ZINC001498641499 1107873717 /nfs/dbraw/zinc/87/37/17/1107873717.db2.gz FHLDMFPVZKAWIV-AWEZNQCLSA-N 1 3 326.510 2.038 10 0 EEAEHO Cc1nc(C)c(CNCCN(C)C(=O)CC[NH+]2CCCCC2)s1 ZINC001493806155 1108686006 /nfs/dbraw/zinc/68/60/06/1108686006.db2.gz GJDQDZICZBCAFZ-UHFFFAOYSA-N 1 3 338.521 2.184 10 0 EEAEHO O=C1OC[C@@H]2C[N@H+](CCCN3CCC(Cc4ccccc4)CC3)C[C@H]12 ZINC001473693463 1110578656 /nfs/dbraw/zinc/57/86/56/1110578656.db2.gz JWXYYBWKUULIFB-PMACEKPBSA-N 1 3 342.483 2.436 10 0 EEAEHO O=C1OC[C@@H]2C[N@@H+](CCCN3CCC(Cc4ccccc4)CC3)C[C@H]12 ZINC001473693463 1110578658 /nfs/dbraw/zinc/57/86/58/1110578658.db2.gz JWXYYBWKUULIFB-PMACEKPBSA-N 1 3 342.483 2.436 10 0 EEAEHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccnc(Cl)c2)C1)N(C)C ZINC001479320421 1110680887 /nfs/dbraw/zinc/68/08/87/1110680887.db2.gz DEHADZQVONVAHE-ZNMIVQPWSA-N 1 3 338.883 2.060 10 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1114914056 /nfs/dbraw/zinc/91/40/56/1114914056.db2.gz CRQMOLFWAGOBPD-MELADBBJSA-N 1 3 348.318 2.474 10 0 EEAEHO CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NC/C(Cl)=C\Cl ZINC001506992878 1115038085 /nfs/dbraw/zinc/03/80/85/1115038085.db2.gz URAQOTZJQLUVHK-ZMCCTTKHSA-N 1 3 336.307 2.378 10 0 EEAEHO CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NC/C(Cl)=C\Cl ZINC001506992878 1115038088 /nfs/dbraw/zinc/03/80/88/1115038088.db2.gz URAQOTZJQLUVHK-ZMCCTTKHSA-N 1 3 336.307 2.378 10 0 EEAEHO COCCCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC001507296355 1115179288 /nfs/dbraw/zinc/17/92/88/1115179288.db2.gz IVERLBWYUTYKLR-APWZRJJASA-N 1 3 347.503 2.367 10 0 EEAEHO C[NH+](C)CCC(=O)NCC1=CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC001508219900 1115449592 /nfs/dbraw/zinc/44/95/92/1115449592.db2.gz IMNPDEQIEPRMBV-UHFFFAOYSA-N 1 3 341.499 2.375 10 0 EEAEHO CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C(F)(F)F ZINC001486252756 1193779862 /nfs/dbraw/zinc/77/98/62/1193779862.db2.gz IIZZPDPPGXKJJF-OCCSQVGLSA-N 1 3 335.414 2.107 10 0 EEAEHO CCOCCN1CC[C@@H](N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001567914384 1124176126 /nfs/dbraw/zinc/17/61/26/1124176126.db2.gz SRMAJBWUBDJNLO-QGZVFWFLSA-N 1 3 339.524 2.209 10 0 EEAEHO CCOCCN1CC[C@@H](N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001567914384 1124176129 /nfs/dbraw/zinc/17/61/29/1124176129.db2.gz SRMAJBWUBDJNLO-QGZVFWFLSA-N 1 3 339.524 2.209 10 0 EEAEHO CCOCC[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CCCC1 ZINC001568244779 1124382352 /nfs/dbraw/zinc/38/23/52/1124382352.db2.gz PKFIEXAHFIFLOP-QGZVFWFLSA-N 1 3 339.524 2.304 10 0 EEAEHO C[C@@H](CC[NH2+]CCC1CC1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001568678494 1124690848 /nfs/dbraw/zinc/69/08/48/1124690848.db2.gz SFVHNVHVBWPFKC-KSSFIOAISA-N 1 3 327.488 2.483 10 0 EEAEHO C[C@H](C(=O)NC/C=C\CNCc1cccnc1)[NH+]1CCCCCC1 ZINC001568927983 1124958293 /nfs/dbraw/zinc/95/82/93/1124958293.db2.gz FVBWREOAPXCZJN-VGOKWCNXSA-N 1 3 330.476 2.108 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCCN(C)C2)CC1 ZINC000088687415 539370361 /nfs/dbraw/zinc/37/03/61/539370361.db2.gz IMDRBQDPOXORLG-LJQANCHMSA-N 1 3 330.520 2.402 10 0 EEAEHO C[N@@H+]1CCC[C@]2(CCN(C(=O)CCN3CCc4ccccc4C3)C2)C1 ZINC000416241095 530064943 /nfs/dbraw/zinc/06/49/43/530064943.db2.gz OOXPIIHEMZRMAW-NRFANRHFSA-N 1 3 341.499 2.379 10 0 EEAEHO C[N@H+]1CCC[C@]2(CCN(C(=O)CCN3CCc4ccccc4C3)C2)C1 ZINC000416241095 530064944 /nfs/dbraw/zinc/06/49/44/530064944.db2.gz OOXPIIHEMZRMAW-NRFANRHFSA-N 1 3 341.499 2.379 10 0 EEAEHO COc1cc(C[C@H](C)[NH3+])cc(Br)c1OCCN(C)C ZINC000037724886 202032951 /nfs/dbraw/zinc/03/29/51/202032951.db2.gz JURKWOBUYMALTO-JTQLQIEISA-N 1 3 331.254 2.288 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000177359695 207326177 /nfs/dbraw/zinc/32/61/77/207326177.db2.gz NSXXKDWWMLHNKN-GOSISDBHSA-N 1 3 332.492 2.374 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000177359695 207326182 /nfs/dbraw/zinc/32/61/82/207326182.db2.gz NSXXKDWWMLHNKN-GOSISDBHSA-N 1 3 332.492 2.374 10 0 EEAEHO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000270593278 285212599 /nfs/dbraw/zinc/21/25/99/285212599.db2.gz YNHDVPCTHUAQIJ-QZTJIDSGSA-N 1 3 330.476 2.169 10 0 EEAEHO CC[N@H+]1CCCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000270593278 285212601 /nfs/dbraw/zinc/21/26/01/285212601.db2.gz YNHDVPCTHUAQIJ-QZTJIDSGSA-N 1 3 330.476 2.169 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)CC(F)(F)F ZINC000457519412 285247820 /nfs/dbraw/zinc/24/78/20/285247820.db2.gz FCQPQGCZNSOIQA-ZIAGYGMSSA-N 1 3 337.430 2.449 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)CC(F)(F)F ZINC000457519412 285247821 /nfs/dbraw/zinc/24/78/21/285247821.db2.gz FCQPQGCZNSOIQA-ZIAGYGMSSA-N 1 3 337.430 2.449 10 0 EEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2OCCN(C)C)C1 ZINC000246827635 160296672 /nfs/dbraw/zinc/29/66/72/160296672.db2.gz DRMGXMGSMOSLCU-NVXWUHKLSA-N 1 3 333.476 2.086 10 0 EEAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2OCCN(C)C)C1 ZINC000246827635 160296674 /nfs/dbraw/zinc/29/66/74/160296674.db2.gz DRMGXMGSMOSLCU-NVXWUHKLSA-N 1 3 333.476 2.086 10 0 EEAEHO C[C@H](NC(=O)N1CCN2CCC[C@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248408007 160344874 /nfs/dbraw/zinc/34/48/74/160344874.db2.gz VBTFOCIWZRXQKL-BQFCYCMXSA-N 1 3 334.508 2.129 10 0 EEAEHO C[C@H](NC(=O)N1CCN2CCC[C@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248408007 160344875 /nfs/dbraw/zinc/34/48/75/160344875.db2.gz VBTFOCIWZRXQKL-BQFCYCMXSA-N 1 3 334.508 2.129 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccsc1C ZINC000345390271 161297674 /nfs/dbraw/zinc/29/76/74/161297674.db2.gz CCZHDEVIPSGJCL-KRWDZBQOSA-N 1 3 337.533 2.474 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccsc1C ZINC000345390271 161297675 /nfs/dbraw/zinc/29/76/75/161297675.db2.gz CCZHDEVIPSGJCL-KRWDZBQOSA-N 1 3 337.533 2.474 10 0 EEAEHO C[N@@H+]1CC[C@H](NCCNC(=O)c2c(F)cccc2F)[C@H]2CCC[C@H]21 ZINC000375804251 167200354 /nfs/dbraw/zinc/20/03/54/167200354.db2.gz HKQRYSUTXRSTSX-UHOFOFEASA-N 1 3 337.414 2.157 10 0 EEAEHO C[N@H+]1CC[C@H](NCCNC(=O)c2c(F)cccc2F)[C@H]2CCC[C@H]21 ZINC000375804251 167200355 /nfs/dbraw/zinc/20/03/55/167200355.db2.gz HKQRYSUTXRSTSX-UHOFOFEASA-N 1 3 337.414 2.157 10 0 EEAEHO CN1CC[C@H](NC(=O)NCCC[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000340181214 277166615 /nfs/dbraw/zinc/16/66/15/277166615.db2.gz GAPQSJGPURRHRM-ROUUACIJSA-N 1 3 330.476 2.217 10 0 EEAEHO C[NH2+]CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000253433523 277264459 /nfs/dbraw/zinc/26/44/59/277264459.db2.gz XWRRPGVFGLQTJO-BBRMVZONSA-N 1 3 343.393 2.424 10 0 EEAEHO C[C@@H](CNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1)[NH+](C)C ZINC000454840616 278274961 /nfs/dbraw/zinc/27/49/61/278274961.db2.gz RFEJOXHEVFRFKH-LPHOPBHVSA-N 1 3 332.492 2.290 10 0 EEAEHO C[C@@H](CNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)N(C)C ZINC000454840616 278274962 /nfs/dbraw/zinc/27/49/62/278274962.db2.gz RFEJOXHEVFRFKH-LPHOPBHVSA-N 1 3 332.492 2.290 10 0 EEAEHO C[C@@H](CNC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)N(C)C ZINC000454840616 278274964 /nfs/dbraw/zinc/27/49/64/278274964.db2.gz RFEJOXHEVFRFKH-LPHOPBHVSA-N 1 3 332.492 2.290 10 0 EEAEHO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000170863106 289312621 /nfs/dbraw/zinc/31/26/21/289312621.db2.gz WUXCPMNVXACLIK-HUUCEWRRSA-N 1 3 336.505 2.231 10 0 EEAEHO C[C@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)[C@@H](C)[C@H]1[NH3+] ZINC000297451920 294248049 /nfs/dbraw/zinc/24/80/49/294248049.db2.gz WKQHDKZWLOONCJ-BXWFABGCSA-N 1 3 329.488 2.483 10 0 EEAEHO C[C@@H](CCC(F)(F)F)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414181735 312978677 /nfs/dbraw/zinc/97/86/77/312978677.db2.gz CHZYYSZVBFBDCA-AWEZNQCLSA-N 1 3 337.430 2.104 10 0 EEAEHO C[C@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)Cc1ccccc1 ZINC000414485913 313033627 /nfs/dbraw/zinc/03/36/27/313033627.db2.gz PXXAHSJQFFMHJZ-IBGZPJMESA-N 1 3 345.531 2.251 10 0 EEAEHO CCCN1CCN(c2ccccc2CN2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000414795122 313091485 /nfs/dbraw/zinc/09/14/85/313091485.db2.gz WMJWYPXNEWMSHP-XLIONFOSSA-N 1 3 328.504 2.012 10 0 EEAEHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000416794562 313318431 /nfs/dbraw/zinc/31/84/31/313318431.db2.gz PWYONNFZRLOJFH-PKOBYXMFSA-N 1 3 342.487 2.044 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000416838460 313330499 /nfs/dbraw/zinc/33/04/99/313330499.db2.gz JGJOYTWTOZARQU-CGTJXYLNSA-N 1 3 332.492 2.367 10 0 EEAEHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433316169 314761441 /nfs/dbraw/zinc/76/14/41/314761441.db2.gz FALNSPJRWKGOOO-HNNXBMFYSA-N 1 3 331.464 2.033 10 0 EEAEHO C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000449228131 315436349 /nfs/dbraw/zinc/43/63/49/315436349.db2.gz XKRKYTXOBPILBO-OAHLLOKOSA-N 1 3 329.444 2.292 10 0 EEAEHO O[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@H]1CCCO1 ZINC000527955555 317292080 /nfs/dbraw/zinc/29/20/80/317292080.db2.gz MNTNNFPYGAZWHE-FDKIHUSFSA-N 1 3 344.499 2.417 10 0 EEAEHO O=C(NC[C@@H]1CCN1C1CCCC1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528291234 317354748 /nfs/dbraw/zinc/35/47/48/317354748.db2.gz CVDMOPWACLLYGN-ROUUACIJSA-N 1 3 334.508 2.319 10 0 EEAEHO O=C(NC[C@@H]1CCN1C1CCCC1)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528291234 317354753 /nfs/dbraw/zinc/35/47/53/317354753.db2.gz CVDMOPWACLLYGN-ROUUACIJSA-N 1 3 334.508 2.319 10 0 EEAEHO CC(C)(C[NH2+]C1CCN(c2ccncc2)CC1)C(=O)N1CCCC1 ZINC000529676266 317626842 /nfs/dbraw/zinc/62/68/42/317626842.db2.gz HPOYEVTVUSFVTG-UHFFFAOYSA-N 1 3 330.476 2.289 10 0 EEAEHO C[C@@]1(CNC(=O)NCC2CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000564309561 319077296 /nfs/dbraw/zinc/07/72/96/319077296.db2.gz FKVGHFFCNWNPIQ-FQEVSTJZSA-N 1 3 344.503 2.340 10 0 EEAEHO CC(C)[NH+](CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C)C(C)C ZINC000565420755 319181325 /nfs/dbraw/zinc/18/13/25/319181325.db2.gz MEGLPIKVNBLSLU-TXPKVOOTSA-N 1 3 339.524 2.144 10 0 EEAEHO CC(C)[NH+](CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)C(C)C ZINC000565420754 319181563 /nfs/dbraw/zinc/18/15/63/319181563.db2.gz MEGLPIKVNBLSLU-JTDSTZFVSA-N 1 3 339.524 2.144 10 0 EEAEHO CN(C)CCOc1ccc(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cc1 ZINC000565593048 319196371 /nfs/dbraw/zinc/19/63/71/319196371.db2.gz CRXLTSMVHGTCNH-IBGZPJMESA-N 1 3 346.446 2.459 10 0 EEAEHO CN(C)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)Cc1ccccc1 ZINC000570233758 319647840 /nfs/dbraw/zinc/64/78/40/319647840.db2.gz MKNQPFNQOREEHA-XWSJACJDSA-N 1 3 329.488 2.196 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000576519071 320179099 /nfs/dbraw/zinc/17/90/99/320179099.db2.gz ARWARBSHBVBKGA-UHFFFAOYSA-N 1 3 327.428 2.016 10 0 EEAEHO CN(C)CCOc1ccccc1CNC(=O)c1ccccc1CC[NH3+] ZINC000580959567 324159841 /nfs/dbraw/zinc/15/98/41/324159841.db2.gz RBLCSTVRNBTOOS-UHFFFAOYSA-N 1 3 341.455 2.058 10 0 EEAEHO O[C@@H](COc1ccccc1F)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193080630 465025902 /nfs/dbraw/zinc/02/59/02/465025902.db2.gz GYZCICDCSIECJC-QGZVFWFLSA-N 1 3 336.451 2.373 10 0 EEAEHO CC[N@@H+]1CC[C@@H](N(C)CCc2c(C)nc3ccccn3c2=O)C[C@@H]1C ZINC000351518173 465198204 /nfs/dbraw/zinc/19/82/04/465198204.db2.gz LMIHCQCQQRNALC-DOTOQJQBSA-N 1 3 342.487 2.350 10 0 EEAEHO CC[N@H+]1CC[C@@H](N(C)CCc2c(C)nc3ccccn3c2=O)C[C@@H]1C ZINC000351518173 465198207 /nfs/dbraw/zinc/19/82/07/465198207.db2.gz LMIHCQCQQRNALC-DOTOQJQBSA-N 1 3 342.487 2.350 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCN1CCOC[C@@H]1C ZINC000337186236 465232808 /nfs/dbraw/zinc/23/28/08/465232808.db2.gz DDYIEMIZOLZLAK-HBFSDRIKSA-N 1 3 331.504 2.207 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCN1CCOC[C@@H]1C ZINC000337186236 465232812 /nfs/dbraw/zinc/23/28/12/465232812.db2.gz DDYIEMIZOLZLAK-HBFSDRIKSA-N 1 3 331.504 2.207 10 0 EEAEHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)C1 ZINC000163274949 463576925 /nfs/dbraw/zinc/57/69/25/463576925.db2.gz BYCHNVBTHPUJAX-LSDHHAIUSA-N 1 3 339.505 2.441 10 0 EEAEHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)C1 ZINC000163274949 463576927 /nfs/dbraw/zinc/57/69/27/463576927.db2.gz BYCHNVBTHPUJAX-LSDHHAIUSA-N 1 3 339.505 2.441 10 0 EEAEHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)C1 ZINC000163274949 463576932 /nfs/dbraw/zinc/57/69/32/463576932.db2.gz BYCHNVBTHPUJAX-LSDHHAIUSA-N 1 3 339.505 2.441 10 0 EEAEHO CC(C)[NH+]1CCC(O)(CNCc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000268426247 463738923 /nfs/dbraw/zinc/73/89/23/463738923.db2.gz NMGUTLVBXKHTJN-UHFFFAOYSA-N 1 3 328.460 2.402 10 0 EEAEHO CN(CCC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000185162883 463765853 /nfs/dbraw/zinc/76/58/53/463765853.db2.gz WLEVHUXPAFCNTE-SFHVURJKSA-N 1 3 332.492 2.417 10 0 EEAEHO CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000185607299 463850338 /nfs/dbraw/zinc/85/03/38/463850338.db2.gz BKCSQNCXBFLQDF-MSOLQXFVSA-N 1 3 330.476 2.167 10 0 EEAEHO CN(CC[N@@H+](C)C1CC1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000185607299 463850342 /nfs/dbraw/zinc/85/03/42/463850342.db2.gz BKCSQNCXBFLQDF-MSOLQXFVSA-N 1 3 330.476 2.167 10 0 EEAEHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900964 463945697 /nfs/dbraw/zinc/94/56/97/463945697.db2.gz SEGHOYQZRVRGJC-RTBURBONSA-N 1 3 342.487 2.313 10 0 EEAEHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171900964 463945701 /nfs/dbraw/zinc/94/57/01/463945701.db2.gz SEGHOYQZRVRGJC-RTBURBONSA-N 1 3 342.487 2.313 10 0 EEAEHO C[N@@H+]1CC[C@]2(CCN(CCC(=O)N3CCc4sccc4C3)C2)C1 ZINC000292259098 464177255 /nfs/dbraw/zinc/17/72/55/464177255.db2.gz YLGHBWNFDRTCKO-SFHVURJKSA-N 1 3 333.501 2.051 10 0 EEAEHO C[N@H+]1CC[C@]2(CCN(CCC(=O)N3CCc4sccc4C3)C2)C1 ZINC000292259098 464177261 /nfs/dbraw/zinc/17/72/61/464177261.db2.gz YLGHBWNFDRTCKO-SFHVURJKSA-N 1 3 333.501 2.051 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)C2(c3ccccc3)CC[NH2+]CC2)CCN1C ZINC000237479422 464326168 /nfs/dbraw/zinc/32/61/68/464326168.db2.gz XCUFWMCBTRYXKO-AEFFLSMTSA-N 1 3 329.488 2.249 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000245615065 464498555 /nfs/dbraw/zinc/49/85/55/464498555.db2.gz CTKQBRVUXNQROU-TWKWOARYSA-N 1 3 342.487 2.356 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000245615065 464498562 /nfs/dbraw/zinc/49/85/62/464498562.db2.gz CTKQBRVUXNQROU-TWKWOARYSA-N 1 3 342.487 2.356 10 0 EEAEHO C[C@@H]1CN(CCN(C)Cc2ccc(F)cc2)CC[N@@H+]1CC(C)(C)O ZINC000189884293 464559289 /nfs/dbraw/zinc/55/92/89/464559289.db2.gz MBUJIJGMCCFZSR-MRXNPFEDSA-N 1 3 337.483 2.035 10 0 EEAEHO C[C@@H]1CN(CCN(C)Cc2ccc(F)cc2)CC[N@H+]1CC(C)(C)O ZINC000189884293 464559291 /nfs/dbraw/zinc/55/92/91/464559291.db2.gz MBUJIJGMCCFZSR-MRXNPFEDSA-N 1 3 337.483 2.035 10 0 EEAEHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(CN(C)C)c1 ZINC000247527912 464690635 /nfs/dbraw/zinc/69/06/35/464690635.db2.gz XGXAHGRVFDQHBH-YJBOKZPZSA-N 1 3 330.476 2.126 10 0 EEAEHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(CN(C)C)c1 ZINC000247527912 464690641 /nfs/dbraw/zinc/69/06/41/464690641.db2.gz XGXAHGRVFDQHBH-YJBOKZPZSA-N 1 3 330.476 2.126 10 0 EEAEHO CCN1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000248393934 464746643 /nfs/dbraw/zinc/74/66/43/464746643.db2.gz XLKNAFNTNFPRSW-HUUCEWRRSA-N 1 3 347.459 2.122 10 0 EEAEHO CC[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000248393934 464746649 /nfs/dbraw/zinc/74/66/49/464746649.db2.gz XLKNAFNTNFPRSW-HUUCEWRRSA-N 1 3 347.459 2.122 10 0 EEAEHO CC[N@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000248393934 464746656 /nfs/dbraw/zinc/74/66/56/464746656.db2.gz XLKNAFNTNFPRSW-HUUCEWRRSA-N 1 3 347.459 2.122 10 0 EEAEHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CN(C)C)c2ccccc2)C1 ZINC000249742979 464911915 /nfs/dbraw/zinc/91/19/15/464911915.db2.gz KRWBVTWZINJVHG-FUHWJXTLSA-N 1 3 332.492 2.320 10 0 EEAEHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](CN(C)C)c2ccccc2)C1 ZINC000249742979 464911921 /nfs/dbraw/zinc/91/19/21/464911921.db2.gz KRWBVTWZINJVHG-FUHWJXTLSA-N 1 3 332.492 2.320 10 0 EEAEHO C[NH2+]CC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000253433524 465015056 /nfs/dbraw/zinc/01/50/56/465015056.db2.gz XWRRPGVFGLQTJO-CJNGLKHVSA-N 1 3 343.393 2.424 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000339910929 465598148 /nfs/dbraw/zinc/59/81/48/465598148.db2.gz CDJQZPQFXZHSRP-IBGZPJMESA-N 1 3 346.519 2.143 10 0 EEAEHO C[NH+]1CCC(CNc2cc(Cl)nc(N)n2)(N2CCCCC2)CC1 ZINC000301467333 465968181 /nfs/dbraw/zinc/96/81/81/465968181.db2.gz QPAQISBONIPSPM-UHFFFAOYSA-N 1 3 338.887 2.074 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000580079735 468463807 /nfs/dbraw/zinc/46/38/07/468463807.db2.gz ACWVDMNSJWMBFU-TZMCWYRMSA-N 1 3 335.414 2.379 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000580079735 468463812 /nfs/dbraw/zinc/46/38/12/468463812.db2.gz ACWVDMNSJWMBFU-TZMCWYRMSA-N 1 3 335.414 2.379 10 0 EEAEHO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1cccc(OCCN(C)C)c1 ZINC000358158419 466502014 /nfs/dbraw/zinc/50/20/14/466502014.db2.gz NRKIMKMTSZJOLM-UQPPLGOBSA-N 1 3 333.476 2.322 10 0 EEAEHO C[NH+](C)C1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000372974249 466650250 /nfs/dbraw/zinc/65/02/50/466650250.db2.gz DMIDLWGVTTZIAL-FQEVSTJZSA-N 1 3 331.504 2.304 10 0 EEAEHO CCOC(=O)C1([C@H](C)N[C@H](COC)c2ccccc2)CC[NH2+]CC1 ZINC000422957962 466688098 /nfs/dbraw/zinc/68/80/98/466688098.db2.gz WIAODMXUWVUQNY-DOTOQJQBSA-N 1 3 334.460 2.285 10 0 EEAEHO COc1ccc(OC2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662251307 472042486 /nfs/dbraw/zinc/04/24/86/472042486.db2.gz CNEGVGBRWVWXTF-SFHVURJKSA-N 1 3 332.444 2.059 10 0 EEAEHO CCCN(C)[C@H](CNC(=O)NCCC[NH3+])c1ccc(Cl)cc1 ZINC000418186014 467069329 /nfs/dbraw/zinc/06/93/29/467069329.db2.gz RIOVUVDONNIERQ-OAHLLOKOSA-N 1 3 326.872 2.371 10 0 EEAEHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000418466358 467114631 /nfs/dbraw/zinc/11/46/31/467114631.db2.gz RECABNWVHYEYJM-HNAYVOBHSA-N 1 3 330.476 2.334 10 0 EEAEHO CN(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418557457 467128514 /nfs/dbraw/zinc/12/85/14/467128514.db2.gz BAKITCCGXOTFSY-RCCFBDPRSA-N 1 3 330.476 2.172 10 0 EEAEHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000418587320 467132590 /nfs/dbraw/zinc/13/25/90/467132590.db2.gz GMWVIGLBLJGTEP-DOTOQJQBSA-N 1 3 332.492 2.194 10 0 EEAEHO C[C@H](Cn1cc(Br)ccc1=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000414110438 467377920 /nfs/dbraw/zinc/37/79/20/467377920.db2.gz LSJGHIZVDZMJDP-DYEKYZERSA-N 1 3 342.281 2.072 10 0 EEAEHO C[C@H](Cn1cc(Br)ccc1=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000414110438 467377924 /nfs/dbraw/zinc/37/79/24/467377924.db2.gz LSJGHIZVDZMJDP-DYEKYZERSA-N 1 3 342.281 2.072 10 0 EEAEHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000386250680 467389241 /nfs/dbraw/zinc/38/92/41/467389241.db2.gz DAJOJYQKRRXADV-GHRYLNIYSA-N 1 3 343.515 2.254 10 0 EEAEHO CN(C(=O)C[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388520630 467396988 /nfs/dbraw/zinc/39/69/88/467396988.db2.gz QILXAZJEXKQFIW-RTBURBONSA-N 1 3 329.488 2.499 10 0 EEAEHO CN1CCC(O)(C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000530321066 467975653 /nfs/dbraw/zinc/97/56/53/467975653.db2.gz ZXZHLHMHLZBTGC-GOSISDBHSA-N 1 3 340.471 2.296 10 0 EEAEHO C[C@@]1(CNC(=O)N2CCC(C[NH3+])CC2)CCCN1Cc1ccccc1 ZINC000578489670 468204921 /nfs/dbraw/zinc/20/49/21/468204921.db2.gz LQKZFKBZWGSLBY-FQEVSTJZSA-N 1 3 344.503 2.421 10 0 EEAEHO CNC(=O)[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])Cc1ccc(F)cc1C ZINC000583813026 468759905 /nfs/dbraw/zinc/75/99/05/468759905.db2.gz KWYKECULLFEMMD-XYJFISCASA-N 1 3 335.467 2.146 10 0 EEAEHO CNC(=O)[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)Cc1ccc(F)cc1C ZINC000583813026 468759907 /nfs/dbraw/zinc/75/99/07/468759907.db2.gz KWYKECULLFEMMD-XYJFISCASA-N 1 3 335.467 2.146 10 0 EEAEHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000572346936 468919427 /nfs/dbraw/zinc/91/94/27/468919427.db2.gz GNDOMZRPCIMAJZ-RZLSGREXSA-N 1 3 336.505 2.262 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572368163 468924066 /nfs/dbraw/zinc/92/40/66/468924066.db2.gz VVTDXLANXAAKRY-IAGOWNOFSA-N 1 3 345.487 2.089 10 0 EEAEHO C[NH2+]CCOCCN[C@@H]1CCc2c1ccc(F)c2Br ZINC000629530477 469572458 /nfs/dbraw/zinc/57/24/58/469572458.db2.gz HULUZIBIMVDYOB-CYBMUJFWSA-N 1 3 331.229 2.401 10 0 EEAEHO C[N@@H+]1CC[C@@H](NCCN2CCN(c3ccccc3)CC2)CC1(C)C ZINC000623350815 469631939 /nfs/dbraw/zinc/63/19/39/469631939.db2.gz URRDHIZFDAUGHZ-GOSISDBHSA-N 1 3 330.520 2.271 10 0 EEAEHO C[N@H+]1CC[C@@H](NCCN2CCN(c3ccccc3)CC2)CC1(C)C ZINC000623350815 469631945 /nfs/dbraw/zinc/63/19/45/469631945.db2.gz URRDHIZFDAUGHZ-GOSISDBHSA-N 1 3 330.520 2.271 10 0 EEAEHO CN1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CC1(C)C ZINC000623428772 469654251 /nfs/dbraw/zinc/65/42/51/469654251.db2.gz ZZPUJIWTHHPKKV-AABGKKOBSA-N 1 3 345.531 2.332 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2c(cccc2F)[nH]1 ZINC000617504439 469701785 /nfs/dbraw/zinc/70/17/85/469701785.db2.gz VXWCAOPIGXYIOE-ZDUSSCGKSA-N 1 3 334.439 2.309 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2c(cccc2F)[nH]1 ZINC000617504439 469701788 /nfs/dbraw/zinc/70/17/88/469701788.db2.gz VXWCAOPIGXYIOE-ZDUSSCGKSA-N 1 3 334.439 2.309 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000617505487 469703762 /nfs/dbraw/zinc/70/37/62/469703762.db2.gz FBJJJHPBNOJIID-NBHGPNQESA-N 1 3 343.515 2.279 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000617505487 469703768 /nfs/dbraw/zinc/70/37/68/469703768.db2.gz FBJJJHPBNOJIID-NBHGPNQESA-N 1 3 343.515 2.279 10 0 EEAEHO CN(CCCNC(=O)N[C@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000626925314 469756551 /nfs/dbraw/zinc/75/65/51/469756551.db2.gz KGJJYIKVBGWYDE-KRWDZBQOSA-N 1 3 330.476 2.092 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)NC(C)(C)CN(C)Cc2ccccc2)C[NH2+]1 ZINC000627203422 469843768 /nfs/dbraw/zinc/84/37/68/469843768.db2.gz WMJADJJPTNHUSV-NVXWUHKLSA-N 1 3 332.492 2.337 10 0 EEAEHO NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000624132613 469850538 /nfs/dbraw/zinc/85/05/38/469850538.db2.gz UPZHUAOAROKKPX-FVVUREQNSA-N 1 3 327.472 2.141 10 0 EEAEHO COc1ccc(Cl)cc1NC(=O)CCN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841450 470186707 /nfs/dbraw/zinc/18/67/07/470186707.db2.gz KRUMWGKUJYPZJB-VXGBXAGGSA-N 1 3 325.840 2.204 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)Cc2cccc(O)c2)CC[N@@H+]1C ZINC000631933294 470191673 /nfs/dbraw/zinc/19/16/73/470191673.db2.gz BRCUDWGGQPOVDN-ZWKOTPCHSA-N 1 3 333.476 2.013 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)Cc2cccc(O)c2)CC[N@H+]1C ZINC000631933294 470191674 /nfs/dbraw/zinc/19/16/74/470191674.db2.gz BRCUDWGGQPOVDN-ZWKOTPCHSA-N 1 3 333.476 2.013 10 0 EEAEHO CN(CCC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)c1ccncc1 ZINC000634093516 470219852 /nfs/dbraw/zinc/21/98/52/470219852.db2.gz NUSNCCLWHDYKFW-UHFFFAOYSA-N 1 3 342.447 2.010 10 0 EEAEHO CN(C(=O)C1(N)Cc2ccccc2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000649267301 470519835 /nfs/dbraw/zinc/51/98/35/470519835.db2.gz LDMPVMPGUSFEOP-FQEVSTJZSA-N 1 3 349.478 2.216 10 0 EEAEHO CN(C(=O)C1([NH3+])Cc2ccccc2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000649267301 470519838 /nfs/dbraw/zinc/51/98/38/470519838.db2.gz LDMPVMPGUSFEOP-FQEVSTJZSA-N 1 3 349.478 2.216 10 0 EEAEHO CN(C(=O)C1(N)Cc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649267301 470519841 /nfs/dbraw/zinc/51/98/41/470519841.db2.gz LDMPVMPGUSFEOP-FQEVSTJZSA-N 1 3 349.478 2.216 10 0 EEAEHO CN(C(=O)C1(N)Cc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649267301 470519844 /nfs/dbraw/zinc/51/98/44/470519844.db2.gz LDMPVMPGUSFEOP-FQEVSTJZSA-N 1 3 349.478 2.216 10 0 EEAEHO C[N@@H+]1CCC[C@@H]1CCN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000649751688 470686123 /nfs/dbraw/zinc/68/61/23/470686123.db2.gz PTMHBVKRAVFVMG-HKBOAZHASA-N 1 3 343.515 2.446 10 0 EEAEHO C[N@H+]1CCC[C@@H]1CCN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000649751688 470686125 /nfs/dbraw/zinc/68/61/25/470686125.db2.gz PTMHBVKRAVFVMG-HKBOAZHASA-N 1 3 343.515 2.446 10 0 EEAEHO CN(Cc1ccccc1)C[C@H](O)CN1CCC(C)([NH+]2CCCC2)CC1 ZINC000639980685 470744004 /nfs/dbraw/zinc/74/40/04/470744004.db2.gz AFLMENDXVKSCSZ-FQEVSTJZSA-N 1 3 345.531 2.430 10 0 EEAEHO C[C@@H]1CN(CCCC[NH2+]Cc2ccnn2-c2ccncc2)C[C@H](C)O1 ZINC000657367666 471114787 /nfs/dbraw/zinc/11/47/87/471114787.db2.gz RJBJTEZFMVUNCI-CALCHBBNSA-N 1 3 343.475 2.246 10 0 EEAEHO CC[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CO1 ZINC000657363691 471115314 /nfs/dbraw/zinc/11/53/14/471115314.db2.gz AVFNCJHRONDNFK-OALUTQOASA-N 1 3 345.487 2.169 10 0 EEAEHO C[C@@H]1C[C@H](NC[C@@H]2CN(C)CCN2Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000657801678 471235798 /nfs/dbraw/zinc/23/57/98/471235798.db2.gz VGSQPJBSGQAESN-SLYNCCJLSA-N 1 3 342.531 2.017 10 0 EEAEHO C[C@@H]1C[C@H](NC[C@@H]2CN(C)CCN2Cc2ccccc2)C[N@H+]1C1CC1 ZINC000657801678 471235801 /nfs/dbraw/zinc/23/58/01/471235801.db2.gz VGSQPJBSGQAESN-SLYNCCJLSA-N 1 3 342.531 2.017 10 0 EEAEHO c1cc(N2CCN(CCC[NH2+][C@@H]3CCCSCC3)CC2)ccn1 ZINC000657863590 471242437 /nfs/dbraw/zinc/24/24/37/471242437.db2.gz LCMMCQFTWBMBJO-QGZVFWFLSA-N 1 3 334.533 2.469 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C)[C@@H](F)C3)CC2)CC1 ZINC000654986860 471242893 /nfs/dbraw/zinc/24/28/93/471242893.db2.gz ZHXKWISWXIVQGB-QAPCUYQASA-N 1 3 339.499 2.389 10 0 EEAEHO c1cc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)n(-c2ccncc2)n1 ZINC000663343759 471333761 /nfs/dbraw/zinc/33/37/61/471333761.db2.gz DSDOIBMPPPLNNV-QGZVFWFLSA-N 1 3 325.460 2.479 10 0 EEAEHO c1cc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)n(-c2ccncc2)n1 ZINC000663343759 471333765 /nfs/dbraw/zinc/33/37/65/471333765.db2.gz DSDOIBMPPPLNNV-QGZVFWFLSA-N 1 3 325.460 2.479 10 0 EEAEHO CCOC[C@@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000663369078 471343358 /nfs/dbraw/zinc/34/33/58/471343358.db2.gz WNUIYKQTRWUOPL-OALUTQOASA-N 1 3 332.488 2.276 10 0 EEAEHO CCOC[C@@H](O)CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000663369078 471343364 /nfs/dbraw/zinc/34/33/64/471343364.db2.gz WNUIYKQTRWUOPL-OALUTQOASA-N 1 3 332.488 2.276 10 0 EEAEHO CCOC[C@@H](O)CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000663369078 471343369 /nfs/dbraw/zinc/34/33/69/471343369.db2.gz WNUIYKQTRWUOPL-OALUTQOASA-N 1 3 332.488 2.276 10 0 EEAEHO COC[C@@H](CN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1)OC ZINC000660497175 471367253 /nfs/dbraw/zinc/36/72/53/471367253.db2.gz MHBBXDLJDRHBCR-HZPDHXFCSA-N 1 3 326.506 2.472 10 0 EEAEHO COC[C@@H](CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1)OC ZINC000660497175 471367257 /nfs/dbraw/zinc/36/72/57/471367257.db2.gz MHBBXDLJDRHBCR-HZPDHXFCSA-N 1 3 326.506 2.472 10 0 EEAEHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000669420752 471491513 /nfs/dbraw/zinc/49/15/13/471491513.db2.gz VYEOIFZVFASTGZ-JQHSSLGASA-N 1 3 330.476 2.030 10 0 EEAEHO CCN(C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1CCN(CC)C1 ZINC000666927101 471591836 /nfs/dbraw/zinc/59/18/36/471591836.db2.gz GBNKPOBCIZJTGZ-MRXNPFEDSA-N 1 3 348.495 2.098 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000664087928 471633148 /nfs/dbraw/zinc/63/31/48/471633148.db2.gz SNKWICNQSCUEOR-BXWFABGCSA-N 1 3 346.519 2.491 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000664087928 471633152 /nfs/dbraw/zinc/63/31/52/471633152.db2.gz SNKWICNQSCUEOR-BXWFABGCSA-N 1 3 346.519 2.491 10 0 EEAEHO C[NH+](C)CCc1ccc(CNC(=O)NC[C@H]2CCN2C(C)(C)C)cc1 ZINC000661403521 471744533 /nfs/dbraw/zinc/74/45/33/471744533.db2.gz LTQBWQLOQUMJRO-GOSISDBHSA-N 1 3 346.519 2.463 10 0 EEAEHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667789602 471905730 /nfs/dbraw/zinc/90/57/30/471905730.db2.gz SWTJWYIXSRGWFM-RTWAWAEBSA-N 1 3 343.515 2.481 10 0 EEAEHO C[N@H+](CCc1ccc(Br)cc1)C[C@H]1CCC2(CNC2)O1 ZINC000662257410 472045641 /nfs/dbraw/zinc/04/56/41/472045641.db2.gz NYWGSURDVPNDRA-OAHLLOKOSA-N 1 3 339.277 2.444 10 0 EEAEHO C[N@@H+](CCc1ccc(Br)cc1)C[C@H]1CCC2(CNC2)O1 ZINC000662257410 472045644 /nfs/dbraw/zinc/04/56/44/472045644.db2.gz NYWGSURDVPNDRA-OAHLLOKOSA-N 1 3 339.277 2.444 10 0 EEAEHO COc1ccccc1COC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662279523 472055294 /nfs/dbraw/zinc/05/52/94/472055294.db2.gz KWLALNOWJQYIFI-SFHVURJKSA-N 1 3 346.471 2.197 10 0 EEAEHO C[NH+](C)CCCOC1CCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662490901 472126574 /nfs/dbraw/zinc/12/65/74/472126574.db2.gz MTDVCPYBPHQKJH-IBGZPJMESA-N 1 3 345.487 2.180 10 0 EEAEHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000662660492 472192886 /nfs/dbraw/zinc/19/28/86/472192886.db2.gz FKGZNIRQSQHJSW-AABGKKOBSA-N 1 3 341.499 2.292 10 0 EEAEHO O[C@H]1CCN(C2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)C1 ZINC000668738206 472245862 /nfs/dbraw/zinc/24/58/62/472245862.db2.gz CINPVVJNOPIUOG-IBGZPJMESA-N 1 3 330.472 2.085 10 0 EEAEHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCCn4nccc43)cc2)C1 ZINC000658142066 485571708 /nfs/dbraw/zinc/57/17/08/485571708.db2.gz YLPPFVBMOGXHSH-ZWKOTPCHSA-N 1 3 326.444 2.074 10 0 EEAEHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCCn4nccc43)cc2)C1 ZINC000658142066 485571715 /nfs/dbraw/zinc/57/17/15/485571715.db2.gz YLPPFVBMOGXHSH-ZWKOTPCHSA-N 1 3 326.444 2.074 10 0 EEAEHO CN(C)CCn1cc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000673962967 485596108 /nfs/dbraw/zinc/59/61/08/485596108.db2.gz XGQZCZQKYYAJHG-HNNXBMFYSA-N 1 3 333.480 2.038 10 0 EEAEHO CN(C)CCn1cc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cn1 ZINC000673962967 485596113 /nfs/dbraw/zinc/59/61/13/485596113.db2.gz XGQZCZQKYYAJHG-HNNXBMFYSA-N 1 3 333.480 2.038 10 0 EEAEHO CCN1CC[C@H]([N@H+](C)Cc2cccc(NS(C)(=O)=O)c2)[C@H](C)C1 ZINC000678278022 486609021 /nfs/dbraw/zinc/60/90/21/486609021.db2.gz SFLQCTWQAMGQKD-PBHICJAKSA-N 1 3 339.505 2.220 10 0 EEAEHO CCN1CC[C@H]([N@@H+](C)Cc2cccc(NS(C)(=O)=O)c2)[C@H](C)C1 ZINC000678278022 486609026 /nfs/dbraw/zinc/60/90/26/486609026.db2.gz SFLQCTWQAMGQKD-PBHICJAKSA-N 1 3 339.505 2.220 10 0 EEAEHO Cc1cc(C)cc([C@H](O)CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000764464560 577736725 /nfs/dbraw/zinc/73/67/25/577736725.db2.gz DKMDFIPAYKJULK-HLAWJBBLSA-N 1 3 345.531 2.295 10 0 EEAEHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CCN1c1cc[nH+]cc1 ZINC000915252933 684066810 /nfs/dbraw/zinc/06/68/10/684066810.db2.gz TUPVYSJZWLWEQH-INIZCTEOSA-N 1 3 330.476 2.383 10 0 EEAEHO CS[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C[C@@H]1N(C)C ZINC000897237044 686303045 /nfs/dbraw/zinc/30/30/45/686303045.db2.gz BTDUXLOMANUVBT-VSZNYVQBSA-N 1 3 347.528 2.183 10 0 EEAEHO CS[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C[C@@H]1N(C)C ZINC000897237044 686303049 /nfs/dbraw/zinc/30/30/49/686303049.db2.gz BTDUXLOMANUVBT-VSZNYVQBSA-N 1 3 347.528 2.183 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)CCN1C ZINC000925326257 692474056 /nfs/dbraw/zinc/47/40/56/692474056.db2.gz PZABIVKAFCLYSV-IEBWSBKVSA-N 1 3 346.519 2.285 10 0 EEAEHO Cc1oncc1CNC[C@@H](C1CC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001485814164 1191978238 /nfs/dbraw/zinc/97/82/38/1191978238.db2.gz RLWSFBUKWFLPIQ-ROUUACIJSA-N 1 3 348.491 2.184 10 0 EEAEHO Cc1oncc1CNC[C@@H](C1CC1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001485814164 1191978239 /nfs/dbraw/zinc/97/82/39/1191978239.db2.gz RLWSFBUKWFLPIQ-ROUUACIJSA-N 1 3 348.491 2.184 10 0 EEAEHO COCCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001266750223 1177348189 /nfs/dbraw/zinc/34/81/89/1177348189.db2.gz SCWQPGBNCKVEPI-KRWDZBQOSA-N 1 3 339.524 2.116 10 0 EEAEHO COCCC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001266750223 1177348196 /nfs/dbraw/zinc/34/81/96/1177348196.db2.gz SCWQPGBNCKVEPI-KRWDZBQOSA-N 1 3 339.524 2.116 10 0 EEAEHO Cc1cnc(CNC[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)s1 ZINC001267066725 1178180429 /nfs/dbraw/zinc/18/04/29/1178180429.db2.gz JLJLTMUWLXNHOR-OAHLLOKOSA-N 1 3 338.521 2.122 10 0 EEAEHO CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C(F)(F)F ZINC001691935901 1178723566 /nfs/dbraw/zinc/72/35/66/1178723566.db2.gz LPBRAEAQODQWEL-ZFWWWQNUSA-N 1 3 349.441 2.497 10 0 EEAEHO Cc1nc(C(C)C)ccc1C[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001267354731 1178815651 /nfs/dbraw/zinc/81/56/51/1178815651.db2.gz WWFFAKARHIIZCI-SFHVURJKSA-N 1 3 332.492 2.156 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H](CC[NH2+]Cc2cccnc2)C1 ZINC001267900898 1180725125 /nfs/dbraw/zinc/72/51/25/1180725125.db2.gz PVUBHTKTLGUZEF-QGZVFWFLSA-N 1 3 332.492 2.140 10 0 EEAEHO CC(C)OCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001267933390 1180785254 /nfs/dbraw/zinc/78/52/54/1180785254.db2.gz HRAOVHCRUPKRQW-BRWVUGGUSA-N 1 3 327.513 2.015 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC001481373686 1181152508 /nfs/dbraw/zinc/15/25/08/1181152508.db2.gz BIHORBGJPFDGLR-OALUTQOASA-N 1 3 347.503 2.343 10 0 EEAEHO CC[C@H](F)C[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001481499144 1181571183 /nfs/dbraw/zinc/57/11/83/1181571183.db2.gz UWHHJNXCVRNNEU-HOTGVXAUSA-N 1 3 329.504 2.493 10 0 EEAEHO CC[C@H](F)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001481499144 1181571187 /nfs/dbraw/zinc/57/11/87/1181571187.db2.gz UWHHJNXCVRNNEU-HOTGVXAUSA-N 1 3 329.504 2.493 10 0 EEAEHO COc1cccc(CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001268055337 1181612202 /nfs/dbraw/zinc/61/22/02/1181612202.db2.gz OPUPGRCRFPHFTK-LPHOPBHVSA-N 1 3 347.503 2.159 10 0 EEAEHO COCCCN1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001481535715 1181669931 /nfs/dbraw/zinc/66/99/31/1181669931.db2.gz OOMOIHRZZNLQEL-INIZCTEOSA-N 1 3 339.524 2.257 10 0 EEAEHO COCCCN1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001481535715 1181669934 /nfs/dbraw/zinc/66/99/34/1181669934.db2.gz OOMOIHRZZNLQEL-INIZCTEOSA-N 1 3 339.524 2.257 10 0 EEAEHO C[C@@H](CNCc1ccc(Cl)nc1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268094665 1181733753 /nfs/dbraw/zinc/73/37/53/1181733753.db2.gz POSBEMKFOWFZGJ-UONOGXRCSA-N 1 3 338.883 2.013 10 0 EEAEHO C[C@@H](CNCc1ccc(Cl)nc1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268094665 1181733761 /nfs/dbraw/zinc/73/37/61/1181733761.db2.gz POSBEMKFOWFZGJ-UONOGXRCSA-N 1 3 338.883 2.013 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCC(F)(F)F ZINC001268159490 1181870265 /nfs/dbraw/zinc/87/02/65/1181870265.db2.gz NCFUWWWPIQUVGV-ZIAGYGMSSA-N 1 3 335.414 2.394 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]Cc1cccc2nsnc21 ZINC001481825167 1182753890 /nfs/dbraw/zinc/75/38/90/1182753890.db2.gz INFIZIDJLXNQDV-UKRRQHHQSA-N 1 3 349.504 2.016 10 0 EEAEHO Cc1ncc(C[NH2+]CC[C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)o1 ZINC001481976135 1183072481 /nfs/dbraw/zinc/07/24/81/1183072481.db2.gz FGVRIVZBMLVGQE-MRXNPFEDSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1oncc1CNCCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001268797020 1183715341 /nfs/dbraw/zinc/71/53/41/1183715341.db2.gz BDKAOTHHURRHHI-SFHVURJKSA-N 1 3 348.491 2.328 10 0 EEAEHO Cc1oncc1CNCCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001268797020 1183715342 /nfs/dbraw/zinc/71/53/42/1183715342.db2.gz BDKAOTHHURRHHI-SFHVURJKSA-N 1 3 348.491 2.328 10 0 EEAEHO C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCCc1ccccc1 ZINC001268965071 1183855285 /nfs/dbraw/zinc/85/52/85/1183855285.db2.gz IPDWOILSIGALMF-OALUTQOASA-N 1 3 329.488 2.246 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001269071819 1183939326 /nfs/dbraw/zinc/93/93/26/1183939326.db2.gz RLBFPTJGTMGRKF-ZIAGYGMSSA-N 1 3 335.414 2.296 10 0 EEAEHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001269471195 1184294697 /nfs/dbraw/zinc/29/46/97/1184294697.db2.gz GJPBZFLSTQGDCH-KBPBESRZSA-N 1 3 326.872 2.060 10 0 EEAEHO CC(C)COCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001269598026 1184425875 /nfs/dbraw/zinc/42/58/75/1184425875.db2.gz UKUZZLATNWBRHM-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO C[NH+](C)CC1(C(=O)N[C@](C)(CNCCF)C2CC2)CCCCC1 ZINC001269626636 1184452600 /nfs/dbraw/zinc/45/26/00/1184452600.db2.gz VGNNJQYZLKNZQF-QGZVFWFLSA-N 1 3 327.488 2.343 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCNCc2ccn(C(C)C)n2)CC[N@@H+]1C ZINC001272790668 1193500036 /nfs/dbraw/zinc/50/00/36/1193500036.db2.gz KGWRHXVVZXEJNR-BPQIPLTHSA-N 1 3 349.523 2.179 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCNCc2ccn(C(C)C)n2)CC[N@H+]1C ZINC001272790668 1193500038 /nfs/dbraw/zinc/50/00/38/1193500038.db2.gz KGWRHXVVZXEJNR-BPQIPLTHSA-N 1 3 349.523 2.179 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCOc1ccccc1C ZINC001483197524 1189083275 /nfs/dbraw/zinc/08/32/75/1189083275.db2.gz LXZVHVYQZHUVHZ-MSOLQXFVSA-N 1 3 347.503 2.343 10 0 EEAEHO Cc1cc(CN[C@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)sn1 ZINC001485874546 1193626928 /nfs/dbraw/zinc/62/69/28/1193626928.db2.gz ZIZQHHPGFAPILJ-ZBFHGGJFSA-N 1 3 338.521 2.261 10 0 EEAEHO Cc1cc(CN[C@H](C)CN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)sn1 ZINC001485874546 1193626930 /nfs/dbraw/zinc/62/69/30/1193626930.db2.gz ZIZQHHPGFAPILJ-ZBFHGGJFSA-N 1 3 338.521 2.261 10 0 EEAEHO C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)Cc1ccc2cc[nH]c2c1 ZINC001409622591 1190122319 /nfs/dbraw/zinc/12/23/19/1190122319.db2.gz JHJYJVSFYNQPPO-HNNXBMFYSA-N 1 3 330.476 2.446 10 0 EEAEHO Cc1cncc(C[NH2+]CC[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001272654163 1190965528 /nfs/dbraw/zinc/96/55/28/1190965528.db2.gz VYGWKKMSYPDEGZ-QGZVFWFLSA-N 1 3 332.492 2.058 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@]1(C)CCN([C@H]2CCc3c2cccc3F)C1 ZINC001484057382 1191185614 /nfs/dbraw/zinc/18/56/14/1191185614.db2.gz JCKSCZPOCGAMJL-PKOBYXMFSA-N 1 3 333.451 2.345 10 0 EEAEHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(CCCCCF)CCC2(F)F)C1 ZINC001484195569 1191267744 /nfs/dbraw/zinc/26/77/44/1191267744.db2.gz HZILFOJIPNRRKW-HUUCEWRRSA-N 1 3 349.441 2.151 10 0 EEAEHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(CCCCCF)CCC2(F)F)C1 ZINC001484195569 1191267746 /nfs/dbraw/zinc/26/77/46/1191267746.db2.gz HZILFOJIPNRRKW-HUUCEWRRSA-N 1 3 349.441 2.151 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@H](CC[NH2+]Cc3cccc(F)c3)C2)C1 ZINC001484537940 1191404596 /nfs/dbraw/zinc/40/45/96/1191404596.db2.gz QELAOROZARCZLH-SJORKVTESA-N 1 3 347.478 2.496 10 0 EEAEHO COc1ccc(C)cc1C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001484910788 1191571491 /nfs/dbraw/zinc/57/14/91/1191571491.db2.gz YIMHYOSACIIYIP-WMZOPIPTSA-N 1 3 347.503 2.280 10 0 EEAEHO C[C@@H](NCc1cccnc1)[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485212516 1191695187 /nfs/dbraw/zinc/69/51/87/1191695187.db2.gz SVUWUHXKVYAEJK-HZPDHXFCSA-N 1 3 344.503 2.186 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001486442355 1193970109 /nfs/dbraw/zinc/97/01/09/1193970109.db2.gz NLFKTQPSGDEGAC-AEFFLSMTSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@@H](F)CC[N@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001410257048 1197640905 /nfs/dbraw/zinc/64/09/05/1197640905.db2.gz VYVYJULUHHLCFP-MRXNPFEDSA-N 1 3 327.488 2.389 10 0 EEAEHO C[C@@H](F)CC[N@@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001410257048 1197640907 /nfs/dbraw/zinc/64/09/07/1197640907.db2.gz VYVYJULUHHLCFP-MRXNPFEDSA-N 1 3 327.488 2.389 10 0 EEAEHO CC(C)(O)C[C@@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000872216070 1198092582 /nfs/dbraw/zinc/09/25/82/1198092582.db2.gz NJGLBJAORZNVFR-RTBURBONSA-N 1 3 346.515 2.400 10 0 EEAEHO CC(=O)NCC1CCC([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000865472381 1198235485 /nfs/dbraw/zinc/23/54/85/1198235485.db2.gz ZVQRODXTSJRVIG-FDCMFXBMSA-N 1 3 339.524 2.160 10 0 EEAEHO CC(C)Cc1cc(N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ncn1 ZINC000865534918 1198264313 /nfs/dbraw/zinc/26/43/13/1198264313.db2.gz KTUMUNRFKRCJEA-GOSISDBHSA-N 1 3 331.508 2.280 10 0 EEAEHO Cc1cncc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001410946850 1198612648 /nfs/dbraw/zinc/61/26/48/1198612648.db2.gz BZWHNUDQIIEBRP-SJLPKXTDSA-N 1 3 332.492 2.105 10 0 EEAEHO CC(C)CC[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001411170794 1198859675 /nfs/dbraw/zinc/85/96/75/1198859675.db2.gz PSFWCHHHCFFBHP-KRWDZBQOSA-N 1 3 341.540 2.048 10 0 EEAEHO CC(C)CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001411170794 1198859678 /nfs/dbraw/zinc/85/96/78/1198859678.db2.gz PSFWCHHHCFFBHP-KRWDZBQOSA-N 1 3 341.540 2.048 10 0 EEAEHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)N(C)Cc1ccccc1 ZINC000868234260 1201772403 /nfs/dbraw/zinc/77/24/03/1201772403.db2.gz ZSIXBOHEZDGKTE-NZSAHSFTSA-N 1 3 344.503 2.243 10 0 EEAEHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)N(C)Cc1ccccc1 ZINC000868234260 1201772406 /nfs/dbraw/zinc/77/24/06/1201772406.db2.gz ZSIXBOHEZDGKTE-NZSAHSFTSA-N 1 3 344.503 2.243 10 0 EEAEHO C[NH+](C)CC1(C(=O)NC/C=C/CNCc2cccc(Cl)c2)CC1 ZINC001274318710 1204996042 /nfs/dbraw/zinc/99/60/42/1204996042.db2.gz SKFXJCOWYVRNKO-ONEGZZNKSA-N 1 3 335.879 2.444 10 0 EEAEHO Cc1nc(CC[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH]cn2)cs1 ZINC001275718276 1205497343 /nfs/dbraw/zinc/49/73/43/1205497343.db2.gz WOLLKWRMUIXKFE-UHFFFAOYSA-N 1 3 349.504 2.034 10 0 EEAEHO CC(C)CCN1CCC([NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000925140504 1206075182 /nfs/dbraw/zinc/07/51/82/1206075182.db2.gz JSPGENUXYFPCCM-GOSISDBHSA-N 1 3 333.524 2.489 10 0 EEAEHO CC(C)CC[NH+]1CCC(N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000925140504 1206075184 /nfs/dbraw/zinc/07/51/84/1206075184.db2.gz JSPGENUXYFPCCM-GOSISDBHSA-N 1 3 333.524 2.489 10 0 EEAEHO CNC(=O)c1cccc(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)c1 ZINC000925521197 1206122425 /nfs/dbraw/zinc/12/24/25/1206122425.db2.gz IYDKGQCWICWXPE-RBUKOAKNSA-N 1 3 329.488 2.347 10 0 EEAEHO COc1cc(OC)cc(N2CC[C@H](CN[C@@H]3CCC[NH2+][C@H]3C)C2)c1 ZINC000925552434 1206127063 /nfs/dbraw/zinc/12/70/63/1206127063.db2.gz KXBKFLNYMSHCND-QMTMVMCOSA-N 1 3 333.476 2.260 10 0 EEAEHO O[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)COc1ccc(F)cc1 ZINC000925563635 1206128793 /nfs/dbraw/zinc/12/87/93/1206128793.db2.gz OTGNUYCQEJBMDN-NZSAHSFTSA-N 1 3 336.451 2.323 10 0 EEAEHO CN(CCN1CCC([N@@H+]2CCCOCC2)CC1)Cc1ccccc1 ZINC000931284870 1206622028 /nfs/dbraw/zinc/62/20/28/1206622028.db2.gz BPNWMWUASZWUKY-UHFFFAOYSA-N 1 3 331.504 2.305 10 0 EEAEHO CN(CCN1CCC([N@H+]2CCCOCC2)CC1)Cc1ccccc1 ZINC000931284870 1206622029 /nfs/dbraw/zinc/62/20/29/1206622029.db2.gz BPNWMWUASZWUKY-UHFFFAOYSA-N 1 3 331.504 2.305 10 0 EEAEHO NC(=O)CC1CC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000718560244 1212461907 /nfs/dbraw/zinc/46/19/07/1212461907.db2.gz RNOVTVANDBSFGC-NQEVIQBJSA-N 1 3 327.472 2.283 10 0 EEAEHO CN1CC[C@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)CC1(C)C ZINC000903189386 1239971839 /nfs/dbraw/zinc/97/18/39/1239971839.db2.gz VIYCTXKSGMASEB-AWEZNQCLSA-N 1 3 345.553 2.089 10 0 EEAEHO CC(C)Cc1ccccc1CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903476145 1240586147 /nfs/dbraw/zinc/58/61/47/1240586147.db2.gz OKQWVSXYTHRQSQ-QRVBRYPASA-N 1 3 343.471 2.252 10 0 EEAEHO c1csc(CN(C[C@@H]2CCCO2)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903718513 1241710456 /nfs/dbraw/zinc/71/04/56/1241710456.db2.gz NZNVOANIRXKWKX-BQFCYCMXSA-N 1 3 336.501 2.498 10 0 EEAEHO COc1ccccc1[C@@H]1CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903897072 1242377007 /nfs/dbraw/zinc/37/70/07/1242377007.db2.gz YUJWHJNXYRFHIO-DLBZAZTESA-N 1 3 342.487 2.344 10 0 EEAEHO COCCCOc1cccc(C[NH2+]C[C@@H]2CNCCC2(F)F)c1 ZINC000903955230 1242700888 /nfs/dbraw/zinc/70/08/88/1242700888.db2.gz NJVWGFDMBRSHKT-HNNXBMFYSA-N 1 3 328.403 2.436 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CCC[C@H]2CN(Cc3ocnc3C)CC[C@@H]21 ZINC001490983101 1258537996 /nfs/dbraw/zinc/53/79/96/1258537996.db2.gz NQXZGAYPMGKCPM-IRXDYDNUSA-N 1 3 348.491 2.138 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]2CN(Cc3ocnc3C)CC[C@@H]21 ZINC001490983101 1258538002 /nfs/dbraw/zinc/53/80/02/1258538002.db2.gz NQXZGAYPMGKCPM-IRXDYDNUSA-N 1 3 348.491 2.138 10 0 EEAEHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H](O)C3CC3)C2)ccn1 ZINC000856605929 1293579900 /nfs/dbraw/zinc/57/99/00/1293579900.db2.gz GXIPLAGOMGXNDR-MOPGFXCFSA-N 1 3 333.476 2.146 10 0 EEAEHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H](O)C3CC3)C2)ccn1 ZINC000856605929 1293579905 /nfs/dbraw/zinc/57/99/05/1293579905.db2.gz GXIPLAGOMGXNDR-MOPGFXCFSA-N 1 3 333.476 2.146 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)cc2)CC1 ZINC000859622964 1294555581 /nfs/dbraw/zinc/55/55/81/1294555581.db2.gz QDVDVTHNYMUZCY-WBVHZDCISA-N 1 3 345.491 2.091 10 0 EEAEHO CN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@H](CNCCF)C1CC1 ZINC001277677894 1304162392 /nfs/dbraw/zinc/16/23/92/1304162392.db2.gz PGIJESUULPEEOV-MRXNPFEDSA-N 1 3 327.488 2.295 10 0 EEAEHO CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@H](C[NH2+]CCCF)C1CC1 ZINC001277696384 1304205021 /nfs/dbraw/zinc/20/50/21/1304205021.db2.gz WVHBCBKGFWSTNH-CRAIPNDOSA-N 1 3 345.478 2.385 10 0 EEAEHO O[C@@H](C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)CN1CCCCC1 ZINC000843063239 1315833241 /nfs/dbraw/zinc/83/32/41/1315833241.db2.gz XTLFIOLMAXFHCI-XJKSGUPXSA-N 1 3 347.286 2.463 10 0 EEAEHO CC(C)OCC[NH2+][C@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001264678200 1322780382 /nfs/dbraw/zinc/78/03/82/1322780382.db2.gz QKGIFCWLAQQEPF-KRWDZBQOSA-N 1 3 339.524 2.257 10 0 EEAEHO CCN(CCF)CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001265114857 1322927906 /nfs/dbraw/zinc/92/79/06/1322927906.db2.gz QZHQGGFVJNMAGU-INIZCTEOSA-N 1 3 327.488 2.439 10 0 EEAEHO CCN(CCF)CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001265114857 1322927907 /nfs/dbraw/zinc/92/79/07/1322927907.db2.gz QZHQGGFVJNMAGU-INIZCTEOSA-N 1 3 327.488 2.439 10 0 EEAEHO C[NH+](C)CCC(=O)N1CCCC[C@H]1CNCc1ccnc(Cl)c1 ZINC001265682708 1323318409 /nfs/dbraw/zinc/31/84/09/1323318409.db2.gz WRGPKURLGGRWGC-HNNXBMFYSA-N 1 3 338.883 2.157 10 0 EEAEHO COCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001266099797 1323662514 /nfs/dbraw/zinc/66/25/14/1323662514.db2.gz MUPPUPCJUCLPHR-ROUUACIJSA-N 1 3 339.524 2.209 10 0 EEAEHO COCCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001266099797 1323662520 /nfs/dbraw/zinc/66/25/20/1323662520.db2.gz MUPPUPCJUCLPHR-ROUUACIJSA-N 1 3 339.524 2.209 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2cccnc2)C1 ZINC001280307737 1324152129 /nfs/dbraw/zinc/15/21/29/1324152129.db2.gz NYXLXAFKDNCWPQ-IEBWSBKVSA-N 1 3 344.503 2.284 10 0 EEAEHO COCCCC[NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001281476400 1325147455 /nfs/dbraw/zinc/14/74/55/1325147455.db2.gz SDJNEHVSAPTYHY-APWZRJJASA-N 1 3 347.503 2.225 10 0 EEAEHO Cc1ccncc1CN[C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001284027336 1326369171 /nfs/dbraw/zinc/36/91/71/1326369171.db2.gz UNVSMQZTHURGTL-SJLPKXTDSA-N 1 3 332.492 2.201 10 0 EEAEHO CC(C)(C(=O)N[C@@H]1CC[C@H](C[NH2+]C/C=C/Cl)C1)N1CCCC1 ZINC001284199708 1326457431 /nfs/dbraw/zinc/45/74/31/1326457431.db2.gz XSFVCXBCYQCYPM-YKHJJTLOSA-N 1 3 327.900 2.488 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCCc2ccccc2)C1)N(C)C ZINC001317336823 1332184215 /nfs/dbraw/zinc/18/42/15/1332184215.db2.gz JAHRFHGRLBZUMK-OALUTQOASA-N 1 3 331.504 2.398 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCNCc2cnc(C)o2)C1 ZINC001320527556 1332903281 /nfs/dbraw/zinc/90/32/81/1332903281.db2.gz ANJWFEAUTSBKMQ-GOEBONIOSA-N 1 3 336.480 2.089 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCNCc2cnc(C)o2)C1 ZINC001320527556 1332903284 /nfs/dbraw/zinc/90/32/84/1332903284.db2.gz ANJWFEAUTSBKMQ-GOEBONIOSA-N 1 3 336.480 2.089 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)cc1F)N(C)C ZINC001320553147 1332908800 /nfs/dbraw/zinc/90/88/00/1332908800.db2.gz QDCQDAMTTKWZOS-LRDDRELGSA-N 1 3 327.419 2.289 10 0 EEAEHO C[C@@H](CNCc1ccnc(Cl)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001322089958 1333207415 /nfs/dbraw/zinc/20/74/15/1333207415.db2.gz XTZWCLCRUDYMBY-AWEZNQCLSA-N 1 3 338.883 2.205 10 0 EEAEHO COCCCC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@@H](C)C1 ZINC001324082783 1333604826 /nfs/dbraw/zinc/60/48/26/1333604826.db2.gz SYZIUNOFNVKNFA-IRXDYDNUSA-N 1 3 341.540 2.360 10 0 EEAEHO CCCCOCC[NH+]1CCC(C)(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001324334486 1333660429 /nfs/dbraw/zinc/66/04/29/1333660429.db2.gz KZFNQJREVXXNMX-KRWDZBQOSA-N 1 3 339.524 2.116 10 0 EEAEHO CN(CC(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CCCC1)C1CCC1 ZINC001324483883 1333692545 /nfs/dbraw/zinc/69/25/45/1333692545.db2.gz UHNONEFUTBXYBK-ZWIJEDICSA-N 1 3 327.900 2.488 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CCC(F)(F)F)C1 ZINC001326736027 1334152027 /nfs/dbraw/zinc/15/20/27/1334152027.db2.gz DSIXWHJESJYAMS-UONOGXRCSA-N 1 3 335.414 2.251 10 0 EEAEHO CN(C(=O)CCCC[NH+]1CCCC1)C1CC(NCc2ccccn2)C1 ZINC001333151162 1335971659 /nfs/dbraw/zinc/97/16/59/1335971659.db2.gz NYUVSBMGSNVZTQ-UHFFFAOYSA-N 1 3 344.503 2.427 10 0 EEAEHO CN(CC(=O)NCC1=CC[N@H+](CC[C@@H]2CCCCO2)CC1)C1CCC1 ZINC001333354425 1336017435 /nfs/dbraw/zinc/01/74/35/1336017435.db2.gz JBIZYGLIBFBOSU-IBGZPJMESA-N 1 3 349.519 2.178 10 0 EEAEHO CN(CC(=O)NCC1=CC[N@@H+](CC[C@@H]2CCCCO2)CC1)C1CCC1 ZINC001333354425 1336017441 /nfs/dbraw/zinc/01/74/41/1336017441.db2.gz JBIZYGLIBFBOSU-IBGZPJMESA-N 1 3 349.519 2.178 10 0 EEAEHO Cc1ccncc1CN(C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001479815538 1337396096 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CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCOc2cccc(C)c2)C1)N(C)C ZINC001662650934 1354820080 /nfs/dbraw/zinc/82/00/80/1354820080.db2.gz VGDPZVBVPGWWEU-PKOBYXMFSA-N 1 3 347.503 2.152 10 0 EEAEHO COCC[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001662796688 1354848816 /nfs/dbraw/zinc/84/88/16/1354848816.db2.gz DMYWOPSVWISMIY-ROUUACIJSA-N 1 3 333.476 2.025 10 0 EEAEHO CC(C)OCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001663587876 1354994116 /nfs/dbraw/zinc/99/41/16/1354994116.db2.gz UTJJMFPSFVLDAE-ZWKOTPCHSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)OCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001663587876 1354994119 /nfs/dbraw/zinc/99/41/19/1354994119.db2.gz UTJJMFPSFVLDAE-ZWKOTPCHSA-N 1 3 339.524 2.112 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCOC(C)C)C1 ZINC001665636144 1355342541 /nfs/dbraw/zinc/34/25/41/1355342541.db2.gz DUVUBGPIXPRAMT-ROUUACIJSA-N 1 3 339.524 2.209 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCOC(C)C)C1 ZINC001665636144 1355342546 /nfs/dbraw/zinc/34/25/46/1355342546.db2.gz DUVUBGPIXPRAMT-ROUUACIJSA-N 1 3 339.524 2.209 10 0 EEAEHO Cc1oncc1CNCC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001667301636 1355702982 /nfs/dbraw/zinc/70/29/82/1355702982.db2.gz HKBBMCJPKJAVBZ-WMZOPIPTSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1oncc1CNCC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001667301636 1355702988 /nfs/dbraw/zinc/70/29/88/1355702988.db2.gz HKBBMCJPKJAVBZ-WMZOPIPTSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1nc(C)c(CNCC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)o1 ZINC001668059344 1355857979 /nfs/dbraw/zinc/85/79/79/1355857979.db2.gz FDJXLFYAMORMQE-CJNGLKHVSA-N 1 3 336.480 2.149 10 0 EEAEHO Cc1nc(C)c(CNCC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)o1 ZINC001668059344 1355857983 /nfs/dbraw/zinc/85/79/83/1355857983.db2.gz FDJXLFYAMORMQE-CJNGLKHVSA-N 1 3 336.480 2.149 10 0 EEAEHO Cc1cc(C)c(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCN2C)c(C)c1 ZINC001668745098 1355995544 /nfs/dbraw/zinc/99/55/44/1355995544.db2.gz AQYXYFBZERDQNG-VOFKWLDRSA-N 1 3 329.488 2.468 10 0 EEAEHO C[C@H](C[N@H+](C)CCCCC(F)(F)F)NC(=O)CN1CC[C@H](C)C1 ZINC001669882920 1356231946 /nfs/dbraw/zinc/23/19/46/1356231946.db2.gz SJBQVLKGWXCZNO-UONOGXRCSA-N 1 3 337.430 2.497 10 0 EEAEHO C[C@H](C[N@@H+](C)CCCCC(F)(F)F)NC(=O)CN1CC[C@H](C)C1 ZINC001669882920 1356231954 /nfs/dbraw/zinc/23/19/54/1356231954.db2.gz SJBQVLKGWXCZNO-UONOGXRCSA-N 1 3 337.430 2.497 10 0 EEAEHO COc1cccc(C[NH2+]CCCN(C)C(=O)CN2CC[C@@H](C)C2)c1C ZINC001670245916 1356302638 /nfs/dbraw/zinc/30/26/38/1356302638.db2.gz JGNRNEHZIHCKFG-MRXNPFEDSA-N 1 3 347.503 2.284 10 0 EEAEHO COCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C(C)(C)C1 ZINC001674019496 1356775280 /nfs/dbraw/zinc/77/52/80/1356775280.db2.gz YQCLNBJKNXDSRY-IRXDYDNUSA-N 1 3 339.524 2.112 10 0 EEAEHO COCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C(C)(C)C1 ZINC001674019496 1356775281 /nfs/dbraw/zinc/77/52/81/1356775281.db2.gz YQCLNBJKNXDSRY-IRXDYDNUSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@@H](NCCN1CCC([NH3+])CC1)c1cc(Br)ncc1F ZINC000925810725 777463695 /nfs/dbraw/zinc/46/36/95/777463695.db2.gz FRCSUPRLYMPXSE-SNVBAGLBSA-N 1 3 345.260 2.057 10 0 EEAEHO [NH3+]C[C@H]1CC2(CO1)CCN(C[C@H](O)c1ccc(F)cc1Cl)CC2 ZINC000923439087 789562673 /nfs/dbraw/zinc/56/26/73/789562673.db2.gz CMWGWYDSGJRCNJ-CJNGLKHVSA-N 1 3 342.842 2.342 10 0 EEAEHO C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455418 789571376 /nfs/dbraw/zinc/57/13/76/789571376.db2.gz LQHRQHVBNCZXMO-FUHWJXTLSA-N 1 3 345.487 2.036 10 0 EEAEHO FC(F)(F)c1cccc(OCCCCN2CCNCC[NH2+]CC2)c1 ZINC000923461088 789594331 /nfs/dbraw/zinc/59/43/31/789594331.db2.gz LRVGLBCNZRIXQE-UHFFFAOYSA-N 1 3 345.409 2.359 10 0 EEAEHO FC(F)(F)c1cccc(OCCCC[NH+]2CCNCCNCC2)c1 ZINC000923461088 789594334 /nfs/dbraw/zinc/59/43/34/789594334.db2.gz LRVGLBCNZRIXQE-UHFFFAOYSA-N 1 3 345.409 2.359 10 0 EEAEHO CC(C)c1ccc(CCNC(=O)CN2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923502471 789667257 /nfs/dbraw/zinc/66/72/57/789667257.db2.gz ZPGMNIJNVKLLCE-APWZRJJASA-N 1 3 331.504 2.385 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[N@@H+]1C ZINC000913891072 794490197 /nfs/dbraw/zinc/49/01/97/794490197.db2.gz IORNBVHNLDWTMQ-ILXRZTDVSA-N 1 3 336.505 2.277 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[N@H+]1C ZINC000913891072 794490202 /nfs/dbraw/zinc/49/02/02/794490202.db2.gz IORNBVHNLDWTMQ-ILXRZTDVSA-N 1 3 336.505 2.277 10 0 EEAEHO C[N@H+](C[C@H](O)CNCCc1sccc1Br)C1CC1 ZINC000713070623 794552255 /nfs/dbraw/zinc/55/22/55/794552255.db2.gz YSWTULYRVQLKKL-LLVKDONJSA-N 1 3 333.295 2.098 10 0 EEAEHO C[N@@H+](C[C@H](O)CNCCc1sccc1Br)C1CC1 ZINC000713070623 794552264 /nfs/dbraw/zinc/55/22/64/794552264.db2.gz YSWTULYRVQLKKL-LLVKDONJSA-N 1 3 333.295 2.098 10 0 EEAEHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCN(C)[C@H]2C)cc1 ZINC000913946047 794625409 /nfs/dbraw/zinc/62/54/09/794625409.db2.gz GADWXBOPXXGVGT-YJBOKZPZSA-N 1 3 332.492 2.420 10 0 EEAEHO C[C@H]1[C@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCN1C ZINC000915163150 795693656 /nfs/dbraw/zinc/69/36/56/795693656.db2.gz AKVZAEZJAPSTAN-MAUKXSAKSA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@@H]1OCC[C@]1(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716694233 796443451 /nfs/dbraw/zinc/44/34/51/796443451.db2.gz SAVSFSSNSRODOK-JBDAPHQKSA-N 1 3 330.472 2.169 10 0 EEAEHO CN(CCCNC(=O)c1ccc(C[NH+](C)C)cc1)Cc1cccnc1 ZINC001566500971 1125669100 /nfs/dbraw/zinc/66/91/00/1125669100.db2.gz UDHXJPXNEXIZPD-UHFFFAOYSA-N 1 3 340.471 2.395 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@H]1[C@@H]2CCCN(Cc3cccnc3)[C@@H]2C1(C)C ZINC001436448664 1087872253 /nfs/dbraw/zinc/87/22/53/1087872253.db2.gz QSCQYISBAUTVIW-UHOSZYNNSA-N 1 3 344.503 2.139 10 0 EEAEHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001436474316 1087942324 /nfs/dbraw/zinc/94/23/24/1087942324.db2.gz GKNRRMBENGGCRD-MSOLQXFVSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@H]([NH2+]CCc2ccccc2)C2CC2)C1 ZINC001436814365 1088403593 /nfs/dbraw/zinc/40/35/93/1088403593.db2.gz ZBUSTCAFQOTJHM-APWZRJJASA-N 1 3 329.488 2.055 10 0 EEAEHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ccccc3C2)C1)N(C)C ZINC001436901973 1088555988 /nfs/dbraw/zinc/55/59/88/1088555988.db2.gz QZIXXJRBKFEZCD-HUYLIWGRSA-N 1 3 343.515 2.369 10 0 EEAEHO Cc1cccnc1C[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001437060561 1088962503 /nfs/dbraw/zinc/96/25/03/1088962503.db2.gz WIRAEHMCXQIDKE-KRWDZBQOSA-N 1 3 332.492 2.201 10 0 EEAEHO COc1cc(C[NH2+]C[C@H]2CCN(C(=O)CN(C)C(C)C)C2)ccc1C ZINC001437323157 1089486913 /nfs/dbraw/zinc/48/69/13/1089486913.db2.gz ICJYHMQIHOMSQU-GOSISDBHSA-N 1 3 347.503 2.282 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCCN(C)Cc2ccc(OC)c(C)c2)CC[N@@H+]1C ZINC001437463099 1089782533 /nfs/dbraw/zinc/78/25/33/1089782533.db2.gz OBWODFAYSBGHEJ-ZWKOTPCHSA-N 1 3 347.503 2.282 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCCN(C)Cc2ccc(OC)c(C)c2)CC[N@H+]1C ZINC001437463099 1089782549 /nfs/dbraw/zinc/78/25/49/1089782549.db2.gz OBWODFAYSBGHEJ-ZWKOTPCHSA-N 1 3 347.503 2.282 10 0 EEAEHO CC(C)[C@H](C(=O)N1CC[C@@H](CN(C)CCF)C1)[NH+]1CCCCC1 ZINC001437994338 1090593237 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EEAEHO C[C@H](CN(C)CCOC1CCCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439405383 1092164904 /nfs/dbraw/zinc/16/49/04/1092164904.db2.gz GYOMSXMIHZRVOF-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H](CN(C)CCOC1CCCCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439405383 1092164906 /nfs/dbraw/zinc/16/49/06/1092164906.db2.gz GYOMSXMIHZRVOF-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ncccc1C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001439426274 1092192396 /nfs/dbraw/zinc/19/23/96/1092192396.db2.gz WGKCNINFAHDCCS-RTBURBONSA-N 1 3 346.519 2.495 10 0 EEAEHO Cc1cncc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C2CC2)c1 ZINC001439462894 1092245068 /nfs/dbraw/zinc/24/50/68/1092245068.db2.gz SCVPGCDEZSCPGD-OALUTQOASA-N 1 3 344.503 2.247 10 0 EEAEHO Cc1ncccc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001440113236 1093174547 /nfs/dbraw/zinc/17/45/47/1093174547.db2.gz DDOAWWLJIVYLGJ-WMZOPIPTSA-N 1 3 332.492 2.057 10 0 EEAEHO C[C@H](c1ccccc1)N1CCC[C@@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001440193167 1093259530 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/nfs/dbraw/zinc/21/83/05/1124218305.db2.gz AKKUONNERHQXFO-CQSZACIVSA-N 1 3 326.872 2.060 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@@H](C)CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001568193357 1124348604 /nfs/dbraw/zinc/34/86/04/1124348604.db2.gz BBZGWWWVMOAMRC-ZWKOTPCHSA-N 1 3 331.504 2.221 10 0 EEAEHO Cc1nc(C)c(CNCC[C@H]2CCCCN2C(=O)CC[NH+](C)C)o1 ZINC001568393766 1124463507 /nfs/dbraw/zinc/46/35/07/1124463507.db2.gz RXPFEXKVHIVOLF-MRXNPFEDSA-N 1 3 336.480 2.104 10 0 EEAEHO CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccn1)N(C)C ZINC001568393695 1124463605 /nfs/dbraw/zinc/46/36/05/1124463605.db2.gz QTPNXBLULPMZCM-MSOLQXFVSA-N 1 3 332.492 2.283 10 0 EEAEHO CN(CC[N@H+](C)CCCCc1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001568476478 1124535407 /nfs/dbraw/zinc/53/54/07/1124535407.db2.gz BBQRQQIMCZGMQI-IBGZPJMESA-N 1 3 331.504 2.494 10 0 EEAEHO CN(CC[N@@H+](C)CCCCc1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001568476478 1124535411 /nfs/dbraw/zinc/53/54/11/1124535411.db2.gz BBQRQQIMCZGMQI-IBGZPJMESA-N 1 3 331.504 2.494 10 0 EEAEHO C[C@@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)CN(C)CC(C)(C)C ZINC001568678727 1124690075 /nfs/dbraw/zinc/69/00/75/1124690075.db2.gz XLCSXLGOARWAHT-ZDUSSCGKSA-N 1 3 333.467 2.494 10 0 EEAEHO Cc1nsc(C)c1C[NH2+]CC[C@H](C)NC(=O)CN(C)C(C)C ZINC001568713756 1124731723 /nfs/dbraw/zinc/73/17/23/1124731723.db2.gz JGVPLKQDFMDGMM-LBPRGKRZSA-N 1 3 326.510 2.085 10 0 EEAEHO Cc1nc(CNCCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)sc1C ZINC001569257735 1125199431 /nfs/dbraw/zinc/19/94/31/1125199431.db2.gz KCHKRUNKODAPPI-HNNXBMFYSA-N 1 3 338.521 2.040 10 0 EEAEHO Cc1nc(CNCCCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)sc1C ZINC001569257735 1125199432 /nfs/dbraw/zinc/19/94/32/1125199432.db2.gz KCHKRUNKODAPPI-HNNXBMFYSA-N 1 3 338.521 2.040 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CCC[C@@H]([NH+](C)C)C2)[C@H]1c1ccccc1 ZINC000248132037 282184768 /nfs/dbraw/zinc/18/47/68/282184768.db2.gz WQKMFPKSWAKMAJ-FGTMMUONSA-N 1 3 330.476 2.167 10 0 EEAEHO CS[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1N(C)C ZINC000426995010 241362438 /nfs/dbraw/zinc/36/24/38/241362438.db2.gz LVRAJCZMSCDGQI-LSDHHAIUSA-N 1 3 327.538 2.003 10 0 EEAEHO C[C@@H](O)C[NH+]1CCC(CNCc2ccnc(-c3ccccc3)n2)CC1 ZINC000069347503 202988055 /nfs/dbraw/zinc/98/80/55/202988055.db2.gz BNWIZAUERQGBFV-MRXNPFEDSA-N 1 3 340.471 2.326 10 0 EEAEHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CC(C)C)CN(C)C)C1 ZINC000073722680 203272060 /nfs/dbraw/zinc/27/20/60/203272060.db2.gz AGWCJIUJNPDWRW-IRXDYDNUSA-N 1 3 326.529 2.336 10 0 EEAEHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CC(C)C)CN(C)C)C1 ZINC000073722680 203272063 /nfs/dbraw/zinc/27/20/63/203272063.db2.gz AGWCJIUJNPDWRW-IRXDYDNUSA-N 1 3 326.529 2.336 10 0 EEAEHO C[C@H]1[C@H](NC2CC[NH+](C3CC3)CC2)CC(=O)N1Cc1ccccc1 ZINC000459522135 245154506 /nfs/dbraw/zinc/15/45/06/245154506.db2.gz GBCVTKWLOCCLSO-HNAYVOBHSA-N 1 3 327.472 2.392 10 0 EEAEHO COc1cc2[nH+]ccc(N3C[C@H](C)N(CCO)C[C@H]3C)c2cc1OC ZINC000418991582 533179288 /nfs/dbraw/zinc/17/92/88/533179288.db2.gz FBUVYKNDYOFXQU-UONOGXRCSA-N 1 3 345.443 2.143 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)C(C)C ZINC000465975772 285244204 /nfs/dbraw/zinc/24/42/04/285244204.db2.gz BZJGXHURXJVJOA-DLBZAZTESA-N 1 3 326.529 2.336 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)C(C)C ZINC000465975772 285244205 /nfs/dbraw/zinc/24/42/05/285244205.db2.gz BZJGXHURXJVJOA-DLBZAZTESA-N 1 3 326.529 2.336 10 0 EEAEHO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000057825510 292147273 /nfs/dbraw/zinc/14/72/73/292147273.db2.gz DNTXGFJDLUTEDN-RTBURBONSA-N 1 3 344.503 2.435 10 0 EEAEHO CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000057825510 292147274 /nfs/dbraw/zinc/14/72/74/292147274.db2.gz DNTXGFJDLUTEDN-RTBURBONSA-N 1 3 344.503 2.435 10 0 EEAEHO CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000262680031 152305897 /nfs/dbraw/zinc/30/58/97/152305897.db2.gz WIOUDNULMKBHQM-RHSMWYFYSA-N 1 3 348.491 2.070 10 0 EEAEHO C[C@@H](NC(=O)N1CCN2CCC1CC2)[C@@H](c1ccccc1)[NH+](C)C ZINC000377252158 154106047 /nfs/dbraw/zinc/10/60/47/154106047.db2.gz BLZJXIHTKQXRFR-QAPCUYQASA-N 1 3 330.476 2.167 10 0 EEAEHO c1nc2n(n1)C[C@H](N[C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000249036266 160371667 /nfs/dbraw/zinc/37/16/67/160371667.db2.gz SRWATTIZCCMJCQ-AKHDSKFASA-N 1 3 337.471 2.378 10 0 EEAEHO c1nc2n(n1)C[C@H](N[C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000249036266 160371669 /nfs/dbraw/zinc/37/16/69/160371669.db2.gz SRWATTIZCCMJCQ-AKHDSKFASA-N 1 3 337.471 2.378 10 0 EEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000105148666 159297271 /nfs/dbraw/zinc/29/72/71/159297271.db2.gz AUVBZGWZBKDFFS-SJORKVTESA-N 1 3 326.529 2.382 10 0 EEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000105148666 159297273 /nfs/dbraw/zinc/29/72/73/159297273.db2.gz AUVBZGWZBKDFFS-SJORKVTESA-N 1 3 326.529 2.382 10 0 EEAEHO CC(C)N(C(=O)[C@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)C(C)C ZINC000105862417 159309606 /nfs/dbraw/zinc/30/96/06/159309606.db2.gz IXYBOABKZNNWFZ-SJORKVTESA-N 1 3 341.540 2.045 10 0 EEAEHO CCN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000194077191 160190265 /nfs/dbraw/zinc/19/02/65/160190265.db2.gz GQXGUDMJJYCMDD-OALUTQOASA-N 1 3 344.503 2.292 10 0 EEAEHO CCN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000194077191 160190267 /nfs/dbraw/zinc/19/02/67/160190267.db2.gz GQXGUDMJJYCMDD-OALUTQOASA-N 1 3 344.503 2.292 10 0 EEAEHO C[NH+](C)CCCCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000342387821 161061688 /nfs/dbraw/zinc/06/16/88/161061688.db2.gz ZTPGFXOEOQDDJZ-UHFFFAOYSA-N 1 3 346.519 2.047 10 0 EEAEHO C[C@H]1CN(C)C[C@@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000343555842 161146375 /nfs/dbraw/zinc/14/63/75/161146375.db2.gz FZXRXSYGZJHFRY-FPOVZHCZSA-N 1 3 344.547 2.124 10 0 EEAEHO C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1cccc(OCCN(C)C)c1 ZINC000453266201 287032669 /nfs/dbraw/zinc/03/26/69/287032669.db2.gz OBCQKEFZWDBESS-MJGOQNOKSA-N 1 3 349.519 2.124 10 0 EEAEHO C[NH+](C)CCOCCN[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000359004416 164033930 /nfs/dbraw/zinc/03/39/30/164033930.db2.gz PKVUNXYEUOFXJC-GOSISDBHSA-N 1 3 328.460 2.418 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)c1cccnc1 ZINC000359929011 164198665 /nfs/dbraw/zinc/19/86/65/164198665.db2.gz CGAUVKYHOLSCOR-HKUYNNGSSA-N 1 3 346.519 2.450 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)c1cccnc1 ZINC000359929011 164198667 /nfs/dbraw/zinc/19/86/67/164198667.db2.gz CGAUVKYHOLSCOR-HKUYNNGSSA-N 1 3 346.519 2.450 10 0 EEAEHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1OCCN(C)C ZINC000288275904 275041707 /nfs/dbraw/zinc/04/17/07/275041707.db2.gz HCHJCQLFYXMMHI-IAGOWNOFSA-N 1 3 345.487 2.326 10 0 EEAEHO CCC[C@@]1(NCC2(C[NH2+][C@@]3(CCC)CCOC3)COC2)CCOC1 ZINC000352822851 312387215 /nfs/dbraw/zinc/38/72/15/312387215.db2.gz HOMHRHCIGOPSAF-KDURUIRLSA-N 1 3 340.508 2.101 10 0 EEAEHO CCC[C@@]1([NH2+]CC2(CN[C@@]3(CCC)CCOC3)COC2)CCOC1 ZINC000352822851 312387218 /nfs/dbraw/zinc/38/72/18/312387218.db2.gz HOMHRHCIGOPSAF-KDURUIRLSA-N 1 3 340.508 2.101 10 0 EEAEHO CCCN1CCN(c2ccccc2CNCC[C@H]2CCC[NH2+]2)CC1 ZINC000414900433 313110022 /nfs/dbraw/zinc/11/00/22/313110022.db2.gz DJZXOZCTDNFFOW-LJQANCHMSA-N 1 3 330.520 2.450 10 0 EEAEHO CN(CCCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416879015 313346159 /nfs/dbraw/zinc/34/61/59/313346159.db2.gz WTBXKFHSYFEBHM-FQEVSTJZSA-N 1 3 344.503 2.294 10 0 EEAEHO CN(CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccncc1 ZINC000541857381 318112718 /nfs/dbraw/zinc/11/27/18/318112718.db2.gz LEGDAMHFJVKIMP-GOSISDBHSA-N 1 3 330.476 2.385 10 0 EEAEHO CN(C)CCOc1cccc(CNC(=O)c2ccccc2CC[NH3+])c1 ZINC000566405764 319282158 /nfs/dbraw/zinc/28/21/58/319282158.db2.gz DJHFZQVIJRAIOH-UHFFFAOYSA-N 1 3 341.455 2.058 10 0 EEAEHO C[C@H](CNC(=O)c1ccccc1OCCN(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000063749494 462669015 /nfs/dbraw/zinc/66/90/15/462669015.db2.gz YFMXFZHKYYQHLV-DLBZAZTESA-N 1 3 347.503 2.477 10 0 EEAEHO C[C@H](CNC(=O)c1ccccc1OCCN(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000063749494 462669020 /nfs/dbraw/zinc/66/90/20/462669020.db2.gz YFMXFZHKYYQHLV-DLBZAZTESA-N 1 3 347.503 2.477 10 0 EEAEHO CC(C)[NH+]1CCC(NC(=O)N[C@H](CN(C)C)c2ccccc2)CC1 ZINC000047884692 462832332 /nfs/dbraw/zinc/83/23/32/462832332.db2.gz LBTLTKDBPPRRJX-GOSISDBHSA-N 1 3 332.492 2.461 10 0 EEAEHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000047964845 462843050 /nfs/dbraw/zinc/84/30/50/462843050.db2.gz UDSOXEBQRDXSJS-AEFFLSMTSA-N 1 3 332.492 2.290 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000171898029 463945493 /nfs/dbraw/zinc/94/54/93/463945493.db2.gz PVHLCBUVRUJXRF-MOPGFXCFSA-N 1 3 344.503 2.341 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000171898029 463945499 /nfs/dbraw/zinc/94/54/99/463945499.db2.gz PVHLCBUVRUJXRF-MOPGFXCFSA-N 1 3 344.503 2.341 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)[C@H](C)C1 ZINC000246489934 464591712 /nfs/dbraw/zinc/59/17/12/464591712.db2.gz RQGJJWCWCOTGAT-MLHJIOFPSA-N 1 3 338.540 2.479 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)[C@H](C)C1 ZINC000246489934 464591713 /nfs/dbraw/zinc/59/17/13/464591713.db2.gz RQGJJWCWCOTGAT-MLHJIOFPSA-N 1 3 338.540 2.479 10 0 EEAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000247500529 464687033 /nfs/dbraw/zinc/68/70/33/464687033.db2.gz UZRNFZZPOYIKCX-NEWSRXKRSA-N 1 3 344.503 2.037 10 0 EEAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000247500529 464687035 /nfs/dbraw/zinc/68/70/35/464687035.db2.gz UZRNFZZPOYIKCX-NEWSRXKRSA-N 1 3 344.503 2.037 10 0 EEAEHO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@H](N2CC=CC2)C1 ZINC000176498557 464787317 /nfs/dbraw/zinc/78/73/17/464787317.db2.gz GARJUDGKTOATSI-IBGZPJMESA-N 1 3 346.519 2.439 10 0 EEAEHO CN(C(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H]1CN2CCC1CC2 ZINC000347954599 465332097 /nfs/dbraw/zinc/33/20/97/465332097.db2.gz SHLOVEKXCZPJET-IBGZPJMESA-N 1 3 327.472 2.449 10 0 EEAEHO CN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)[C@H]2CCC[C@H]21 ZINC000361185324 465824004 /nfs/dbraw/zinc/82/40/04/465824004.db2.gz BCQMYHYMBZIQMM-TXCZRRACSA-N 1 3 331.435 2.393 10 0 EEAEHO C[C@@H](CNC(=O)CCN1CCc2ccccc2C1)C[NH+]1CCCC1 ZINC000348938057 465882859 /nfs/dbraw/zinc/88/28/59/465882859.db2.gz BWEMEALRFXASCW-KRWDZBQOSA-N 1 3 329.488 2.283 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000371592276 465892045 /nfs/dbraw/zinc/89/20/45/465892045.db2.gz JPLKEYCBTVEEEW-QGZVFWFLSA-N 1 3 345.487 2.327 10 0 EEAEHO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1 ZINC000367612801 466447596 /nfs/dbraw/zinc/44/75/96/466447596.db2.gz BBECGVUOGKRHNO-KSZLIROESA-N 1 3 336.501 2.443 10 0 EEAEHO O=C(CCN1CCc2ccccc2C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000354368298 466512469 /nfs/dbraw/zinc/51/24/69/466512469.db2.gz UODGTROIYRNENJ-GOSISDBHSA-N 1 3 341.499 2.379 10 0 EEAEHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1ccc(-n2cncn2)cc1 ZINC000423194875 466694838 /nfs/dbraw/zinc/69/48/38/466694838.db2.gz ZHYWOJVIQFDPSR-INIZCTEOSA-N 1 3 336.443 2.493 10 0 EEAEHO CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417742151 466921252 /nfs/dbraw/zinc/92/12/52/466921252.db2.gz VTECXIUOWRDLCW-YCPHGPKFSA-N 1 3 338.521 2.428 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CN1Cc1ccccc1 ZINC000417874767 466965491 /nfs/dbraw/zinc/96/54/91/466965491.db2.gz NLOXQBNZSANNCE-YSHGAJCASA-N 1 3 342.487 2.043 10 0 EEAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)N(C)C ZINC000418159447 467061608 /nfs/dbraw/zinc/06/16/08/467061608.db2.gz AFSWHFKOWFSEHX-LAQRGFTBSA-N 1 3 332.492 2.283 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000418615137 467136189 /nfs/dbraw/zinc/13/61/89/467136189.db2.gz GTOXFSDZNLMTAD-NJAFHUGGSA-N 1 3 330.476 2.043 10 0 EEAEHO [NH3+]CCC[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccccc1 ZINC000418644841 467139812 /nfs/dbraw/zinc/13/98/12/467139812.db2.gz CQBHNJNREDMVRK-ROUUACIJSA-N 1 3 328.460 2.122 10 0 EEAEHO O[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cn1cccn1 ZINC000390897413 467415804 /nfs/dbraw/zinc/41/58/04/467415804.db2.gz OIULBEHRTNXPHV-NXEWRWPSSA-N 1 3 340.471 2.029 10 0 EEAEHO O[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cn1cccn1 ZINC000390897413 467415806 /nfs/dbraw/zinc/41/58/06/467415806.db2.gz OIULBEHRTNXPHV-NXEWRWPSSA-N 1 3 340.471 2.029 10 0 EEAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CNCCCO1 ZINC000415043523 467474424 /nfs/dbraw/zinc/47/44/24/467474424.db2.gz RPHHKGBSEFFHMF-BXUZGUMPSA-N 1 3 345.256 2.487 10 0 EEAEHO Cc1ccc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c(OCCN(C)C)c1 ZINC000415204480 467517984 /nfs/dbraw/zinc/51/79/84/467517984.db2.gz ODKWUJMXMCIRNR-MRXNPFEDSA-N 1 3 346.475 2.294 10 0 EEAEHO CSC1(CNCc2cc(-c3cccnc3)n[nH]2)CC[NH+](C)CC1 ZINC000514697364 467948700 /nfs/dbraw/zinc/94/87/00/467948700.db2.gz TZZDINDQAIDGME-UHFFFAOYSA-N 1 3 331.489 2.389 10 0 EEAEHO CSC1(C[NH2+]Cc2cc(-c3cccnc3)n[nH]2)CCN(C)CC1 ZINC000514697364 467948702 /nfs/dbraw/zinc/94/87/02/467948702.db2.gz TZZDINDQAIDGME-UHFFFAOYSA-N 1 3 331.489 2.389 10 0 EEAEHO COCCOc1ccccc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247954 467968341 /nfs/dbraw/zinc/96/83/41/467968341.db2.gz FGTHFHVIIANUCI-IBGZPJMESA-N 1 3 348.487 2.302 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000531446161 468053222 /nfs/dbraw/zinc/05/32/22/468053222.db2.gz UKADRLNPFLXFHP-NVXWUHKLSA-N 1 3 330.476 2.205 10 0 EEAEHO C[C@@]1(CNC(=O)N2CCC([NH3+])CC2)CCCN1Cc1ccccc1 ZINC000562813536 469080344 /nfs/dbraw/zinc/08/03/44/469080344.db2.gz BCDSMWJQYZWKGK-IBGZPJMESA-N 1 3 330.476 2.174 10 0 EEAEHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CCCCO1 ZINC000623868956 469784170 /nfs/dbraw/zinc/78/41/70/469784170.db2.gz LVKORAIDSUVIAV-XLIONFOSSA-N 1 3 331.504 2.481 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000627165538 469830689 /nfs/dbraw/zinc/83/06/89/469830689.db2.gz YQGAMYWYOCFFEV-DLBZAZTESA-N 1 3 332.492 2.337 10 0 EEAEHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627194343 469839211 /nfs/dbraw/zinc/83/92/11/469839211.db2.gz AWFPMSGEGBNSHE-IEBWSBKVSA-N 1 3 344.503 2.353 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C[NH2+]1 ZINC000627200941 469842887 /nfs/dbraw/zinc/84/28/87/469842887.db2.gz VXBFIBDAECOZND-AEFFLSMTSA-N 1 3 344.503 2.433 10 0 EEAEHO COc1cncc(CNCC2CC[NH+](C3CCOCC3)CC2)c1C ZINC000631170559 470085654 /nfs/dbraw/zinc/08/56/54/470085654.db2.gz DBGCCSXPVZWDCO-UHFFFAOYSA-N 1 3 333.476 2.379 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@H](O)C(F)F)CC1 ZINC000631217477 470095401 /nfs/dbraw/zinc/09/54/01/470095401.db2.gz WAORHJZTHGAGJJ-KRWDZBQOSA-N 1 3 341.446 2.324 10 0 EEAEHO CN1CCC[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000625297341 470114664 /nfs/dbraw/zinc/11/46/64/470114664.db2.gz LIUSRRDJFZVFES-SLFFLAALSA-N 1 3 341.499 2.355 10 0 EEAEHO CN1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000625297341 470114665 /nfs/dbraw/zinc/11/46/65/470114665.db2.gz LIUSRRDJFZVFES-SLFFLAALSA-N 1 3 341.499 2.355 10 0 EEAEHO CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000631661684 470176808 /nfs/dbraw/zinc/17/68/08/470176808.db2.gz BLXFJZQAORWNEX-NZSAHSFTSA-N 1 3 327.476 2.414 10 0 EEAEHO CCCN(C(=O)CC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCN(C)C1 ZINC000648997313 470421933 /nfs/dbraw/zinc/42/19/33/470421933.db2.gz MUFBEYCLJLYTFS-LJQANCHMSA-N 1 3 329.488 2.378 10 0 EEAEHO CCCN(C(=O)CC[N@H+]1CCc2ccccc2C1)[C@@H]1CCN(C)C1 ZINC000648997313 470421935 /nfs/dbraw/zinc/42/19/35/470421935.db2.gz MUFBEYCLJLYTFS-LJQANCHMSA-N 1 3 329.488 2.378 10 0 EEAEHO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)CO1 ZINC000657313292 471095264 /nfs/dbraw/zinc/09/52/64/471095264.db2.gz SGTOJMGOVJAZNW-VQTJNVASSA-N 1 3 331.504 2.481 10 0 EEAEHO CN1CCN(Cc2ccccc2)[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000657801382 471235331 /nfs/dbraw/zinc/23/53/31/471235331.db2.gz QJBPIVQMDYFMGB-NJDAHSKKSA-N 1 3 342.531 2.019 10 0 EEAEHO CN1CCN(Cc2ccccc2)[C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000657801382 471235335 /nfs/dbraw/zinc/23/53/35/471235335.db2.gz QJBPIVQMDYFMGB-NJDAHSKKSA-N 1 3 342.531 2.019 10 0 EEAEHO CO[C@H](C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)[C@@H]1CCOC1 ZINC000658075371 471264580 /nfs/dbraw/zinc/26/45/80/471264580.db2.gz XKJSWVXMFPGADZ-KVSKMBFKSA-N 1 3 336.476 2.329 10 0 EEAEHO C[NH2+]Cc1ccccc1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000652283354 471266631 /nfs/dbraw/zinc/26/66/31/471266631.db2.gz DGLCEDZSHDWBKY-UHFFFAOYSA-N 1 3 330.476 2.176 10 0 EEAEHO Cc1ccc2c(c1)[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H](C)C2 ZINC000666787924 471537199 /nfs/dbraw/zinc/53/71/99/471537199.db2.gz SJWYKSCFLLNFJE-APWZRJJASA-N 1 3 346.519 2.363 10 0 EEAEHO C[C@@]1(CNC(=O)NC[C@H]2CCCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000669565841 471560405 /nfs/dbraw/zinc/56/04/05/471560405.db2.gz LETRHDAHIHQUMI-QUCCMNQESA-N 1 3 344.503 2.482 10 0 EEAEHO CCN(CC)[C@@H](CNC(=O)N1CC2CC1(C[NH3+])C2)c1ccsc1 ZINC000659433330 471625066 /nfs/dbraw/zinc/62/50/66/471625066.db2.gz AFROCHAGTNDTFD-GULBITTBSA-N 1 3 336.505 2.264 10 0 EEAEHO CCN(C(=O)NCC1CC[NH+](CCC(C)C)CC1)[C@@H]1CCN(C)C1 ZINC000664349941 471726757 /nfs/dbraw/zinc/72/67/57/471726757.db2.gz NBLMRDNOPDEYFT-GOSISDBHSA-N 1 3 338.540 2.480 10 0 EEAEHO C[NH+](C)CCc1ccc(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)cc1 ZINC000661403522 471744819 /nfs/dbraw/zinc/74/48/19/471744819.db2.gz LTQBWQLOQUMJRO-SFHVURJKSA-N 1 3 346.519 2.463 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(C(F)F)nc1 ZINC000667619901 471846824 /nfs/dbraw/zinc/84/68/24/471846824.db2.gz OYPURSOLKCENCJ-LBPRGKRZSA-N 1 3 343.422 2.413 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(C(F)F)nc1 ZINC000667619901 471846829 /nfs/dbraw/zinc/84/68/29/471846829.db2.gz OYPURSOLKCENCJ-LBPRGKRZSA-N 1 3 343.422 2.413 10 0 EEAEHO CCc1cccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000665238981 471977067 /nfs/dbraw/zinc/97/70/67/471977067.db2.gz JNNDHCHGFQPRKU-INIZCTEOSA-N 1 3 334.508 2.320 10 0 EEAEHO CCc1cccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000665238981 471977069 /nfs/dbraw/zinc/97/70/69/471977069.db2.gz JNNDHCHGFQPRKU-INIZCTEOSA-N 1 3 334.508 2.320 10 0 EEAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000665274606 471986876 /nfs/dbraw/zinc/98/68/76/471986876.db2.gz UJXGIWXPRDLSMQ-ATZDWAIDSA-N 1 3 344.503 2.143 10 0 EEAEHO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1C[C@H](F)CN1 ZINC000662709822 472216977 /nfs/dbraw/zinc/21/69/77/472216977.db2.gz CTYZCWKFULNXEE-FGTMMUONSA-N 1 3 345.462 2.105 10 0 EEAEHO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]1C[C@H](F)CN1 ZINC000662709822 472216983 /nfs/dbraw/zinc/21/69/83/472216983.db2.gz CTYZCWKFULNXEE-FGTMMUONSA-N 1 3 345.462 2.105 10 0 EEAEHO O=C(NCC[NH2+]C1CC1)NCc1ccccc1CN1CCCCC1 ZINC000668864799 472302021 /nfs/dbraw/zinc/30/20/21/472302021.db2.gz YZJHYOONXRUZEF-UHFFFAOYSA-N 1 3 330.476 2.224 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457898556 535939633 /nfs/dbraw/zinc/93/96/33/535939633.db2.gz FXXXLJHNNJRNDB-GOSISDBHSA-N 1 3 346.519 2.333 10 0 EEAEHO COC[C@@H](CCC[NH3+])NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422842563 536596653 /nfs/dbraw/zinc/59/66/53/536596653.db2.gz FXXKBPFDSLDXMD-GOSISDBHSA-N 1 3 342.443 2.177 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N(C)CC[C@H]([NH3+])C(C)C)cc(Cl)n1 ZINC000841848193 681244853 /nfs/dbraw/zinc/24/48/53/681244853.db2.gz ARXLPJIBUGUXCO-UONOGXRCSA-N 1 3 326.872 2.265 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCN1C ZINC000925331363 692838797 /nfs/dbraw/zinc/83/87/97/692838797.db2.gz WPROGHAAEZHFFJ-BSDSXHPESA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CCN1C ZINC000925331363 692838800 /nfs/dbraw/zinc/83/88/00/692838800.db2.gz WPROGHAAEZHFFJ-BSDSXHPESA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccnn1CC1CCC1 ZINC000924663075 693098972 /nfs/dbraw/zinc/09/89/72/693098972.db2.gz ULSYHRKRYRUTMG-QGZVFWFLSA-N 1 3 333.524 2.361 10 0 EEAEHO C[C@@H](NC(=O)CN1CC[C@H](C)C1)C1C[NH+](CCCc2ccsc2)C1 ZINC001485526343 1191826243 /nfs/dbraw/zinc/82/62/43/1191826243.db2.gz NDLMKIAGHRGOHL-JKSUJKDBSA-N 1 3 349.544 2.459 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CCc1cccs1)C1CC1 ZINC001670543971 1176875836 /nfs/dbraw/zinc/87/58/36/1176875836.db2.gz ICEYRADNYFPIRC-MRXNPFEDSA-N 1 3 332.473 2.049 10 0 EEAEHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(Cl)c(OC)c1)N(C)C ZINC001266988954 1178045552 /nfs/dbraw/zinc/04/55/52/1178045552.db2.gz QNWIYQANASPONV-HNNXBMFYSA-N 1 3 341.883 2.237 10 0 EEAEHO CN(CC[NH2+]CC1CCC(C(F)(F)F)CC1)C(=O)CN1CCCC1 ZINC001267081573 1178203310 /nfs/dbraw/zinc/20/33/10/1178203310.db2.gz NVGUREJFJUIZHE-UHFFFAOYSA-N 1 3 349.441 2.499 10 0 EEAEHO COc1ccc(C)cc1CNCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001267473297 1179104381 /nfs/dbraw/zinc/10/43/81/1179104381.db2.gz INWYJXBTIUXRGF-IAGOWNOFSA-N 1 3 347.503 2.424 10 0 EEAEHO Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)CN3CC[C@@H](C)C3)C2)cs1 ZINC001481110710 1179763501 /nfs/dbraw/zinc/76/35/01/1179763501.db2.gz AUEVARLCOVXSEP-ZBFHGGJFSA-N 1 3 335.517 2.336 10 0 EEAEHO Cc1cc(C[N@@H+]2CC[C@@H](CNC(=O)CN3CC[C@@H](C)C3)C2)cs1 ZINC001481110710 1179763505 /nfs/dbraw/zinc/76/35/05/1179763505.db2.gz AUEVARLCOVXSEP-ZBFHGGJFSA-N 1 3 335.517 2.336 10 0 EEAEHO CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2cncc(C)c2)CC1)N(C)C ZINC001267915433 1180757128 /nfs/dbraw/zinc/75/71/28/1180757128.db2.gz HOFXHGOPKLLJSV-IBGZPJMESA-N 1 3 346.519 2.449 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]CCc1ccccc1Cl ZINC001268012656 1180974747 /nfs/dbraw/zinc/97/47/47/1180974747.db2.gz QQJCHANDSINGMK-CYBMUJFWSA-N 1 3 348.878 2.499 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001481306384 1180983185 /nfs/dbraw/zinc/98/31/85/1180983185.db2.gz ORVZWGGEZKWYIQ-INIZCTEOSA-N 1 3 325.884 2.474 10 0 EEAEHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1ccc(F)cc1F ZINC001481870962 1182831385 /nfs/dbraw/zinc/83/13/85/1182831385.db2.gz PFRDBIHMDIUHNG-OAHLLOKOSA-N 1 3 337.414 2.045 10 0 EEAEHO Cc1nocc1CNCC[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001481981888 1183077363 /nfs/dbraw/zinc/07/73/63/1183077363.db2.gz ANJLFMQFGMYEIL-INIZCTEOSA-N 1 3 336.480 2.043 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC/C=C\C[NH2+]C/C=C\c2ccccc2)C1 ZINC001268590833 1183393515 /nfs/dbraw/zinc/39/35/15/1183393515.db2.gz JWKLPNCHIAUPII-PSPJRRSOSA-N 1 3 327.472 2.304 10 0 EEAEHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001269471196 1184294468 /nfs/dbraw/zinc/29/44/68/1184294468.db2.gz GJPBZFLSTQGDCH-KGLIPLIRSA-N 1 3 326.872 2.060 10 0 EEAEHO CCCN(C)CC(=O)N1CCC(CC[NH2+]Cc2cnoc2C)CC1 ZINC001269935595 1184728200 /nfs/dbraw/zinc/72/82/00/1184728200.db2.gz UHPHHOANCQFCLJ-UHFFFAOYSA-N 1 3 336.480 2.043 10 0 EEAEHO Cc1nn(C(C)C)cc1CNC[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482323132 1185357714 /nfs/dbraw/zinc/35/77/14/1185357714.db2.gz LDAVVNFSBYOSPN-OAHLLOKOSA-N 1 3 349.523 2.051 10 0 EEAEHO C[C@H](CNCc1ccccc1OC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482365589 1185524169 /nfs/dbraw/zinc/52/41/69/1185524169.db2.gz WUZREJJIIPOFRA-NVXWUHKLSA-N 1 3 345.487 2.116 10 0 EEAEHO C[C@H](CNCc1ccccc1OC1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482365589 1185524177 /nfs/dbraw/zinc/52/41/77/1185524177.db2.gz WUZREJJIIPOFRA-NVXWUHKLSA-N 1 3 345.487 2.116 10 0 EEAEHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000291109731 1187626753 /nfs/dbraw/zinc/62/67/53/1187626753.db2.gz SOVWLHWNBQDTCR-JZXOWHBKSA-N 1 3 344.503 2.454 10 0 EEAEHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000291109731 1187626757 /nfs/dbraw/zinc/62/67/57/1187626757.db2.gz SOVWLHWNBQDTCR-JZXOWHBKSA-N 1 3 344.503 2.454 10 0 EEAEHO C[C@H](CCNCc1nccs1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001482876861 1187796215 /nfs/dbraw/zinc/79/62/15/1187796215.db2.gz LMSMHSPQUDBKBP-HUUCEWRRSA-N 1 3 338.521 2.392 10 0 EEAEHO CCc1ccccc1C[NH2+]C/C=C\CNC(=O)CN1CC[C@H](C)C1 ZINC001483059490 1188353087 /nfs/dbraw/zinc/35/30/87/1188353087.db2.gz SMBLEWHSCVWGHI-TUYSUELWSA-N 1 3 329.488 2.353 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC/C=C/CN[C@H]2CCc3c2cccc3F)C1 ZINC001483082598 1188445372 /nfs/dbraw/zinc/44/53/72/1188445372.db2.gz SLJMGWDKTORWDT-QIGIYGOBSA-N 1 3 345.462 2.417 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC/C=C/CN[C@H]2CCc3c2cccc3F)C1 ZINC001483082598 1188445374 /nfs/dbraw/zinc/44/53/74/1188445374.db2.gz SLJMGWDKTORWDT-QIGIYGOBSA-N 1 3 345.462 2.417 10 0 EEAEHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001483099033 1188475858 /nfs/dbraw/zinc/47/58/58/1188475858.db2.gz VPTFVMAXWIUHAK-RGDDUWESSA-N 1 3 331.451 2.414 10 0 EEAEHO Cc1cccnc1CN[C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001409348561 1189556394 /nfs/dbraw/zinc/55/63/94/1189556394.db2.gz DKYJGCNQJJXBHH-JKSUJKDBSA-N 1 3 332.492 2.247 10 0 EEAEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC001409361543 1189576869 /nfs/dbraw/zinc/57/68/69/1189576869.db2.gz JVJOMNCFPVENQP-HZPDHXFCSA-N 1 3 347.503 2.036 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(OC)c1 ZINC001483296717 1190319670 /nfs/dbraw/zinc/31/96/70/1190319670.db2.gz PSMPFANNDIUTGN-MAUKXSAKSA-N 1 3 333.476 2.164 10 0 EEAEHO Cc1ccncc1C[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001483578459 1190567067 /nfs/dbraw/zinc/56/70/67/1190567067.db2.gz GNCAJLPILCEZSI-SFHVURJKSA-N 1 3 344.503 2.249 10 0 EEAEHO O=C(CN1CCCC1)N1CC[C@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001272641513 1190948504 /nfs/dbraw/zinc/94/85/04/1190948504.db2.gz JGFMLKQSOWVIMA-INIZCTEOSA-N 1 3 333.451 2.250 10 0 EEAEHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001409905000 1190992864 /nfs/dbraw/zinc/99/28/64/1190992864.db2.gz CGWAMDQVPLBMAL-KGLIPLIRSA-N 1 3 331.451 2.200 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CCOc2ccccc2)C1)N(C)C ZINC001484100817 1191210744 /nfs/dbraw/zinc/21/07/44/1191210744.db2.gz IYCYGHZQNMYAJX-UYAOXDASSA-N 1 3 347.503 2.234 10 0 EEAEHO C[C@]1(C[NH2+]CC2CC3(CCC3)C2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484113780 1191213970 /nfs/dbraw/zinc/21/39/70/1191213970.db2.gz IUBKWMOVKPDOKK-GOSISDBHSA-N 1 3 330.476 2.361 10 0 EEAEHO CC(C)(C(=O)NCC1(C)CC[NH+](CCCF)CC1)N1CCCC1 ZINC001484139840 1191230151 /nfs/dbraw/zinc/23/01/51/1191230151.db2.gz CESNOHZUIKXDEF-UHFFFAOYSA-N 1 3 327.488 2.439 10 0 EEAEHO CCN(Cc1cncs1)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001485032305 1191622393 /nfs/dbraw/zinc/62/23/93/1191622393.db2.gz RZHLYHGSIMJMTI-UHFFFAOYSA-N 1 3 338.521 2.155 10 0 EEAEHO Cc1ccccc1OCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001485155143 1191668090 /nfs/dbraw/zinc/66/80/90/1191668090.db2.gz IQYQGNMIFVIOCR-DLBZAZTESA-N 1 3 347.503 2.341 10 0 EEAEHO Cc1cccnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001486220529 1193758360 /nfs/dbraw/zinc/75/83/60/1193758360.db2.gz MLGUMQVBGRNNDA-IAGOWNOFSA-N 1 3 332.492 2.105 10 0 EEAEHO Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)cn1 ZINC001273053543 1194357770 /nfs/dbraw/zinc/35/77/70/1194357770.db2.gz YWOZPEXVFKTISM-QAPCUYQASA-N 1 3 347.507 2.032 10 0 EEAEHO CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001410218050 1197611153 /nfs/dbraw/zinc/61/11/53/1197611153.db2.gz BHNXAKURBYEKDM-YRBFXIGRSA-N 1 3 345.478 2.431 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC001410501213 1198055714 /nfs/dbraw/zinc/05/57/14/1198055714.db2.gz GTKVDIJRCARLOK-AEFFLSMTSA-N 1 3 332.492 2.201 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC001410501230 1198055985 /nfs/dbraw/zinc/05/59/85/1198055985.db2.gz GTKVDIJRCARLOK-SJLPKXTDSA-N 1 3 332.492 2.201 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCc2ccccc2F)C[C@H]1C ZINC001410837427 1198481276 /nfs/dbraw/zinc/48/12/76/1198481276.db2.gz BFAGRJIYNFHDEY-WBVHZDCISA-N 1 3 335.467 2.287 10 0 EEAEHO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)cc1 ZINC001410840567 1198489203 /nfs/dbraw/zinc/48/92/03/1198489203.db2.gz DNCNHFGLWDTKQX-NVXWUHKLSA-N 1 3 333.476 2.114 10 0 EEAEHO COc1cccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)c1 ZINC001410862670 1198512930 /nfs/dbraw/zinc/51/29/30/1198512930.db2.gz STVDOXLVLBNHGE-QAPCUYQASA-N 1 3 333.476 2.114 10 0 EEAEHO C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H](NC/C(Cl)=C/Cl)[C@H]2C1 ZINC001410924229 1198588185 /nfs/dbraw/zinc/58/81/85/1198588185.db2.gz MMSAAAQBLIVBPY-RLKXXBDZSA-N 1 3 348.318 2.474 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870872705 1200922682 /nfs/dbraw/zinc/92/26/82/1200922682.db2.gz HCDGBECSACEAFN-LOPSVYGOSA-N 1 3 327.472 2.470 10 0 EEAEHO O=C(NC/C=C/CN[C@H]1CCc2ccc(F)cc21)C12CC[NH+](CC1)C2 ZINC001274508226 1205062794 /nfs/dbraw/zinc/06/27/94/1205062794.db2.gz HGWJUOXICQVSRS-KROLTMCQSA-N 1 3 343.446 2.171 10 0 EEAEHO O=C1O[C@@H](CN[C@@H]2CCCOc3ccc(F)cc32)CC12CC[NH2+]CC2 ZINC000925849195 1206160194 /nfs/dbraw/zinc/16/01/94/1206160194.db2.gz BRBLQIRRLXWZGI-GDBMZVCRSA-N 1 3 348.418 2.314 10 0 EEAEHO COCCN1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000930684203 1206575654 /nfs/dbraw/zinc/57/56/54/1206575654.db2.gz NJFKNVLQVIZFOI-UHFFFAOYSA-N 1 3 349.475 2.060 10 0 EEAEHO CN(C)[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)Cc1ccccc1 ZINC000900013964 1233974430 /nfs/dbraw/zinc/97/44/30/1233974430.db2.gz SUZQNTZDJGPFLO-QYZOEREBSA-N 1 3 329.488 2.292 10 0 EEAEHO CN(C)[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)Cc1ccccc1 ZINC000900013964 1233974435 /nfs/dbraw/zinc/97/44/35/1233974435.db2.gz SUZQNTZDJGPFLO-QYZOEREBSA-N 1 3 329.488 2.292 10 0 EEAEHO C[C@H](C(=O)NC[C@H]1CCN(C/C=C/Cl)C1)[NH+]1CCCCCC1 ZINC001493240153 1249603685 /nfs/dbraw/zinc/60/36/85/1249603685.db2.gz IIRVRYBOFZOZGH-CGMDNHBQSA-N 1 3 327.900 2.442 10 0 EEAEHO CCN1CCN(CCC[NH2+][C@H](C)[C@H]2COc3ccccc3C2)CC1 ZINC000902745453 1238380816 /nfs/dbraw/zinc/38/08/16/1238380816.db2.gz OJMXALAETQPMAV-IEBWSBKVSA-N 1 3 331.504 2.243 10 0 EEAEHO COc1ccc(C[C@@H](C)NC[C@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000903958232 1242724675 /nfs/dbraw/zinc/72/46/75/1242724675.db2.gz XJXAPRUKJCGCAL-TZMCWYRMSA-N 1 3 328.403 2.469 10 0 EEAEHO CC[C@H](CNC(=O)C=C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000852859146 1292218280 /nfs/dbraw/zinc/21/82/80/1292218280.db2.gz QNPYSCKIMRJAGM-LJQANCHMSA-N 1 3 327.472 2.249 10 0 EEAEHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCOc1ccccc1)N(C)C ZINC001277874527 1305004465 /nfs/dbraw/zinc/00/44/65/1305004465.db2.gz PUUODEHBSXAOOD-HKUYNNGSSA-N 1 3 347.503 2.232 10 0 EEAEHO CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCOC2CCC2)C1)N(C)C ZINC001264126153 1322635724 /nfs/dbraw/zinc/63/57/24/1322635724.db2.gz RRZFWCSKHZIFRB-AEFFLSMTSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2C1)N(C)C ZINC001279409586 1323899239 /nfs/dbraw/zinc/89/92/39/1323899239.db2.gz DVBLUXNOVSKTCN-BBWFWOEESA-N 1 3 327.488 2.103 10 0 EEAEHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCCCF)C[C@@H]2C1)N(C)C ZINC001279409586 1323899244 /nfs/dbraw/zinc/89/92/44/1323899244.db2.gz DVBLUXNOVSKTCN-BBWFWOEESA-N 1 3 327.488 2.103 10 0 EEAEHO CN(C)Cc1cccc(C(=O)N(C)C[C@@H](O)C[NH2+]CCC(C)(C)C)c1 ZINC001284477947 1326575476 /nfs/dbraw/zinc/57/54/76/1326575476.db2.gz RNAZOCDMXULBEU-SFHVURJKSA-N 1 3 349.519 2.207 10 0 EEAEHO Cc1ccc(CNCCN(C)C(=O)C2CC[NH+](C(C)C)CC2)c(C)n1 ZINC001317646845 1332346566 /nfs/dbraw/zinc/34/65/66/1332346566.db2.gz NOPCGOWWPBNGDF-UHFFFAOYSA-N 1 3 346.519 2.367 10 0 EEAEHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1ccc(F)c(F)c1)N(C)C ZINC001319478756 1332709130 /nfs/dbraw/zinc/70/91/30/1332709130.db2.gz VFOBRKRHRZESKH-SUMWQHHRSA-N 1 3 341.446 2.284 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1ccnc(Cl)c1 ZINC001321868178 1333170805 /nfs/dbraw/zinc/17/08/05/1333170805.db2.gz UXEFIOVPWWHDKQ-ZFWWWQNUSA-N 1 3 338.883 2.204 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1ccnc(Cl)c1 ZINC001321868178 1333170809 /nfs/dbraw/zinc/17/08/09/1333170809.db2.gz UXEFIOVPWWHDKQ-ZFWWWQNUSA-N 1 3 338.883 2.204 10 0 EEAEHO COCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001322373590 1333255840 /nfs/dbraw/zinc/25/58/40/1333255840.db2.gz YNVARAHIJRHQNJ-OALUTQOASA-N 1 3 347.503 2.273 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCCN[C@@H](C)c2cnccn2)C1 ZINC001322658096 1333302548 /nfs/dbraw/zinc/30/25/48/1333302548.db2.gz RZDFTRGPZUUZNJ-IRXDYDNUSA-N 1 3 347.507 2.098 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCCN[C@@H](C)c2cnccn2)C1 ZINC001322658096 1333302551 /nfs/dbraw/zinc/30/25/51/1333302551.db2.gz RZDFTRGPZUUZNJ-IRXDYDNUSA-N 1 3 347.507 2.098 10 0 EEAEHO COCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1(N(C)C)CCC1 ZINC001323657915 1333510422 /nfs/dbraw/zinc/51/04/22/1333510422.db2.gz FBRBJLVKCMKRLL-ALOPSCKCSA-N 1 3 337.508 2.009 10 0 EEAEHO CCCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001330432130 1334843409 /nfs/dbraw/zinc/84/34/09/1334843409.db2.gz VZQFMQRDZNPNPX-SJORKVTESA-N 1 3 341.540 2.360 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCCC(C)(C)C ZINC001331806211 1335646102 /nfs/dbraw/zinc/64/61/02/1335646102.db2.gz WSFJSCZXKWLPFF-DLBZAZTESA-N 1 3 341.540 2.142 10 0 EEAEHO CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001436358408 1342050049 /nfs/dbraw/zinc/05/00/49/1342050049.db2.gz GRTICVJZOHAMDY-AFIMGQEJSA-N 1 3 345.478 2.431 10 0 EEAEHO CN(CCCNCc1nccs1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001670249385 1356304726 /nfs/dbraw/zinc/30/47/26/1356304726.db2.gz LHSSWOGWHLCAQZ-UHFFFAOYSA-N 1 3 326.510 2.059 10 0 EEAEHO CN(CCCNCc1nccs1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001670249385 1356304730 /nfs/dbraw/zinc/30/47/30/1356304730.db2.gz LHSSWOGWHLCAQZ-UHFFFAOYSA-N 1 3 326.510 2.059 10 0 EEAEHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1NCC=C(Cl)Cl ZINC001502754157 1342229348 /nfs/dbraw/zinc/22/93/48/1342229348.db2.gz MCCPZCKJPHKJSB-OLZOCXBDSA-N 1 3 336.307 2.474 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CCCOC)C1 ZINC001566746196 1342622653 /nfs/dbraw/zinc/62/26/53/1342622653.db2.gz CPUKHNOKJRIPIK-MSOLQXFVSA-N 1 3 339.524 2.068 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CCCOC)C1 ZINC001566746196 1342622654 /nfs/dbraw/zinc/62/26/54/1342622654.db2.gz CPUKHNOKJRIPIK-MSOLQXFVSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1ncc(CNC[C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001566909945 1342650607 /nfs/dbraw/zinc/65/06/07/1342650607.db2.gz INIRUVIXBYCQOW-MRXNPFEDSA-N 1 3 336.480 2.043 10 0 EEAEHO CCOCCN1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001571527560 1343229180 /nfs/dbraw/zinc/22/91/80/1343229180.db2.gz ZTURXVSOXNGDPM-APWZRJJASA-N 1 3 347.503 2.367 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001655815035 1354185860 /nfs/dbraw/zinc/18/58/60/1354185860.db2.gz NKWMWKTVOWYCST-IEBWSBKVSA-N 1 3 331.504 2.398 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)CCOCC[N@H+](C)C(C)C ZINC001656870673 1354288994 /nfs/dbraw/zinc/28/89/94/1354288994.db2.gz CQQSWIDDICEBAT-KRWDZBQOSA-N 1 3 327.513 2.065 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)CCOCC[N@@H+](C)C(C)C ZINC001656870673 1354288996 /nfs/dbraw/zinc/28/89/96/1354288996.db2.gz CQQSWIDDICEBAT-KRWDZBQOSA-N 1 3 327.513 2.065 10 0 EEAEHO CN(C)C1(C(=O)NCCC[N@H+](C[C@@H]2CCCCO2)C2CC2)CCC1 ZINC001660691462 1354518211 /nfs/dbraw/zinc/51/82/11/1354518211.db2.gz OTEKLJRDCCNXPJ-KRWDZBQOSA-N 1 3 337.508 2.011 10 0 EEAEHO CN(C)C1(C(=O)NCCC[N@@H+](C[C@@H]2CCCCO2)C2CC2)CCC1 ZINC001660691462 1354518215 /nfs/dbraw/zinc/51/82/15/1354518215.db2.gz OTEKLJRDCCNXPJ-KRWDZBQOSA-N 1 3 337.508 2.011 10 0 EEAEHO COCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001662761630 1354840646 /nfs/dbraw/zinc/84/06/46/1354840646.db2.gz ZOJGAIPOKMORSE-DLBZAZTESA-N 1 3 339.524 2.304 10 0 EEAEHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cncs1)N(C)C ZINC001663072582 1354908192 /nfs/dbraw/zinc/90/81/92/1354908192.db2.gz WJDWJVMYPWLLIR-GDBMZVCRSA-N 1 3 338.521 2.344 10 0 EEAEHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1cncs1)N(C)C ZINC001663072582 1354908197 /nfs/dbraw/zinc/90/81/97/1354908197.db2.gz WJDWJVMYPWLLIR-GDBMZVCRSA-N 1 3 338.521 2.344 10 0 EEAEHO CN(C)Cc1cccc(C(=O)N(C)CC[NH2+]CC[C@@H]2CCCCO2)c1 ZINC001664392093 1355152911 /nfs/dbraw/zinc/15/29/11/1355152911.db2.gz XSIYTUDUZHBJDM-IBGZPJMESA-N 1 3 347.503 2.369 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOCC(C)C ZINC001666486680 1355531343 /nfs/dbraw/zinc/53/13/43/1355531343.db2.gz SDDULYLLCZYQSR-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001666568141 1355546320 /nfs/dbraw/zinc/54/63/20/1355546320.db2.gz IWLSZKPHGXBCNO-CJNGLKHVSA-N 1 3 340.899 2.163 10 0 EEAEHO Cc1ncc(CNCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)o1 ZINC001668325912 1355924049 /nfs/dbraw/zinc/92/40/49/1355924049.db2.gz MYBNNUFMUURZEO-RHSMWYFYSA-N 1 3 336.480 2.088 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC1CCOCC1 ZINC001668326566 1355924139 /nfs/dbraw/zinc/92/41/39/1355924139.db2.gz SBSYESBLAXGKGO-AEFFLSMTSA-N 1 3 339.524 2.162 10 0 EEAEHO CCN(CC[NH2+]CCc1ccc(C)cc1)C(=O)C1(N(C)C)CCC1 ZINC001668453525 1355944207 /nfs/dbraw/zinc/94/42/07/1355944207.db2.gz UOPCPPHIVKZCLT-UHFFFAOYSA-N 1 3 331.504 2.460 10 0 EEAEHO COCCC[NH2+]C1CCC(N(C)C(=O)CN(C)CC(C)(C)C)CC1 ZINC001674804542 1356899010 /nfs/dbraw/zinc/89/90/10/1356899010.db2.gz LDJLQVQQHLOEMQ-UHFFFAOYSA-N 1 3 341.540 2.360 10 0 EEAEHO Cc1nc(C)c(CNCCCN(C)C(=O)CC[NH+]2CCCCC2)o1 ZINC001699551653 1405388211 /nfs/dbraw/zinc/38/82/11/1405388211.db2.gz QHFGHIOEENVUSV-UHFFFAOYSA-N 1 3 336.480 2.106 10 0 EEAEHO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(NC4=NCCC4)cc3)C2)C1 ZINC000908361392 785355916 /nfs/dbraw/zinc/35/59/16/785355916.db2.gz AULWJMSJIIACAP-LJQANCHMSA-N 1 3 326.444 2.459 10 0 EEAEHO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(NC4=NCCC4)cc3)C2)C1 ZINC000908361392 785355927 /nfs/dbraw/zinc/35/59/27/785355927.db2.gz AULWJMSJIIACAP-LJQANCHMSA-N 1 3 326.444 2.459 10 0 EEAEHO CN(Cc1cccc(Br)c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303512 789342583 /nfs/dbraw/zinc/34/25/83/789342583.db2.gz FENUTJTWQVYJDD-CQSZACIVSA-N 1 3 325.250 2.259 10 0 EEAEHO C[C@H]1CN(CC(=O)N(C)Cc2c(F)cccc2Cl)CC[C@@H]1C[NH3+] ZINC000923502952 789668473 /nfs/dbraw/zinc/66/84/73/789668473.db2.gz FIYABTUBYIUTAN-QWHCGFSZSA-N 1 3 341.858 2.354 10 0 EEAEHO C[C@H](OCCCNC(=O)CN1CC[C@@H](C[NH3+])[C@@H](C)C1)c1ccccc1 ZINC000923497148 789671400 /nfs/dbraw/zinc/67/14/00/789671400.db2.gz FRPAYISZFSEXCN-LNLFQRSKSA-N 1 3 347.503 2.187 10 0 EEAEHO CC(C)OCc1cccc(CNC(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923497431 789672930 /nfs/dbraw/zinc/67/29/30/789672930.db2.gz LOYFYJQAQZQXSU-QFBILLFUSA-N 1 3 347.503 2.145 10 0 EEAEHO COc1ccccc1[C@H](C)N(C)C(=O)CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923498442 789679038 /nfs/dbraw/zinc/67/90/38/789679038.db2.gz PPBGCCAPVJJFNM-HRCADAONSA-N 1 3 333.476 2.131 10 0 EEAEHO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503632 789700552 /nfs/dbraw/zinc/70/05/52/789700552.db2.gz JVFXKONSNHPOGT-BJJFTJIOSA-N 1 3 333.520 2.377 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001566225070 1125590917 /nfs/dbraw/zinc/59/09/17/1125590917.db2.gz IBLDYBTTZKJOCJ-FGTMMUONSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H](C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001566225070 1125590923 /nfs/dbraw/zinc/59/09/23/1125590923.db2.gz IBLDYBTTZKJOCJ-FGTMMUONSA-N 1 3 339.524 2.112 10 0 EEAEHO CCN(CCCNC(=O)C1CC[NH+](C)CC1)Cc1scnc1C ZINC001566564018 1125738503 /nfs/dbraw/zinc/73/85/03/1125738503.db2.gz PYPWJITZSHGXEQ-UHFFFAOYSA-N 1 3 338.521 2.122 10 0 EEAEHO C[NH+](C)CCCC(=O)N1CCCCC[C@H](NCc2ccns2)C1 ZINC001436474701 1087940868 /nfs/dbraw/zinc/94/08/68/1087940868.db2.gz IKMQPOUUOWNLAX-HNNXBMFYSA-N 1 3 338.521 2.346 10 0 EEAEHO C[C@H](C(=O)NC[C@H](C)[NH2+]CCC1CCOCC1)N1CCCCCC1 ZINC001437211855 1089290269 /nfs/dbraw/zinc/29/02/69/1089290269.db2.gz FTWQEUASEBBJKF-DLBZAZTESA-N 1 3 339.524 2.162 10 0 EEAEHO Cc1csc(CN[C@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)n1 ZINC001437399717 1089661454 /nfs/dbraw/zinc/66/14/54/1089661454.db2.gz RLIPOXOGLANJCS-CYBMUJFWSA-N 1 3 338.521 2.310 10 0 EEAEHO CCN(C/C=C/c1ccccc1)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001437638647 1090155708 /nfs/dbraw/zinc/15/57/08/1090155708.db2.gz LLQFQCUWBAKCAP-QPGLYAHGSA-N 1 3 329.488 2.480 10 0 EEAEHO CCN(C/C=C/c1ccccc1)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001437638647 1090155712 /nfs/dbraw/zinc/15/57/12/1090155712.db2.gz LLQFQCUWBAKCAP-QPGLYAHGSA-N 1 3 329.488 2.480 10 0 EEAEHO CCN(C/C=C\c1ccccc1)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001437638642 1090155887 /nfs/dbraw/zinc/15/58/87/1090155887.db2.gz LLQFQCUWBAKCAP-JNLAIUADSA-N 1 3 329.488 2.480 10 0 EEAEHO CCN(C/C=C\c1ccccc1)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001437638642 1090155893 /nfs/dbraw/zinc/15/58/93/1090155893.db2.gz LLQFQCUWBAKCAP-JNLAIUADSA-N 1 3 329.488 2.480 10 0 EEAEHO Cc1cc(F)ccc1C[N@H+]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001437728039 1090284731 /nfs/dbraw/zinc/28/47/31/1090284731.db2.gz OGVBJAXUXGBQMT-DOTOQJQBSA-N 1 3 347.478 2.414 10 0 EEAEHO Cc1cc(F)ccc1C[N@@H+]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001437728039 1090284738 /nfs/dbraw/zinc/28/47/38/1090284738.db2.gz OGVBJAXUXGBQMT-DOTOQJQBSA-N 1 3 347.478 2.414 10 0 EEAEHO CCc1cccc(CN(CCNC(=O)C23CC[NH+](CC2)C3)C2CC2)c1 ZINC001437812957 1090406514 /nfs/dbraw/zinc/40/65/14/1090406514.db2.gz DQVFEDVOCDMPBK-UHFFFAOYSA-N 1 3 341.499 2.425 10 0 EEAEHO Cc1ccc(F)c(CNC[C@@H](C)N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001438650345 1091134727 /nfs/dbraw/zinc/13/47/27/1091134727.db2.gz ZSBWLUGICUQCCZ-QAPCUYQASA-N 1 3 347.478 2.412 10 0 EEAEHO C[C@@H](CNCc1cncs1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001439212984 1091855554 /nfs/dbraw/zinc/85/55/54/1091855554.db2.gz GPWFMIGCLDTVCN-BBRMVZONSA-N 1 3 336.505 2.144 10 0 EEAEHO C[C@@H](CNCc1cncs1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001439212984 1091855559 /nfs/dbraw/zinc/85/55/59/1091855559.db2.gz GPWFMIGCLDTVCN-BBRMVZONSA-N 1 3 336.505 2.144 10 0 EEAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCc2ccccc2F)CC1 ZINC001439676460 1092617228 /nfs/dbraw/zinc/61/72/28/1092617228.db2.gz MEJCLCOUAUEPBP-IYBDPMFKSA-N 1 3 347.478 2.479 10 0 EEAEHO Cc1cncc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001440116625 1093177576 /nfs/dbraw/zinc/17/75/76/1093177576.db2.gz FYCBJYVNCOVNQO-FUHWJXTLSA-N 1 3 332.492 2.057 10 0 EEAEHO CC(C)OCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001440197188 1093266597 /nfs/dbraw/zinc/26/65/97/1093266597.db2.gz WTWDIXIKDIIQDE-KURKYZTESA-N 1 3 339.524 2.063 10 0 EEAEHO CC(C)OCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001440197188 1093266600 /nfs/dbraw/zinc/26/66/00/1093266600.db2.gz WTWDIXIKDIIQDE-KURKYZTESA-N 1 3 339.524 2.063 10 0 EEAEHO CC(C)N(C)CC(=O)NCc1ccc([C@@H](C)[NH2+]C[C@H]2CCOC2)cc1 ZINC001440224876 1093304819 /nfs/dbraw/zinc/30/48/19/1093304819.db2.gz RGFAFTWSBPVTRB-SJLPKXTDSA-N 1 3 347.503 2.330 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CC3(CCC3)C2)C1 ZINC001440241467 1093329335 /nfs/dbraw/zinc/32/93/35/1093329335.db2.gz JHJUUGQGDKBQFY-WMZOPIPTSA-N 1 3 333.520 2.441 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@H+]2CC2CC3(CCC3)C2)C1 ZINC001440241467 1093329344 /nfs/dbraw/zinc/32/93/44/1093329344.db2.gz JHJUUGQGDKBQFY-WMZOPIPTSA-N 1 3 333.520 2.441 10 0 EEAEHO CN(CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCF)C[C@@H]2C1)CC(C)(C)C ZINC001448469215 1093481776 /nfs/dbraw/zinc/48/17/76/1093481776.db2.gz KFIVQONXWWCYGJ-HRCADAONSA-N 1 3 327.488 2.151 10 0 EEAEHO CN(CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCF)C[C@@H]2C1)CC(C)(C)C ZINC001448469215 1093481781 /nfs/dbraw/zinc/48/17/81/1093481781.db2.gz KFIVQONXWWCYGJ-HRCADAONSA-N 1 3 327.488 2.151 10 0 EEAEHO Cc1cccnc1CNC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001440337266 1093482619 /nfs/dbraw/zinc/48/26/19/1093482619.db2.gz ICJRGQTWMSSHRQ-IRXDYDNUSA-N 1 3 344.503 2.249 10 0 EEAEHO Cc1cccnc1CNC1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC001440337266 1093482623 /nfs/dbraw/zinc/48/26/23/1093482623.db2.gz ICJRGQTWMSSHRQ-IRXDYDNUSA-N 1 3 344.503 2.249 10 0 EEAEHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1(NCc2ccccn2)CCC1 ZINC001440351350 1093504010 /nfs/dbraw/zinc/50/40/10/1093504010.db2.gz FYYIXXDHPDIXKX-HZPDHXFCSA-N 1 3 330.476 2.083 10 0 EEAEHO Cc1ccc(CC[NH2+][C@@H](C)CN(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001448730812 1093801246 /nfs/dbraw/zinc/80/12/46/1093801246.db2.gz VJADYJNAGNKQFH-ROUUACIJSA-N 1 3 331.504 2.316 10 0 EEAEHO Cc1nsc(C)c1C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001440598968 1093862923 /nfs/dbraw/zinc/86/29/23/1093862923.db2.gz ZCNPNEVZMSVATH-BLLLJJGKSA-N 1 3 338.521 2.037 10 0 EEAEHO CC(C)N(C)CC(=O)NC1(CO)CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001440697749 1093948707 /nfs/dbraw/zinc/94/87/07/1093948707.db2.gz BBDPBFFSRLJTJP-KRWDZBQOSA-N 1 3 347.503 2.031 10 0 EEAEHO COc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN(C)C(C)C)cc1 ZINC001440748815 1093994682 /nfs/dbraw/zinc/99/46/82/1093994682.db2.gz MVMOTZPSXFEEOL-SFHVURJKSA-N 1 3 347.503 2.458 10 0 EEAEHO COc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN(C)C(C)C)cc1 ZINC001440748815 1093994685 /nfs/dbraw/zinc/99/46/85/1093994685.db2.gz MVMOTZPSXFEEOL-SFHVURJKSA-N 1 3 347.503 2.458 10 0 EEAEHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001440805376 1094051892 /nfs/dbraw/zinc/05/18/92/1094051892.db2.gz ZYDFDTJOYZKKCC-QWHCGFSZSA-N 1 3 339.430 2.432 10 0 EEAEHO Cc1noc(C)c1C[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001449051281 1094065916 /nfs/dbraw/zinc/06/59/16/1094065916.db2.gz BDPMQXWTPAOSBK-JKSUJKDBSA-N 1 3 336.480 2.006 10 0 EEAEHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C(F)(F)F ZINC001449077129 1094091149 /nfs/dbraw/zinc/09/11/49/1094091149.db2.gz JFMSBLLNTDGCAF-UKRRQHHQSA-N 1 3 349.441 2.353 10 0 EEAEHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[N@H+](C)CC[C@H]1CCCCO1 ZINC001440954670 1094208813 /nfs/dbraw/zinc/20/88/13/1094208813.db2.gz NGAXATFHUYDPLB-IAGOWNOFSA-N 1 3 339.524 2.257 10 0 EEAEHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[N@@H+](C)CC[C@H]1CCCCO1 ZINC001440954670 1094208817 /nfs/dbraw/zinc/20/88/17/1094208817.db2.gz NGAXATFHUYDPLB-IAGOWNOFSA-N 1 3 339.524 2.257 10 0 EEAEHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N(C)CCOc1ccccc1 ZINC001440957970 1094212821 /nfs/dbraw/zinc/21/28/21/1094212821.db2.gz UKWQDOCWPQOHIR-KRWDZBQOSA-N 1 3 347.503 2.376 10 0 EEAEHO Cc1ccc(CN[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)c(C)n1 ZINC001441361100 1094880952 /nfs/dbraw/zinc/88/09/52/1094880952.db2.gz SDGLZNGDZDLUEU-IBGZPJMESA-N 1 3 344.503 2.265 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001441382296 1094924835 /nfs/dbraw/zinc/92/48/35/1094924835.db2.gz YXGZJLYMJLNHLB-BQFCYCMXSA-N 1 3 335.467 2.459 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2cc(F)ccc2F)C1 ZINC001441527957 1095233765 /nfs/dbraw/zinc/23/37/65/1095233765.db2.gz ZDHMANLJBZEMGN-IYBDPMFKSA-N 1 3 339.430 2.434 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2cc(F)ccc2F)C1 ZINC001441527957 1095233770 /nfs/dbraw/zinc/23/37/70/1095233770.db2.gz ZDHMANLJBZEMGN-IYBDPMFKSA-N 1 3 339.430 2.434 10 0 EEAEHO C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)NCc1cncc(F)c1 ZINC001441594072 1095430907 /nfs/dbraw/zinc/43/09/07/1095430907.db2.gz QWRPHQDYIZLXNI-AWEZNQCLSA-N 1 3 336.455 2.032 10 0 EEAEHO CC[C@H](C[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1)OC ZINC001441645754 1095585750 /nfs/dbraw/zinc/58/57/50/1095585750.db2.gz NWLIETGGNCOQJS-DLBZAZTESA-N 1 3 339.524 2.257 10 0 EEAEHO CC[C@H](C[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1)OC ZINC001441645754 1095585854 /nfs/dbraw/zinc/58/58/54/1095585854.db2.gz NWLIETGGNCOQJS-DLBZAZTESA-N 1 3 339.524 2.257 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1cc(C)ccc1OC ZINC001441876054 1095994463 /nfs/dbraw/zinc/99/44/63/1095994463.db2.gz YMBMABCETLLGMN-FUHWJXTLSA-N 1 3 347.503 2.472 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1cc(C)ccc1OC ZINC001441876054 1095994471 /nfs/dbraw/zinc/99/44/71/1095994471.db2.gz YMBMABCETLLGMN-FUHWJXTLSA-N 1 3 347.503 2.472 10 0 EEAEHO CC(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C(F)(F)F ZINC001441927587 1096114617 /nfs/dbraw/zinc/11/46/17/1096114617.db2.gz FLMGJVPNLUKMED-UONOGXRCSA-N 1 3 337.430 2.209 10 0 EEAEHO COc1cccc([C@H](C)N(C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001442409724 1096731966 /nfs/dbraw/zinc/73/19/66/1096731966.db2.gz IFWFWAVXXUQBOW-HDMKZQKVSA-N 1 3 333.476 2.144 10 0 EEAEHO COc1cccc([C@H](C)N(C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001442409724 1096731971 /nfs/dbraw/zinc/73/19/71/1096731971.db2.gz IFWFWAVXXUQBOW-HDMKZQKVSA-N 1 3 333.476 2.144 10 0 EEAEHO 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1183679283 /nfs/dbraw/zinc/67/92/83/1183679283.db2.gz GCWGJSQQKKPHDU-CYEDMXMGSA-N 1 3 327.900 2.488 10 0 EEAEHO CN(CCC[NH2+]Cc1ccc(F)cc1F)C(=O)CN(C)C1CCC1 ZINC001268797489 1183713570 /nfs/dbraw/zinc/71/35/70/1183713570.db2.gz PQKKWDWPNNXRSJ-UHFFFAOYSA-N 1 3 339.430 2.387 10 0 EEAEHO CC(C)n1ccc(CNCCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)n1 ZINC001268813047 1183732736 /nfs/dbraw/zinc/73/27/36/1183732736.db2.gz ONLHPNHFVXWYHN-UHFFFAOYSA-N 1 3 349.523 2.277 10 0 EEAEHO Cc1cc(F)ccc1C[NH2+]CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001268848225 1183764232 /nfs/dbraw/zinc/76/42/32/1183764232.db2.gz UOLFISMJSAMXQT-HNNXBMFYSA-N 1 3 335.467 2.414 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)o1 ZINC001269711525 1184543498 /nfs/dbraw/zinc/54/34/98/1184543498.db2.gz KVOOTVLUSHLGKK-DLBZAZTESA-N 1 3 348.491 2.104 10 0 EEAEHO C[C@@H](CNCc1ccnc(Cl)c1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001271092359 1185876687 /nfs/dbraw/zinc/87/66/87/1185876687.db2.gz JWYSTTIGCSUKRA-ZDUSSCGKSA-N 1 3 338.883 2.013 10 0 EEAEHO COc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001482619198 1187439482 /nfs/dbraw/zinc/43/94/82/1187439482.db2.gz OQKMGHVEUNQUNY-CRAIPNDOSA-N 1 3 333.476 2.241 10 0 EEAEHO COc1cccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001482619198 1187439484 /nfs/dbraw/zinc/43/94/84/1187439484.db2.gz OQKMGHVEUNQUNY-CRAIPNDOSA-N 1 3 333.476 2.241 10 0 EEAEHO COc1cccc([C@H](C)N(C)CCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001482628196 1187453356 /nfs/dbraw/zinc/45/33/56/1187453356.db2.gz HZGGWBGGPQRYKM-IRXDYDNUSA-N 1 3 347.503 2.488 10 0 EEAEHO COc1cccc([C@H](C)N(C)CCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001482628196 1187453359 /nfs/dbraw/zinc/45/33/59/1187453359.db2.gz HZGGWBGGPQRYKM-IRXDYDNUSA-N 1 3 347.503 2.488 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)Cc1ccc2ncccc2c1 ZINC001482651529 1187487110 /nfs/dbraw/zinc/48/71/10/1187487110.db2.gz GFRABDFIDBEJFM-UHFFFAOYSA-N 1 3 342.487 2.465 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)Cc1ccc2ncccc2c1 ZINC001482651529 1187487112 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Cc1cccc(CN(C)C[C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001483339869 1190369553 /nfs/dbraw/zinc/36/95/53/1190369553.db2.gz UVQJCPSGZZEJAH-APWZRJJASA-N 1 3 329.488 2.273 10 0 EEAEHO Cc1cccc(CN(C)C[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001483339872 1190370214 /nfs/dbraw/zinc/37/02/14/1190370214.db2.gz UVQJCPSGZZEJAH-VQIMIIECSA-N 1 3 329.488 2.273 10 0 EEAEHO CC(C)[NH+]1CCC(C(=O)N(C)CCCN[C@@H](C)c2cnccn2)CC1 ZINC001483500899 1190516647 /nfs/dbraw/zinc/51/66/47/1190516647.db2.gz DOCZLAPMMMALDZ-INIZCTEOSA-N 1 3 347.507 2.096 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC001483794129 1191033691 /nfs/dbraw/zinc/03/36/91/1191033691.db2.gz DPFHWIGESPKJBW-KRWDZBQOSA-N 1 3 333.451 2.392 10 0 EEAEHO CC[C@H](F)C[N@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001483817019 1191061628 /nfs/dbraw/zinc/06/16/28/1191061628.db2.gz AOKZBAZKSDESBP-HNNXBMFYSA-N 1 3 336.455 2.403 10 0 EEAEHO CC[C@H](F)C[N@@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001483817019 1191061630 /nfs/dbraw/zinc/06/16/30/1191061630.db2.gz AOKZBAZKSDESBP-HNNXBMFYSA-N 1 3 336.455 2.403 10 0 EEAEHO CC(C)OCCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001483916530 1191115428 /nfs/dbraw/zinc/11/54/28/1191115428.db2.gz ADVMJMSQFFKPGX-DLBZAZTESA-N 1 3 327.513 2.111 10 0 EEAEHO Cc1ccc(OCC[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC001483925136 1191118520 /nfs/dbraw/zinc/11/85/20/1191118520.db2.gz OIXXXWFYHDWSQB-IEBWSBKVSA-N 1 3 345.487 2.049 10 0 EEAEHO COCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001484395318 1191329692 /nfs/dbraw/zinc/32/96/92/1191329692.db2.gz VTUSLGQFUXQTFS-BZSNNMDCSA-N 1 3 339.524 2.018 10 0 EEAEHO Cc1cccnc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001484550307 1191409850 /nfs/dbraw/zinc/40/98/50/1191409850.db2.gz RNYYYXZZZMBYFF-IEBWSBKVSA-N 1 3 346.519 2.304 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1CC2(C1)CCN(Cc1ocnc1C)CC2 ZINC001484580992 1191425759 /nfs/dbraw/zinc/42/57/59/1191425759.db2.gz AJFKSUFCMYOPIK-UHFFFAOYSA-N 1 3 348.491 2.139 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(Cc1ocnc1C)CC2 ZINC001484580992 1191425761 /nfs/dbraw/zinc/42/57/61/1191425761.db2.gz AJFKSUFCMYOPIK-UHFFFAOYSA-N 1 3 348.491 2.139 10 0 EEAEHO Cc1cccnc1CN[C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001486239669 1193766275 /nfs/dbraw/zinc/76/62/75/1193766275.db2.gz DSULGWYRYLNKAJ-QGZVFWFLSA-N 1 3 332.492 2.058 10 0 EEAEHO CN(C[C@H]1CCN1CCCCCF)C(=O)CC1CC[NH+](C)CC1 ZINC001691666250 1194305099 /nfs/dbraw/zinc/30/50/99/1194305099.db2.gz UMFHNYJKYJCFEG-QGZVFWFLSA-N 1 3 327.488 2.391 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1nc(C)c(C)s1)N(C)C ZINC001273018324 1194325438 /nfs/dbraw/zinc/32/54/38/1194325438.db2.gz JJVKIKZIGCWATJ-FZMZJTMJSA-N 1 3 326.510 2.085 10 0 EEAEHO C[C@H](F)CC[N@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001410257045 1197641017 /nfs/dbraw/zinc/64/10/17/1197641017.db2.gz VYVYJULUHHLCFP-INIZCTEOSA-N 1 3 327.488 2.389 10 0 EEAEHO C[C@H](F)CC[N@@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001410257045 1197641018 /nfs/dbraw/zinc/64/10/18/1197641018.db2.gz VYVYJULUHHLCFP-INIZCTEOSA-N 1 3 327.488 2.389 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)NCc2cnccc2C)C1 ZINC001410433186 1197877805 /nfs/dbraw/zinc/87/78/05/1197877805.db2.gz YPFJJTRIKYUXQX-MSOLQXFVSA-N 1 3 346.519 2.449 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)NCc2cnccc2C)C1 ZINC001410433186 1197877814 /nfs/dbraw/zinc/87/78/14/1197877814.db2.gz YPFJJTRIKYUXQX-MSOLQXFVSA-N 1 3 346.519 2.449 10 0 EEAEHO C[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000810133179 1199290771 /nfs/dbraw/zinc/29/07/71/1199290771.db2.gz CWETTWNDIVMZGY-IIDMSEBBSA-N 1 3 327.488 2.436 10 0 EEAEHO C[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000810133179 1199290778 /nfs/dbraw/zinc/29/07/78/1199290778.db2.gz CWETTWNDIVMZGY-IIDMSEBBSA-N 1 3 327.488 2.436 10 0 EEAEHO Cc1ccc(CN2CCO[C@H](CN[C@H]3CC[N@H+](C)[C@H](C)C3)C2)cc1 ZINC000866558806 1201548335 /nfs/dbraw/zinc/54/83/35/1201548335.db2.gz VINYROXBWWOYIT-YZGWKJHDSA-N 1 3 331.504 2.268 10 0 EEAEHO Cc1ccc(CN2CCO[C@H](CN[C@H]3CC[N@@H+](C)[C@H](C)C3)C2)cc1 ZINC000866558806 1201548338 /nfs/dbraw/zinc/54/83/38/1201548338.db2.gz VINYROXBWWOYIT-YZGWKJHDSA-N 1 3 331.504 2.268 10 0 EEAEHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000866711264 1201587160 /nfs/dbraw/zinc/58/71/60/1201587160.db2.gz GNYPRAURCWITHP-DDBAPUKQSA-N 1 3 345.418 2.070 10 0 EEAEHO CCCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C(F)(F)F ZINC001279182875 1204337815 /nfs/dbraw/zinc/33/78/15/1204337815.db2.gz ZKMHUXYNZAPQPK-UONOGXRCSA-N 1 3 337.430 2.497 10 0 EEAEHO CN(C)C1(C(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCC1 ZINC001411991971 1205618041 /nfs/dbraw/zinc/61/80/41/1205618041.db2.gz ZRYCLEPPBSMDGL-UHFFFAOYSA-N 1 3 345.487 2.456 10 0 EEAEHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)C12CCC2 ZINC000925552376 1206127055 /nfs/dbraw/zinc/12/70/55/1206127055.db2.gz JYVIYOWJTGYBAU-RCCFBDPRSA-N 1 3 327.472 2.080 10 0 EEAEHO C[C@@H]1CN(C[C@H]2CCCC3(CCC3)O2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000930136950 1206536941 /nfs/dbraw/zinc/53/69/41/1206536941.db2.gz PUXPFAMKQOJGJD-QRVBRYPASA-N 1 3 335.536 2.436 10 0 EEAEHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc3cc[nH]c3c1)C2 ZINC000930601658 1206569669 /nfs/dbraw/zinc/56/96/69/1206569669.db2.gz JRUCEVDYHKKFBH-FXAWDEMLSA-N 1 3 343.471 2.325 10 0 EEAEHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc3cc[nH]c3c1)C2 ZINC000930601658 1206569670 /nfs/dbraw/zinc/56/96/70/1206569670.db2.gz JRUCEVDYHKKFBH-FXAWDEMLSA-N 1 3 343.471 2.325 10 0 EEAEHO c1ccc(-c2nnn(CCCCC[NH2+][C@@H]3CCNC34CCC4)n2)cc1 ZINC000903470852 1240573737 /nfs/dbraw/zinc/57/37/37/1240573737.db2.gz OFIFLPHPBCECLI-QGZVFWFLSA-N 1 3 340.475 2.385 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CNCc2ccc(OC(C)C)cc2)cnn1C ZINC000903922992 1242515545 /nfs/dbraw/zinc/51/55/45/1242515545.db2.gz IYIYMVHORQEWIV-QGZVFWFLSA-N 1 3 330.476 2.423 10 0 EEAEHO Cc1c(C[C@H](CN)C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)cnn1C ZINC000903947611 1242658446 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C[C@H](CN1CCOCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180108537 464244893 /nfs/dbraw/zinc/24/48/93/464244893.db2.gz MPAWOJQYDKOIMT-LBFURVHYSA-N 1 3 343.515 2.492 10 0 EEAEHO C[C@H](CN1CCOCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180108537 464244897 /nfs/dbraw/zinc/24/48/97/464244897.db2.gz MPAWOJQYDKOIMT-LBFURVHYSA-N 1 3 343.515 2.492 10 0 EEAEHO [NH3+][C@H](CCC(=O)NCCCNCc1cccnc1)c1ccccc1 ZINC000237918478 464404299 /nfs/dbraw/zinc/40/42/99/464404299.db2.gz XQEIWCMLYUYUIE-GOSISDBHSA-N 1 3 326.444 2.158 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)COCc2cccs2)[C@H](C)C1 ZINC000246436596 464584805 /nfs/dbraw/zinc/58/48/05/464584805.db2.gz CXHOFZQDBHIZDB-INMHGKMJSA-N 1 3 326.506 2.288 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)COCc2cccs2)[C@H](C)C1 ZINC000246436596 464584810 /nfs/dbraw/zinc/58/48/10/464584810.db2.gz CXHOFZQDBHIZDB-INMHGKMJSA-N 1 3 326.506 2.288 10 0 EEAEHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000246528432 464596539 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2.337 10 0 EEAEHO C[C@@H]1C[N@H+](CCOc2ccc(F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000372334305 466309607 /nfs/dbraw/zinc/30/96/07/466309607.db2.gz UWPTWFVKVZCRLT-VQIMIIECSA-N 1 3 335.467 2.162 10 0 EEAEHO C[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000372334305 466309615 /nfs/dbraw/zinc/30/96/15/466309615.db2.gz UWPTWFVKVZCRLT-VQIMIIECSA-N 1 3 335.467 2.162 10 0 EEAEHO C[C@H]1C[N@H+](CCOc2ccc(F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000372334303 466310035 /nfs/dbraw/zinc/31/00/35/466310035.db2.gz UWPTWFVKVZCRLT-LPHOPBHVSA-N 1 3 335.467 2.162 10 0 EEAEHO C[C@H]1C[N@@H+](CCOc2ccc(F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000372334303 466310039 /nfs/dbraw/zinc/31/00/39/466310039.db2.gz UWPTWFVKVZCRLT-LPHOPBHVSA-N 1 3 335.467 2.162 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000305232682 466387306 /nfs/dbraw/zinc/38/73/06/466387306.db2.gz ZDVBBQSANUMODP-GOSISDBHSA-N 1 3 331.504 2.423 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000305232682 466387313 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COc1ccc([C@H](N[C@H]2CNCCC2(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000423468406 466754019 /nfs/dbraw/zinc/75/40/19/466754019.db2.gz BXAOMUAXVRFGGY-PMPSAXMXSA-N 1 3 325.403 2.075 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417200920 466800545 /nfs/dbraw/zinc/80/05/45/466800545.db2.gz VDXHCKZEIHVXNE-OALUTQOASA-N 1 3 346.519 2.366 10 0 EEAEHO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000668477179 472140054 /nfs/dbraw/zinc/14/00/54/472140054.db2.gz WXLNXUGHRMRTGW-ATZDWAIDSA-N 1 3 333.476 2.206 10 0 EEAEHO C[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)N(C)Cc1ccccc1 ZINC000417588217 466888660 /nfs/dbraw/zinc/88/86/60/466888660.db2.gz OSONSROYJKPUKK-QRQLOZEOSA-N 1 3 344.503 2.148 10 0 EEAEHO C[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N(C)Cc1ccccc1 ZINC000417590443 466889206 /nfs/dbraw/zinc/88/92/06/466889206.db2.gz RFRQZTILDIBXGY-YLJYHZDGSA-N 1 3 344.503 2.292 10 0 EEAEHO C[C@@H](C[NH3+])N(C)C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417692370 466909924 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N[C@@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccccc1 ZINC000429112779 467301629 /nfs/dbraw/zinc/30/16/29/467301629.db2.gz JGBAHWVGNXMFCV-SFHVURJKSA-N 1 3 336.439 2.420 10 0 EEAEHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCCC1 ZINC000414058825 467371153 /nfs/dbraw/zinc/37/11/53/467371153.db2.gz HWXLAJLNJBAMHQ-CYBMUJFWSA-N 1 3 342.281 2.075 10 0 EEAEHO CN1CC[C@](O)(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449245292 467625728 /nfs/dbraw/zinc/62/57/28/467625728.db2.gz ZVJOKPGXONSXQV-IBGZPJMESA-N 1 3 325.541 2.322 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000515143568 467975987 /nfs/dbraw/zinc/97/59/87/467975987.db2.gz KYLSCDRBRCFMAY-NEPXVJNWSA-N 1 3 344.503 2.194 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000531204639 468035988 /nfs/dbraw/zinc/03/59/88/468035988.db2.gz LKWOWJZEAUDEPB-GOSISDBHSA-N 1 3 342.487 2.303 10 0 EEAEHO C[NH2+]CCOCCN[C@H](C)c1ccc(I)cc1 ZINC000600708408 468628247 /nfs/dbraw/zinc/62/82/47/468628247.db2.gz COYASSXJBVOPPW-LLVKDONJSA-N 1 3 348.228 2.178 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])[C@@H]1c1ccccc1 ZINC000571538482 468804509 /nfs/dbraw/zinc/80/45/09/468804509.db2.gz AGBUPHBVDQSXAG-MHORFTMASA-N 1 3 330.476 2.249 10 0 EEAEHO COC(=O)c1cc(C2CCN(CCCC3CC[NH2+]CC3)CC2)no1 ZINC000601331839 468829927 /nfs/dbraw/zinc/82/99/27/468829927.db2.gz HOPGYYPKQZKESF-UHFFFAOYSA-N 1 3 335.448 2.420 10 0 EEAEHO CN(C)CC[N@H+](C)CCCNCc1ccsc1Br ZINC000623576213 469698611 /nfs/dbraw/zinc/69/86/11/469698611.db2.gz LIWIPKAQWNVMGQ-UHFFFAOYSA-N 1 3 334.327 2.484 10 0 EEAEHO CN(C)CC[N@@H+](C)CCCNCc1ccsc1Br ZINC000623576213 469698613 /nfs/dbraw/zinc/69/86/13/469698613.db2.gz LIWIPKAQWNVMGQ-UHFFFAOYSA-N 1 3 334.327 2.484 10 0 EEAEHO CN(CCCNCc1ccsc1Br)CC[NH+](C)C ZINC000623576213 469698617 /nfs/dbraw/zinc/69/86/17/469698617.db2.gz LIWIPKAQWNVMGQ-UHFFFAOYSA-N 1 3 334.327 2.484 10 0 EEAEHO CC(C)c1ncsc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503696 469700849 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C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ncoc1-c1ccccc1 ZINC000617505658 469704331 /nfs/dbraw/zinc/70/43/31/469704331.db2.gz LUWFHNAROXTDKP-HNNXBMFYSA-N 1 3 344.459 2.343 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ncoc1-c1ccccc1 ZINC000617505658 469704336 /nfs/dbraw/zinc/70/43/36/469704336.db2.gz LUWFHNAROXTDKP-HNNXBMFYSA-N 1 3 344.459 2.343 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc2cnccc21 ZINC000617505793 469704469 /nfs/dbraw/zinc/70/44/69/469704469.db2.gz QFHVQENOPAEFTJ-HNNXBMFYSA-N 1 3 328.460 2.237 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc2cnccc21 ZINC000617505793 469704471 /nfs/dbraw/zinc/70/44/71/469704471.db2.gz QFHVQENOPAEFTJ-HNNXBMFYSA-N 1 3 328.460 2.237 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000626998155 469783547 /nfs/dbraw/zinc/78/35/47/469783547.db2.gz IIWXXDXUGOQFLX-XOYOTBSWSA-N 1 3 330.476 2.089 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000627170772 469832605 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10 0 EEAEHO CC(C)C[N@H+](C)CCCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000651195961 471085813 /nfs/dbraw/zinc/08/58/13/471085813.db2.gz HEQCCXIHDMTAOD-QGZVFWFLSA-N 1 3 338.540 2.480 10 0 EEAEHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000651195961 471085820 /nfs/dbraw/zinc/08/58/20/471085820.db2.gz HEQCCXIHDMTAOD-QGZVFWFLSA-N 1 3 338.540 2.480 10 0 EEAEHO [NH3+]CC1(CCNC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000652128201 471240770 /nfs/dbraw/zinc/24/07/70/471240770.db2.gz RWCASXNBGRZSHD-QGZVFWFLSA-N 1 3 330.476 2.252 10 0 EEAEHO C[C@H]1CN(Cc2nc3c(s2)CNCC3)c2cc(F)ccc2C[NH2+]1 ZINC000663494111 471400122 /nfs/dbraw/zinc/40/01/22/471400122.db2.gz MPCHSLRJVMBYDD-NSHDSACASA-N 1 3 332.448 2.426 10 0 EEAEHO C[NH2+]CCCC(=O)N1CCC(NCc2cc(F)c(F)c(F)c2)CC1 ZINC000663502803 471402941 /nfs/dbraw/zinc/40/29/41/471402941.db2.gz BMHOGJNSDLZPKL-UHFFFAOYSA-N 1 3 343.393 2.184 10 0 EEAEHO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CS1 ZINC000655730898 471460605 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C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000663813652 471530537 /nfs/dbraw/zinc/53/05/37/471530537.db2.gz WNIDCZKJSBHPQY-CGTJXYLNSA-N 1 3 332.492 2.114 10 0 EEAEHO CCC[N@@H+]1CC[C@@H](NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000666925086 471591058 /nfs/dbraw/zinc/59/10/58/471591058.db2.gz RADWIKJMFFRGSH-RTBURBONSA-N 1 3 344.503 2.387 10 0 EEAEHO CCC[N@H+]1CC[C@@H](NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000666925086 471591066 /nfs/dbraw/zinc/59/10/66/471591066.db2.gz RADWIKJMFFRGSH-RTBURBONSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000664216771 471681509 /nfs/dbraw/zinc/68/15/09/471681509.db2.gz AQFNVYBXPPIGTH-ILZDJORESA-N 1 3 346.519 2.288 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000664216771 471681512 /nfs/dbraw/zinc/68/15/12/471681512.db2.gz AQFNVYBXPPIGTH-ILZDJORESA-N 1 3 346.519 2.288 10 0 EEAEHO CCCN1CC[C@@H](NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1 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CC(C)N(C)CC(=O)NCC[C@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001481462217 1181459268 /nfs/dbraw/zinc/45/92/68/1181459268.db2.gz RIQZTOYSKRVDPK-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001481462217 1181459273 /nfs/dbraw/zinc/45/92/73/1181459273.db2.gz RIQZTOYSKRVDPK-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CO[C@H](C)CN1CC[C@H](N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001481732593 1182414169 /nfs/dbraw/zinc/41/41/69/1182414169.db2.gz RIXBWXGQAFQYBC-WBVHZDCISA-N 1 3 339.524 2.207 10 0 EEAEHO CO[C@H](C)CN1CC[C@H](N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001481732593 1182414172 /nfs/dbraw/zinc/41/41/72/1182414172.db2.gz RIXBWXGQAFQYBC-WBVHZDCISA-N 1 3 339.524 2.207 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCF)C1 ZINC001481986334 1183089618 /nfs/dbraw/zinc/08/96/18/1183089618.db2.gz MQYHHRJJRVXYCW-DLBZAZTESA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC/C=C/C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001268620438 1183538370 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Cc1ncccc1C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001269756005 1184588930 /nfs/dbraw/zinc/58/89/30/1184588930.db2.gz SLDRIAQLNFWIFA-IEBWSBKVSA-N 1 3 344.503 2.203 10 0 EEAEHO CC[C@H](C(=O)N1CCC2(CC[N@H+](CCCCOC)C2)CC1)N(C)C ZINC001270329202 1185020429 /nfs/dbraw/zinc/02/04/29/1185020429.db2.gz PPQXXPUPAGRCPP-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO CC[C@H](C(=O)N1CCC2(CC[N@@H+](CCCCOC)C2)CC1)N(C)C ZINC001270329202 1185020434 /nfs/dbraw/zinc/02/04/34/1185020434.db2.gz PPQXXPUPAGRCPP-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO C[C@]1(C[NH2+]CCCc2ccccc2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001270805157 1185404490 /nfs/dbraw/zinc/40/44/90/1185404490.db2.gz HPOXWYBFDUQVRL-HXUWFJFHSA-N 1 3 340.471 2.413 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@H](CNCc1cccnc1)C1CCCCC1 ZINC001482409294 1185636964 /nfs/dbraw/zinc/63/69/64/1185636964.db2.gz KYSQMPKNECMUAL-GOSISDBHSA-N 1 3 332.492 2.188 10 0 EEAEHO CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1cccnc1)N(C)C ZINC001482457225 1185891361 /nfs/dbraw/zinc/89/13/61/1185891361.db2.gz SYDXBDNHOIZBJM-ROUUACIJSA-N 1 3 332.492 2.283 10 0 EEAEHO CC(C)[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cncs1 ZINC001482553038 1186697968 /nfs/dbraw/zinc/69/79/68/1186697968.db2.gz JROFYTIRVBKDPJ-HNNXBMFYSA-N 1 3 340.537 2.351 10 0 EEAEHO C[C@H](CC[NH2+]CC1CCC1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001482875531 1187795016 /nfs/dbraw/zinc/79/50/16/1187795016.db2.gz USAMOQZANVIQML-KDOFPFPSSA-N 1 3 327.488 2.483 10 0 EEAEHO Cc1ncccc1CNC/C=C/CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001483096833 1188471163 /nfs/dbraw/zinc/47/11/63/1188471163.db2.gz FKHQOZSGISZZJM-FZZYSBJUSA-N 1 3 330.476 2.025 10 0 EEAEHO C[C@@H](C[NH2+]CC[C@H]1CCCCO1)NC(=O)CN(C)CC(C)(C)C ZINC001483266954 1190291907 /nfs/dbraw/zinc/29/19/07/1190291907.db2.gz XTYRFCJAGSUEIO-JKSUJKDBSA-N 1 3 327.513 2.018 10 0 EEAEHO Cc1ccncc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001483272119 1190296394 /nfs/dbraw/zinc/29/63/94/1190296394.db2.gz KROHIGFAWAQGEU-FUHWJXTLSA-N 1 3 332.492 2.247 10 0 EEAEHO CC[C@H](C[NH2+]CCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)OC ZINC001483492541 1190510077 /nfs/dbraw/zinc/51/00/77/1190510077.db2.gz FNZLYEHUCULYNO-CRAIPNDOSA-N 1 3 345.503 2.062 10 0 EEAEHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]Cc1cnc(C)o1 ZINC001483621353 1190604827 /nfs/dbraw/zinc/60/48/27/1190604827.db2.gz GXLNGCBDWCBONV-WBVHZDCISA-N 1 3 336.480 2.040 10 0 EEAEHO CO[C@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001409819971 1190651860 /nfs/dbraw/zinc/65/18/60/1190651860.db2.gz AXBIIZDNURQAQN-IAGOWNOFSA-N 1 3 339.524 2.257 10 0 EEAEHO CO[C@H](C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001409819971 1190651863 /nfs/dbraw/zinc/65/18/63/1190651863.db2.gz AXBIIZDNURQAQN-IAGOWNOFSA-N 1 3 339.524 2.257 10 0 EEAEHO C[NH+](C)CCCC(=O)N[C@@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001486147589 1193698127 /nfs/dbraw/zinc/69/81/27/1193698127.db2.gz KFDYRVBMXWQBLT-IEBWSBKVSA-N 1 3 330.476 2.037 10 0 EEAEHO CCC1([NH2+]C[C@H]2CCCCO2)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001484809185 1191532070 /nfs/dbraw/zinc/53/20/70/1191532070.db2.gz CGIKQYSHIIWVCX-SJORKVTESA-N 1 3 337.508 2.011 10 0 EEAEHO C[NH+](C)CCC(=O)NC[C@@H]1Cc2ccccc2CN1CCC1CC1 ZINC001484825960 1191544104 /nfs/dbraw/zinc/54/41/04/1191544104.db2.gz YWGDTBIOMMBXJQ-IBGZPJMESA-N 1 3 329.488 2.281 10 0 EEAEHO CC[C@@H](C[NH2+]C1(C)CCN(C(=O)CN(C)CC(C)(C)C)CC1)OC ZINC001484923152 1191576426 /nfs/dbraw/zinc/57/64/26/1191576426.db2.gz GBEUJGAKZPBHLD-INIZCTEOSA-N 1 3 341.540 2.360 10 0 EEAEHO Cc1ncccc1CN1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001485482901 1191799652 /nfs/dbraw/zinc/79/96/52/1191799652.db2.gz SSASJOVSVAWNRP-GOSISDBHSA-N 1 3 332.492 2.203 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)NCc2cnccc2C)C1 ZINC001410433195 1197878605 /nfs/dbraw/zinc/87/86/05/1197878605.db2.gz YPFJJTRIKYUXQX-QZTJIDSGSA-N 1 3 346.519 2.449 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)NCc2cnccc2C)C1 ZINC001410433195 1197878613 /nfs/dbraw/zinc/87/86/13/1197878613.db2.gz YPFJJTRIKYUXQX-QZTJIDSGSA-N 1 3 346.519 2.449 10 0 EEAEHO CCN(CC[NH2+]CCOC1CCCCCC1)C(=O)[C@@H]1CCCN1C ZINC001273298685 1197987239 /nfs/dbraw/zinc/98/72/39/1197987239.db2.gz UXXWFAYDXHKPHE-SFHVURJKSA-N 1 3 339.524 2.258 10 0 EEAEHO CCN(CC[NH2+]CCOC1CCCCCC1)C(=O)[C@H]1CCCN1C ZINC001273298683 1197987441 /nfs/dbraw/zinc/98/74/41/1197987441.db2.gz UXXWFAYDXHKPHE-GOSISDBHSA-N 1 3 339.524 2.258 10 0 EEAEHO Cc1ccc(NC(=O)NC(=O)CN(C)CCCCCC[NH3+])c(C)c1 ZINC000872155612 1198061243 /nfs/dbraw/zinc/06/12/43/1198061243.db2.gz WNSOKWVWHNXQCZ-UHFFFAOYSA-N 1 3 334.464 2.402 10 0 EEAEHO CCN(CCNCc1cncs1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001273373776 1198386592 /nfs/dbraw/zinc/38/65/92/1198386592.db2.gz DNKPILOBYNGQFN-UHFFFAOYSA-N 1 3 338.521 2.346 10 0 EEAEHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870908376 1200945555 /nfs/dbraw/zinc/94/55/55/1200945555.db2.gz IECWLYGSVJNIRM-UHFFFAOYSA-N 1 3 333.451 2.248 10 0 EEAEHO C[N@@H+]1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CCC1(C)C ZINC000871153733 1201073855 /nfs/dbraw/zinc/07/38/55/1201073855.db2.gz TVCUPOCGVBHRLA-SFHVURJKSA-N 1 3 344.503 2.236 10 0 EEAEHO C[N@H+]1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CCC1(C)C ZINC000871153733 1201073858 /nfs/dbraw/zinc/07/38/58/1201073858.db2.gz TVCUPOCGVBHRLA-SFHVURJKSA-N 1 3 344.503 2.236 10 0 EEAEHO COCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001671091869 1202395361 /nfs/dbraw/zinc/39/53/61/1202395361.db2.gz XLMUCTZPZPYMKS-LJQANCHMSA-N 1 3 339.524 2.068 10 0 EEAEHO COCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001671091869 1202395362 /nfs/dbraw/zinc/39/53/62/1202395362.db2.gz XLMUCTZPZPYMKS-LJQANCHMSA-N 1 3 339.524 2.068 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC/C=C\CNCc2ccc(Cl)cc2)C1 ZINC001274498857 1205058427 /nfs/dbraw/zinc/05/84/27/1205058427.db2.gz RDMWVHGFZNSOCC-RXYHWBRQSA-N 1 3 335.879 2.444 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC/C=C\CNCc2ccc(Cl)cc2)C1 ZINC001274498857 1205058431 /nfs/dbraw/zinc/05/84/31/1205058431.db2.gz RDMWVHGFZNSOCC-RXYHWBRQSA-N 1 3 335.879 2.444 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC[C@@H]1CCCCO1 ZINC001274610219 1205097304 /nfs/dbraw/zinc/09/73/04/1205097304.db2.gz MXGJWAYZGUDMGM-HQYUYXFKSA-N 1 3 337.508 2.082 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCOc1ccc(C)cc1 ZINC001275460065 1205370946 /nfs/dbraw/zinc/37/09/46/1205370946.db2.gz YYFJLNCLPHSABC-PKOBYXMFSA-N 1 3 347.503 2.343 10 0 EEAEHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000925316354 1206095776 /nfs/dbraw/zinc/09/57/76/1206095776.db2.gz ZAWFUXIAFRHEMN-HKUYNNGSSA-N 1 3 344.503 2.305 10 0 EEAEHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000925316354 1206095779 /nfs/dbraw/zinc/09/57/79/1206095779.db2.gz ZAWFUXIAFRHEMN-HKUYNNGSSA-N 1 3 344.503 2.305 10 0 EEAEHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925321574 1206096429 /nfs/dbraw/zinc/09/64/29/1206096429.db2.gz NDTBZPKOUZJSEZ-QAPCUYQASA-N 1 3 332.492 2.372 10 0 EEAEHO C[C@H]1[C@@H](NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CC[N@@H+]1C ZINC000925343655 1206100305 /nfs/dbraw/zinc/10/03/05/1206100305.db2.gz WPLKNFJUXIIWEQ-AOIWGVFYSA-N 1 3 344.503 2.243 10 0 EEAEHO C[C@H]1[C@@H](NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CC[N@H+]1C ZINC000925343655 1206100306 /nfs/dbraw/zinc/10/03/06/1206100306.db2.gz WPLKNFJUXIIWEQ-AOIWGVFYSA-N 1 3 344.503 2.243 10 0 EEAEHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)c(F)c(F)c1 ZINC000925857437 1206161981 /nfs/dbraw/zinc/16/19/81/1206161981.db2.gz VHAPJVTXPVOHLJ-ZYHUDNBSSA-N 1 3 342.361 2.440 10 0 EEAEHO O=C1O[C@H](CN[C@H]2CCCOc3cc(F)ccc32)CC12CC[NH2+]CC2 ZINC000925859995 1206162528 /nfs/dbraw/zinc/16/25/28/1206162528.db2.gz YJABAXXLKXCTJK-HOCLYGCPSA-N 1 3 348.418 2.314 10 0 EEAEHO CN(C)C(=O)CCN1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000931215513 1206616510 /nfs/dbraw/zinc/61/65/10/1206616510.db2.gz ZKRANEJNLBRMIY-WOJBJXKFSA-N 1 3 329.488 2.309 10 0 EEAEHO CCNc1ccc(C)cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001413265563 1235098853 /nfs/dbraw/zinc/09/88/53/1235098853.db2.gz CEVQZRISTDVBDC-INIZCTEOSA-N 1 3 334.508 2.429 10 0 EEAEHO CCNc1ccc(C)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001413265563 1235098855 /nfs/dbraw/zinc/09/88/55/1235098855.db2.gz CEVQZRISTDVBDC-INIZCTEOSA-N 1 3 334.508 2.429 10 0 EEAEHO CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000901128481 1235257627 /nfs/dbraw/zinc/25/76/27/1235257627.db2.gz XQGUOCCYWGKDIZ-HKUYNNGSSA-N 1 3 345.487 2.299 10 0 EEAEHO CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000901128481 1235257629 /nfs/dbraw/zinc/25/76/29/1235257629.db2.gz XQGUOCCYWGKDIZ-HKUYNNGSSA-N 1 3 345.487 2.299 10 0 EEAEHO CCN1CCN(CCC[NH2+][C@@H](C)[C@@H]2COc3ccccc3C2)CC1 ZINC000902745452 1238381397 /nfs/dbraw/zinc/38/13/97/1238381397.db2.gz OJMXALAETQPMAV-HKUYNNGSSA-N 1 3 331.504 2.243 10 0 EEAEHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000903491086 1240648560 /nfs/dbraw/zinc/64/85/60/1240648560.db2.gz UVUGAYYVFQWIFC-KKUMJFAQSA-N 1 3 346.368 2.284 10 0 EEAEHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000903491086 1240648566 /nfs/dbraw/zinc/64/85/66/1240648566.db2.gz UVUGAYYVFQWIFC-KKUMJFAQSA-N 1 3 346.368 2.284 10 0 EEAEHO Fc1ccccc1OCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510807 1240739531 /nfs/dbraw/zinc/73/95/31/1240739531.db2.gz KTQOTXZSINPSLW-CALCHBBNSA-N 1 3 333.451 2.105 10 0 EEAEHO Fc1ccccc1OCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510807 1240739534 /nfs/dbraw/zinc/73/95/34/1240739534.db2.gz KTQOTXZSINPSLW-CALCHBBNSA-N 1 3 333.451 2.105 10 0 EEAEHO Fc1ccccc1OCCN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510807 1240739539 /nfs/dbraw/zinc/73/95/39/1240739539.db2.gz KTQOTXZSINPSLW-CALCHBBNSA-N 1 3 333.451 2.105 10 0 EEAEHO Cc1c(C[C@H](CN)C[NH2+]CCc2ccc(F)cc2Cl)cnn1C ZINC000903920063 1242497543 /nfs/dbraw/zinc/49/75/43/1242497543.db2.gz GYASEJDZRLJXOH-CYBMUJFWSA-N 1 3 338.858 2.471 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC001491083888 1258650080 /nfs/dbraw/zinc/65/00/80/1258650080.db2.gz XWTYMGCWIIGXIJ-ZIFCJYIRSA-N 1 3 345.487 2.177 10 0 EEAEHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001491477230 1259127798 /nfs/dbraw/zinc/12/77/98/1259127798.db2.gz HCNKXHIZHTTWMQ-KGLIPLIRSA-N 1 3 331.451 2.391 10 0 EEAEHO CCN(CCNCc1cncs1)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001273644641 1282111720 /nfs/dbraw/zinc/11/17/20/1282111720.db2.gz AROBDFXMSZLHLS-MRXNPFEDSA-N 1 3 338.521 2.344 10 0 EEAEHO CCN(CCNCc1cncs1)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001273644641 1282111730 /nfs/dbraw/zinc/11/17/30/1282111730.db2.gz AROBDFXMSZLHLS-MRXNPFEDSA-N 1 3 338.521 2.344 10 0 EEAEHO CC(C)Oc1cccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)c1 ZINC001273910342 1289776127 /nfs/dbraw/zinc/77/61/27/1289776127.db2.gz PGIWGBKEZGMVLL-PHWHVTFISA-N 1 3 345.487 2.330 10 0 EEAEHO CCOCCN1CCC(N(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001490422769 1291334670 /nfs/dbraw/zinc/33/46/70/1291334670.db2.gz SLPVHUOPWOUMQC-FUHWJXTLSA-N 1 3 339.524 2.066 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccnc1Cl ZINC000853822348 1292473137 /nfs/dbraw/zinc/47/31/37/1292473137.db2.gz LXNKYSLIMLMYQM-LBPRGKRZSA-N 1 3 327.860 2.129 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccnc1Cl ZINC000853822348 1292473143 /nfs/dbraw/zinc/47/31/43/1292473143.db2.gz LXNKYSLIMLMYQM-LBPRGKRZSA-N 1 3 327.860 2.129 10 0 EEAEHO CC[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3cnc(C)n3C)C2)ccn1 ZINC000856548711 1293562441 /nfs/dbraw/zinc/56/24/41/1293562441.db2.gz HGXZHWYVOKBBEH-IBGZPJMESA-N 1 3 343.475 2.229 10 0 EEAEHO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3cnc(C)n3C)C2)ccn1 ZINC000856548711 1293562447 /nfs/dbraw/zinc/56/24/47/1293562447.db2.gz HGXZHWYVOKBBEH-IBGZPJMESA-N 1 3 343.475 2.229 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCCOC)C2 ZINC001277473557 1303560407 /nfs/dbraw/zinc/56/04/07/1303560407.db2.gz GFHGUGSLTCIDCK-IBGZPJMESA-N 1 3 339.524 2.069 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCCOC)C2 ZINC001277473557 1303560410 /nfs/dbraw/zinc/56/04/10/1303560410.db2.gz GFHGUGSLTCIDCK-IBGZPJMESA-N 1 3 339.524 2.069 10 0 EEAEHO COc1ccc(NC(=O)[C@@H]2CCCN2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000842472324 1315711757 /nfs/dbraw/zinc/71/17/57/1315711757.db2.gz WKDHRAHTAGSVFT-YJBOKZPZSA-N 1 3 331.460 2.488 10 0 EEAEHO CCN(C/C=C/Cl)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001265119853 1322930496 /nfs/dbraw/zinc/93/04/96/1322930496.db2.gz SHEVRQAHPZZIRG-WEVVVXLNSA-N 1 3 327.900 2.443 10 0 EEAEHO Cc1ncccc1CN(C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001265902330 1323471534 /nfs/dbraw/zinc/47/15/34/1323471534.db2.gz MMAKJMKNFCLIKG-UHFFFAOYSA-N 1 3 332.492 2.203 10 0 EEAEHO C[C@@H](C(=O)N(CCO)CC[NH2+]CCC(C)(C)C)N1CCCCCC1 ZINC001279848911 1324013099 /nfs/dbraw/zinc/01/30/99/1324013099.db2.gz VTKLJYRXZWWVLL-KRWDZBQOSA-N 1 3 341.540 2.098 10 0 EEAEHO C[C@H]1C[C@@H]([NH2+]CCCOc2ccccc2)CN1C(=O)Cc1c[nH]cn1 ZINC001284015054 1326363544 /nfs/dbraw/zinc/36/35/44/1326363544.db2.gz RIZLXUNUWBTUGQ-DOTOQJQBSA-N 1 3 342.443 2.000 10 0 EEAEHO CC(C)=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001284520229 1326596047 /nfs/dbraw/zinc/59/60/47/1326596047.db2.gz PUUZHSNMHREWOX-IBGZPJMESA-N 1 3 347.503 2.079 10 0 EEAEHO CC(C)=CC[N@H+](C)C[C@H](O)CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001284520229 1326596049 /nfs/dbraw/zinc/59/60/49/1326596049.db2.gz PUUZHSNMHREWOX-IBGZPJMESA-N 1 3 347.503 2.079 10 0 EEAEHO CC(C)=CCN(C)CCN(C(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001284553520 1326608227 /nfs/dbraw/zinc/60/82/27/1326608227.db2.gz OENZVGNGYDERFQ-UHFFFAOYSA-N 1 3 339.524 2.232 10 0 EEAEHO CCOCC[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001491896138 1330294215 /nfs/dbraw/zinc/29/42/15/1330294215.db2.gz KJIRBPGVWHJFAB-OALUTQOASA-N 1 3 347.503 2.415 10 0 EEAEHO Cc1nocc1CNCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001320448611 1332886162 /nfs/dbraw/zinc/88/61/62/1332886162.db2.gz WMOZKYQDLSTLPR-KBXCAEBGSA-N 1 3 348.491 2.374 10 0 EEAEHO Cc1nocc1CNCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001320448611 1332886166 /nfs/dbraw/zinc/88/61/66/1332886166.db2.gz WMOZKYQDLSTLPR-KBXCAEBGSA-N 1 3 348.491 2.374 10 0 EEAEHO CCN(CC[NH2+]CC[C@@H]1CCCC1(F)F)C(=O)CN1CCCC1 ZINC001320920583 1332979268 /nfs/dbraw/zinc/97/92/68/1332979268.db2.gz KNIDDFOQQFAICZ-HNNXBMFYSA-N 1 3 331.451 2.346 10 0 EEAEHO C[C@H](NC/C=C\CNC(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001321230451 1333050033 /nfs/dbraw/zinc/05/00/33/1333050033.db2.gz CMBZQNGKOSVHDP-JZIMQPMSSA-N 1 3 333.451 2.491 10 0 EEAEHO CCc1cccc(C[NH2+]C/C=C/CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001321248618 1333054572 /nfs/dbraw/zinc/05/45/72/1333054572.db2.gz CFQUYIGMRLFKKA-LAQIPUCWSA-N 1 3 329.488 2.353 10 0 EEAEHO CC(C)OCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001322335943 1333249274 /nfs/dbraw/zinc/24/92/74/1333249274.db2.gz HGVQRNVGGLQBBB-SJORKVTESA-N 1 3 339.524 2.160 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]CCc2ccccc2F)C1 ZINC001322694303 1333308670 /nfs/dbraw/zinc/30/86/70/1333308670.db2.gz PABPMFYIBSTTCK-INIZCTEOSA-N 1 3 335.467 2.148 10 0 EEAEHO Cc1ncc(CNCCCN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)o1 ZINC001322852372 1333341015 /nfs/dbraw/zinc/34/10/15/1333341015.db2.gz NEIWDPGDWWJEOW-QGZVFWFLSA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H](C[NH2+]CCc2ccc(C)cc2)C1 ZINC001330696784 1334888148 /nfs/dbraw/zinc/88/81/48/1334888148.db2.gz YSNLAQZIPOBUPH-IYARVYRRSA-N 1 3 340.471 2.296 10 0 EEAEHO C[C@@H]1[C@@H](NCc2ccccn2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001331943312 1335683647 /nfs/dbraw/zinc/68/36/47/1335683647.db2.gz HXNATRGANGQTNY-MJGOQNOKSA-N 1 3 344.503 2.427 10 0 EEAEHO C[C@H]1C[C@@H]([NH2+]CCOC2CCCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC001332026310 1335708399 /nfs/dbraw/zinc/70/83/99/1335708399.db2.gz JUOUZNBEPVTHNY-DOTOQJQBSA-N 1 3 348.491 2.271 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CC[C@H]1CCCCO1 ZINC001479816676 1337399746 /nfs/dbraw/zinc/39/97/46/1337399746.db2.gz WVZLBZNPHXKVJW-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CC[C@H]1CCCCO1 ZINC001479816676 1337399750 /nfs/dbraw/zinc/39/97/50/1337399750.db2.gz WVZLBZNPHXKVJW-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO CCN(CCNCc1ncccc1C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001668652587 1355979968 /nfs/dbraw/zinc/97/99/68/1355979968.db2.gz QZVMQADQRUFAJZ-SFHVURJKSA-N 1 3 332.492 2.203 10 0 EEAEHO CCN(CCNCc1ncccc1C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001668652587 1355979971 /nfs/dbraw/zinc/97/99/71/1355979971.db2.gz QZVMQADQRUFAJZ-SFHVURJKSA-N 1 3 332.492 2.203 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C)c(OC)c1 ZINC001567611755 1342794254 /nfs/dbraw/zinc/79/42/54/1342794254.db2.gz TWSSVYNENGANNC-SFHVURJKSA-N 1 3 347.503 2.426 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001568783130 1342854591 /nfs/dbraw/zinc/85/45/91/1342854591.db2.gz NRQZCJGOYKBWSR-RTBURBONSA-N 1 3 344.503 2.345 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001568783130 1342854596 /nfs/dbraw/zinc/85/45/96/1342854596.db2.gz NRQZCJGOYKBWSR-RTBURBONSA-N 1 3 344.503 2.345 10 0 EEAEHO CC(C)OCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001569810625 1342949544 /nfs/dbraw/zinc/94/95/44/1342949544.db2.gz ITDZTHOGFPVWES-IAGOWNOFSA-N 1 3 339.524 2.112 10 0 EEAEHO CN(CC(=O)N1CC[C@H](CC[NH2+]Cc2cccnc2)C1)CC(C)(C)C ZINC001570006596 1342997287 /nfs/dbraw/zinc/99/72/87/1342997287.db2.gz QDDDWAMQPQQPFY-KRWDZBQOSA-N 1 3 346.519 2.388 10 0 EEAEHO CN(CC(=O)N1C[C@H]([NH2+]CCCCCF)C(C)(C)C1)C1CCC1 ZINC001677003368 1357259782 /nfs/dbraw/zinc/25/97/82/1357259782.db2.gz FPZKLRBQQMPQDE-INIZCTEOSA-N 1 3 327.488 2.437 10 0 EEAEHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCOC(C)C)C1)N(C)C ZINC001656895258 1354295890 /nfs/dbraw/zinc/29/58/90/1354295890.db2.gz WMFYOFSMFAPLTG-IAGOWNOFSA-N 1 3 327.513 2.112 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCCOC)CC1 ZINC001664467478 1355171551 /nfs/dbraw/zinc/17/15/51/1355171551.db2.gz MKAAOZCFWATZEE-AEFFLSMTSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(Cl)n1)N(C)C ZINC001666651040 1355558898 /nfs/dbraw/zinc/55/88/98/1355558898.db2.gz ANXWZNHHDPWPNX-BBRMVZONSA-N 1 3 340.899 2.163 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(CO)cc1 ZINC001668324757 1355923420 /nfs/dbraw/zinc/92/34/20/1355923420.db2.gz DPGYSHKVBHRSPE-QFBILLFUSA-N 1 3 347.503 2.038 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC[C@H]2CCCO2)CC1)N(C)C ZINC001672991309 1356627879 /nfs/dbraw/zinc/62/78/79/1356627879.db2.gz WVNQESKCGLZCPN-TVFCKZIOSA-N 1 3 339.524 2.160 10 0 EEAEHO COCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001699848675 1405525702 /nfs/dbraw/zinc/52/57/02/1405525702.db2.gz QVSBJYJDKCKTIW-PKOBYXMFSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@]2(CC2(F)F)C1 ZINC000820087539 785784551 /nfs/dbraw/zinc/78/45/51/785784551.db2.gz XFPVZMROUXAFFG-HOCLYGCPSA-N 1 3 346.466 2.089 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@]2(CC2(F)F)C1 ZINC000820087539 785784559 /nfs/dbraw/zinc/78/45/59/785784559.db2.gz XFPVZMROUXAFFG-HOCLYGCPSA-N 1 3 346.466 2.089 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000823587808 787812085 /nfs/dbraw/zinc/81/20/85/787812085.db2.gz MSAYREAHCZPAFK-QYZOEREBSA-N 1 3 329.488 2.321 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000823587808 787812100 /nfs/dbraw/zinc/81/21/00/787812100.db2.gz MSAYREAHCZPAFK-QYZOEREBSA-N 1 3 329.488 2.321 10 0 EEAEHO CN(Cc1ccc(Br)cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923297947 789330919 /nfs/dbraw/zinc/33/09/19/789330919.db2.gz QEORFTNZYITHRR-AWEZNQCLSA-N 1 3 325.250 2.259 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](NCc1ccns1)C1CC1 ZINC001436794815 1088364102 /nfs/dbraw/zinc/36/41/02/1088364102.db2.gz YTGCMDRNINGIFW-HOTGVXAUSA-N 1 3 336.505 2.000 10 0 EEAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](NCc1ccns1)C1CC1 ZINC001436794815 1088364114 /nfs/dbraw/zinc/36/41/14/1088364114.db2.gz YTGCMDRNINGIFW-HOTGVXAUSA-N 1 3 336.505 2.000 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](NCc2sccc2Cl)C2CC2)C1 ZINC001436824279 1088425205 /nfs/dbraw/zinc/42/52/05/1088425205.db2.gz CSUOGEMIIMEMFO-GXTWGEPZSA-N 1 3 341.908 2.338 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](NCc2sccc2Cl)C2CC2)C1 ZINC001436824279 1088425214 /nfs/dbraw/zinc/42/52/14/1088425214.db2.gz CSUOGEMIIMEMFO-GXTWGEPZSA-N 1 3 341.908 2.338 10 0 EEAEHO C[C@@H]1C[C@H](C[NH2+][C@H]2C[C@H](NC(=O)CN(C)CC(C)(C)C)C2)CCO1 ZINC001436916611 1088577710 /nfs/dbraw/zinc/57/77/10/1088577710.db2.gz SVYXCXIJMMYRNE-QBPKDAKJSA-N 1 3 339.524 2.016 10 0 EEAEHO Cc1oncc1CN1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001437919091 1090506399 /nfs/dbraw/zinc/50/63/99/1090506399.db2.gz PTILYBCAVAMJSX-AEFFLSMTSA-N 1 3 348.491 2.184 10 0 EEAEHO Cc1oncc1CN1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001437919091 1090506402 /nfs/dbraw/zinc/50/64/02/1090506402.db2.gz PTILYBCAVAMJSX-AEFFLSMTSA-N 1 3 348.491 2.184 10 0 EEAEHO Cc1ncccc1C[N@H+]1CC[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001437963363 1090557558 /nfs/dbraw/zinc/55/75/58/1090557558.db2.gz XRPSPPJNSFDFNL-KRWDZBQOSA-N 1 3 332.492 2.058 10 0 EEAEHO Cc1ncccc1C[N@@H+]1CC[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001437963363 1090557560 /nfs/dbraw/zinc/55/75/60/1090557560.db2.gz XRPSPPJNSFDFNL-KRWDZBQOSA-N 1 3 332.492 2.058 10 0 EEAEHO CC[C@@H](F)CN(C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001437976911 1090568803 /nfs/dbraw/zinc/56/88/03/1090568803.db2.gz HBMUCXULEVKGIW-JKSUJKDBSA-N 1 3 325.472 2.143 10 0 EEAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001438161101 1090674224 /nfs/dbraw/zinc/67/42/24/1090674224.db2.gz QZCLMQBXZJXUSW-IYBDPMFKSA-N 1 3 333.520 2.488 10 0 EEAEHO Cc1ncsc1C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001438445063 1090948437 /nfs/dbraw/zinc/94/84/37/1090948437.db2.gz NEUKTWXTPAJJKG-SHTZXODSSA-N 1 3 338.521 2.309 10 0 EEAEHO C[NH+](C)CCC(=O)NC[C@@H]1CCN1CCCc1ccc(Cl)cc1 ZINC001446087883 1092110556 /nfs/dbraw/zinc/11/05/56/1092110556.db2.gz VTCOIKFQMKMBDL-KRWDZBQOSA-N 1 3 337.895 2.415 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CNCc1ncccc1C)C1CC1 ZINC001439460125 1092236787 /nfs/dbraw/zinc/23/67/87/1092236787.db2.gz WHHATIIXPVNHBQ-RTBURBONSA-N 1 3 344.503 2.249 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](CNCc1ncccc1C)C1CC1 ZINC001439460125 1092236800 /nfs/dbraw/zinc/23/68/00/1092236800.db2.gz WHHATIIXPVNHBQ-RTBURBONSA-N 1 3 344.503 2.249 10 0 EEAEHO Cc1ncccc1CNC1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001446293769 1092454935 /nfs/dbraw/zinc/45/49/35/1092454935.db2.gz IJDIPECJOUHEME-HUUCEWRRSA-N 1 3 330.476 2.001 10 0 EEAEHO CC[C@H](F)CN1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001439831995 1092823452 /nfs/dbraw/zinc/82/34/52/1092823452.db2.gz RUQGYZWEOJJNPA-WMZOPIPTSA-N 1 3 327.488 2.391 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(CNC/C(Cl)=C\Cl)C2)C1 ZINC001439908721 1092976677 /nfs/dbraw/zinc/97/66/77/1092976677.db2.gz ZTKVQSWBJGRRMF-DPGSSJLYSA-N 1 3 348.318 2.475 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(CNC/C(Cl)=C\Cl)C2)C1 ZINC001439908721 1092976685 /nfs/dbraw/zinc/97/66/85/1092976685.db2.gz ZTKVQSWBJGRRMF-DPGSSJLYSA-N 1 3 348.318 2.475 10 0 EEAEHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H](NCc2ccc(F)cn2)C1 ZINC001440313423 1093444904 /nfs/dbraw/zinc/44/49/04/1093444904.db2.gz LCHNTHJCJLGLOJ-YRBFXIGRSA-N 1 3 348.466 2.078 10 0 EEAEHO Cc1cncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)c1 ZINC001440399146 1093582153 /nfs/dbraw/zinc/58/21/53/1093582153.db2.gz CCIFEHLHKVQHHV-FUHWJXTLSA-N 1 3 344.503 2.249 10 0 EEAEHO C[NH+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccccc3F)C[C@H]2C1 ZINC001440448337 1093660492 /nfs/dbraw/zinc/66/04/92/1093660492.db2.gz MUNSSCOCRPTDKI-WBVHZDCISA-N 1 3 333.451 2.058 10 0 EEAEHO Cc1nc(C)c(C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C)s1 ZINC001440864669 1094126452 /nfs/dbraw/zinc/12/64/52/1094126452.db2.gz XRXKMUKISIIUNL-NEPJUHHUSA-N 1 3 326.510 2.083 10 0 EEAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001441163903 1094512700 /nfs/dbraw/zinc/51/27/00/1094512700.db2.gz RYRLEKXDAOBTIV-KBPBESRZSA-N 1 3 343.462 2.343 10 0 EEAEHO CN(C)c1cccc(CN2C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)c1 ZINC001441254636 1094652298 /nfs/dbraw/zinc/65/22/98/1094652298.db2.gz MRPBQYWBMHLERT-SFHVURJKSA-N 1 3 346.519 2.031 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](CNC/C(Cl)=C\Cl)C2)C1 ZINC001441620280 1095488544 /nfs/dbraw/zinc/48/85/44/1095488544.db2.gz QRGQPLBDOLUORS-RNRBBCFGSA-N 1 3 348.318 2.475 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](CNC/C(Cl)=C\Cl)C2)C1 ZINC001441620280 1095488546 /nfs/dbraw/zinc/48/85/46/1095488546.db2.gz QRGQPLBDOLUORS-RNRBBCFGSA-N 1 3 348.318 2.475 10 0 EEAEHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2cc(C)ccc2F)C1)N(C)C ZINC001442860748 1097253965 /nfs/dbraw/zinc/25/39/65/1097253965.db2.gz GEQMIVRIWIKRJF-MAUKXSAKSA-N 1 3 335.467 2.412 10 0 EEAEHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2cc(C)ccc2F)C1)N(C)C ZINC001442860748 1097253969 /nfs/dbraw/zinc/25/39/69/1097253969.db2.gz GEQMIVRIWIKRJF-MAUKXSAKSA-N 1 3 335.467 2.412 10 0 EEAEHO Cc1ccc(F)c(CN2CC[C@@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001442885356 1097281279 /nfs/dbraw/zinc/28/12/79/1097281279.db2.gz SZGLMFYRVOIZMR-INIZCTEOSA-N 1 3 335.467 2.414 10 0 EEAEHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1c(C)nsc1C ZINC001443934073 1098453470 /nfs/dbraw/zinc/45/34/70/1098453470.db2.gz NHAIVSFOYFQICT-CQSZACIVSA-N 1 3 338.521 2.229 10 0 EEAEHO O=C(NC1(CNCc2cncs2)CCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001444058629 1098582270 /nfs/dbraw/zinc/58/22/70/1098582270.db2.gz BJYVVIPOQMOXPY-INIZCTEOSA-N 1 3 348.516 2.004 10 0 EEAEHO C[C@@H](NCc1cncc(F)c1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479828518 1099108695 /nfs/dbraw/zinc/10/86/95/1099108695.db2.gz BEHRBYGEYLZDKY-PBHICJAKSA-N 1 3 336.455 2.032 10 0 EEAEHO Cc1ccc(F)c(CN[C@H](CNC(=O)C23CC[NH+](CC2)C3)C2CC2)c1 ZINC001480060898 1099587178 /nfs/dbraw/zinc/58/71/78/1099587178.db2.gz YIWKBJNCWZKRPM-GOSISDBHSA-N 1 3 345.462 2.214 10 0 EEAEHO C[C@@H](c1ccccc1)N(C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001444986072 1100114186 /nfs/dbraw/zinc/11/41/86/1100114186.db2.gz FVMHRXGZJHDDTF-QFBILLFUSA-N 1 3 329.488 2.480 10 0 EEAEHO COCc1cccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC001480458982 1100263937 /nfs/dbraw/zinc/26/39/37/1100263937.db2.gz GXTLJQKDAXVESX-APWZRJJASA-N 1 3 347.503 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FTYZCGAPJUWNGD-CAMMJAKZSA-N 1 3 329.488 2.496 10 0 EEAEHO CN1CC[C@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000245645926 277166704 /nfs/dbraw/zinc/16/67/04/277166704.db2.gz LNYCYUWIUOKVBL-OALUTQOASA-N 1 3 344.503 2.463 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)[C@@H]1c1ccccc1 ZINC000489937532 290248807 /nfs/dbraw/zinc/24/88/07/290248807.db2.gz ZJCLGBCAFMVDKB-HBFSDRIKSA-N 1 3 342.487 2.169 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)[C@@H]1c1ccccc1 ZINC000489937532 290248809 /nfs/dbraw/zinc/24/88/09/290248809.db2.gz ZJCLGBCAFMVDKB-HBFSDRIKSA-N 1 3 342.487 2.169 10 0 EEAEHO CCC[NH+]1CCC(N(C)C(=O)N[C@H](CC(C)C)CN(C)C)CC1 ZINC000171043026 311399996 /nfs/dbraw/zinc/39/99/96/311399996.db2.gz LGPWPSXSYWFBJU-MRXNPFEDSA-N 1 3 326.529 2.479 10 0 EEAEHO C[C@H](Cc1ccoc1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000449216461 315434164 /nfs/dbraw/zinc/43/41/64/315434164.db2.gz SMIPPBDYXUNKMY-APWZRJJASA-N 1 3 343.471 2.089 10 0 EEAEHO O=C(NC[C@H]1CCN1C1CCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000527896687 317283180 /nfs/dbraw/zinc/28/31/80/317283180.db2.gz SPVAPKDQVHYBGQ-IIIMJFFVSA-N 1 3 334.508 2.319 10 0 EEAEHO C[C@@H]([NH2+]CCOCCN(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000382998314 323526758 /nfs/dbraw/zinc/52/67/58/323526758.db2.gz ZIDMGCOQABTCGK-CVEARBPZSA-N 1 3 343.512 2.190 10 0 EEAEHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCCN(C)C2)C1 ZINC000065521326 462787993 /nfs/dbraw/zinc/78/79/93/462787993.db2.gz SHHZOGBEEICXTK-BPQIPLTHSA-N 1 3 330.476 2.215 10 0 EEAEHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@H]2CCCN(C)C2)C1 ZINC000065521326 462787997 /nfs/dbraw/zinc/78/79/97/462787997.db2.gz SHHZOGBEEICXTK-BPQIPLTHSA-N 1 3 330.476 2.215 10 0 EEAEHO CC(C)[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000057205236 463465860 /nfs/dbraw/zinc/46/58/60/463465860.db2.gz FELMZCCRZFTONR-LJQANCHMSA-N 1 3 346.519 2.331 10 0 EEAEHO C[NH+](C)[C@H]1CCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000170834946 463718445 /nfs/dbraw/zinc/71/84/45/463718445.db2.gz VQPJVABOAVDAQD-MOPGFXCFSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(N)CCOCC3)cc2)C1 ZINC000261646599 463814764 /nfs/dbraw/zinc/81/47/64/463814764.db2.gz AATCRYHNCXXJQQ-OAHLLOKOSA-N 1 3 331.460 2.365 10 0 EEAEHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3(N)CCOCC3)cc2)C1 ZINC000261646599 463814773 /nfs/dbraw/zinc/81/47/73/463814773.db2.gz AATCRYHNCXXJQQ-OAHLLOKOSA-N 1 3 331.460 2.365 10 0 EEAEHO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261727277 463840362 /nfs/dbraw/zinc/84/03/62/463840362.db2.gz GRXMTJRMRJOTOA-HIFRSBDPSA-N 1 3 335.414 2.109 10 0 EEAEHO Cn1cc([C@@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000272419449 464602987 /nfs/dbraw/zinc/60/29/87/464602987.db2.gz NDXDZGZXPBCRJZ-HAGHYFMRSA-N 1 3 340.471 2.239 10 0 EEAEHO CN1CC[C@H]([NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353521801 465950133 /nfs/dbraw/zinc/95/01/33/465950133.db2.gz SQGCPYSIVJKRPE-IVAOSVALSA-N 1 3 343.515 2.086 10 0 EEAEHO CN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CN2CCC1CC2 ZINC000338536231 466204378 /nfs/dbraw/zinc/20/43/78/466204378.db2.gz MDSNSULRWVUDAX-LJQANCHMSA-N 1 3 327.472 2.449 10 0 EEAEHO CC[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)N1CCc2ccccc2C1 ZINC000338761688 466362890 /nfs/dbraw/zinc/36/28/90/466362890.db2.gz JGCDDFWUHKTROS-OALUTQOASA-N 1 3 344.503 2.217 10 0 EEAEHO CC[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)N1CCc2ccccc2C1 ZINC000338761688 466362898 /nfs/dbraw/zinc/36/28/98/466362898.db2.gz JGCDDFWUHKTROS-OALUTQOASA-N 1 3 344.503 2.217 10 0 EEAEHO COc1ccc2c(c1)[C@@H](N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC2 ZINC000347191473 466465020 /nfs/dbraw/zinc/46/50/20/466465020.db2.gz HKUKPUXHPZENOX-OALUTQOASA-N 1 3 347.503 2.365 10 0 EEAEHO COC[C@@H](CCC[NH3+])N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422791515 466682565 /nfs/dbraw/zinc/68/25/65/466682565.db2.gz YPVFKTYFLWFJPK-UKRRQHHQSA-N 1 3 339.867 2.179 10 0 EEAEHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)cc1 ZINC000423390327 466736595 /nfs/dbraw/zinc/73/65/95/466736595.db2.gz KAHSZHOIHBWUMJ-XEZPLFJOSA-N 1 3 325.478 2.097 10 0 EEAEHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000417194647 466799276 /nfs/dbraw/zinc/79/92/76/466799276.db2.gz NCVJIJJYGNXHGQ-MSOLQXFVSA-N 1 3 334.508 2.174 10 0 EEAEHO CN1CCC[C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@H]1c1cccs1 ZINC000417737753 466920131 /nfs/dbraw/zinc/92/01/31/466920131.db2.gz OFDGMZIWUPFDIT-AIANPOQGSA-N 1 3 348.516 2.134 10 0 EEAEHO C[C@H](CCC[NH3+])NC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418047666 467032610 /nfs/dbraw/zinc/03/26/10/467032610.db2.gz UEUIINHJWITDFJ-VQIMIIECSA-N 1 3 332.492 2.468 10 0 EEAEHO C[C@@]1(CNC(=O)NC[C@H]([NH3+])C2CC2)CCCN1Cc1ccccc1 ZINC000418048849 467034500 /nfs/dbraw/zinc/03/45/00/467034500.db2.gz WUVSZUXTZOXDKL-HKUYNNGSSA-N 1 3 330.476 2.078 10 0 EEAEHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418102109 467045401 /nfs/dbraw/zinc/04/54/01/467045401.db2.gz GYRYWXZVNCZVDX-HKUYNNGSSA-N 1 3 342.487 2.044 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000418148214 467058779 /nfs/dbraw/zinc/05/87/79/467058779.db2.gz REJISHLSSLCIHU-MNEFBYGVSA-N 1 3 344.503 2.194 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000418615135 467136208 /nfs/dbraw/zinc/13/62/08/467136208.db2.gz GTOXFSDZNLMTAD-BPQIPLTHSA-N 1 3 330.476 2.043 10 0 EEAEHO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418697668 467147797 /nfs/dbraw/zinc/14/77/97/467147797.db2.gz MEBCAYRQXDYKSR-SJORKVTESA-N 1 3 332.492 2.072 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000398087022 467447416 /nfs/dbraw/zinc/44/74/16/467447416.db2.gz UPXIWPXLUDAGKC-NEWSRXKRSA-N 1 3 329.488 2.403 10 0 EEAEHO CCCN1CCN(c2ccccc2CN[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000414943738 467455827 /nfs/dbraw/zinc/45/58/27/467455827.db2.gz OKVNDQCWKJGAOY-MJGOQNOKSA-N 1 3 330.520 2.306 10 0 EEAEHO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415065740 467479762 /nfs/dbraw/zinc/47/97/62/467479762.db2.gz HNGGZTHTOUJVSL-KBPBESRZSA-N 1 3 336.505 2.135 10 0 EEAEHO CC(C)C[C@@H]([NH3+])CNCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000415116929 467493937 /nfs/dbraw/zinc/49/39/37/467493937.db2.gz ILCUNQGLUNMNEL-MRXNPFEDSA-N 1 3 334.460 2.427 10 0 EEAEHO Cc1ccc(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c(OCCN(C)C)c1 ZINC000415203190 467518159 /nfs/dbraw/zinc/51/81/59/467518159.db2.gz KLTVYIBLQABJEL-HOCLYGCPSA-N 1 3 334.464 2.055 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457074847 467745667 /nfs/dbraw/zinc/74/56/67/467745667.db2.gz LZQUVNWDNIASGX-UHFFFAOYSA-N 1 3 333.476 2.231 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NCC[N@H+]1CCCC1(C)C ZINC000457074847 467745670 /nfs/dbraw/zinc/74/56/70/467745670.db2.gz LZQUVNWDNIASGX-UHFFFAOYSA-N 1 3 333.476 2.231 10 0 EEAEHO C[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN(C2CC2)C1 ZINC000458475671 467841991 /nfs/dbraw/zinc/84/19/91/467841991.db2.gz NIWYXRLUNMWVCG-DUZACMNTSA-N 1 3 334.508 2.127 10 0 EEAEHO C[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCN(C2CC2)C1 ZINC000458475671 467841995 /nfs/dbraw/zinc/84/19/95/467841995.db2.gz NIWYXRLUNMWVCG-DUZACMNTSA-N 1 3 334.508 2.127 10 0 EEAEHO C[C@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CCN(C2CC2)C1 ZINC000458569559 467859208 /nfs/dbraw/zinc/85/92/08/467859208.db2.gz KWRXMKJDVOOIQS-KLAILNCOSA-N 1 3 336.524 2.233 10 0 EEAEHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000516749678 468044929 /nfs/dbraw/zinc/04/49/29/468044929.db2.gz IXFPNUVIZKLIRB-ATLSCFEFSA-N 1 3 330.476 2.119 10 0 EEAEHO CSC1(CNCc2c(C(F)(F)F)cnn2C)CC[NH+](C)CC1 ZINC000594940399 468727878 /nfs/dbraw/zinc/72/78/78/468727878.db2.gz BNMUULXIBCLMNP-UHFFFAOYSA-N 1 3 336.427 2.356 10 0 EEAEHO COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000595014537 468743115 /nfs/dbraw/zinc/74/31/15/468743115.db2.gz BAQHPSDKUKVKGQ-HOTGVXAUSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@H](CSCCF)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000595075294 468752981 /nfs/dbraw/zinc/75/29/81/468752981.db2.gz YEOUQHQQHMVWOI-RHSMWYFYSA-N 1 3 326.481 2.434 10 0 EEAEHO C[C@H](NCCc1ccc(I)cc1)C1C[NH2+]C1 ZINC000596655372 469323535 /nfs/dbraw/zinc/32/35/35/469323535.db2.gz WAQIRKVBUYFJHR-JTQLQIEISA-N 1 3 330.213 2.031 10 0 EEAEHO C[C@H]([NH2+]CCc1ccc(I)cc1)C1CNC1 ZINC000596655372 469323540 /nfs/dbraw/zinc/32/35/40/469323540.db2.gz WAQIRKVBUYFJHR-JTQLQIEISA-N 1 3 330.213 2.031 10 0 EEAEHO Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C2CC2)n1 ZINC000617503522 469702383 /nfs/dbraw/zinc/70/23/83/469702383.db2.gz NBOSQNAOJROESK-HNNXBMFYSA-N 1 3 332.492 2.269 10 0 EEAEHO Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C2CC2)n1 ZINC000617503522 469702387 /nfs/dbraw/zinc/70/23/87/469702387.db2.gz NBOSQNAOJROESK-HNNXBMFYSA-N 1 3 332.492 2.269 10 0 EEAEHO Cc1cccc(C2(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC2)c1 ZINC000617505065 469703447 /nfs/dbraw/zinc/70/34/47/469703447.db2.gz WCHGVSZPCOPIEQ-KRWDZBQOSA-N 1 3 331.504 2.415 10 0 EEAEHO Cc1cccc(C2(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC2)c1 ZINC000617505065 469703450 /nfs/dbraw/zinc/70/34/50/469703450.db2.gz WCHGVSZPCOPIEQ-KRWDZBQOSA-N 1 3 331.504 2.415 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1cccs1 ZINC000617505616 469703681 /nfs/dbraw/zinc/70/36/81/469703681.db2.gz KDNXPBLFCNVFRN-AWEZNQCLSA-N 1 3 325.522 2.414 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1cccs1 ZINC000617505616 469703687 /nfs/dbraw/zinc/70/36/87/469703687.db2.gz KDNXPBLFCNVFRN-AWEZNQCLSA-N 1 3 325.522 2.414 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1c(C)noc1C ZINC000617505175 469704667 /nfs/dbraw/zinc/70/46/67/469704667.db2.gz XEOVMDGMUGVZNF-XJKSGUPXSA-N 1 3 338.496 2.173 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1c(C)noc1C ZINC000617505175 469704670 /nfs/dbraw/zinc/70/46/70/469704670.db2.gz XEOVMDGMUGVZNF-XJKSGUPXSA-N 1 3 338.496 2.173 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627008389 469788065 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CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[C@@H]1CC1(F)F ZINC000621550031 470066776 /nfs/dbraw/zinc/06/67/76/470066776.db2.gz BRJZGHZLQNVKNG-CABCVRRESA-N 1 3 346.466 2.089 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[C@@H]1CC1(F)F ZINC000621550031 470066779 /nfs/dbraw/zinc/06/67/79/470066779.db2.gz BRJZGHZLQNVKNG-CABCVRRESA-N 1 3 346.466 2.089 10 0 EEAEHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(-c2ccc(OCC(N)=O)cc2)cc1 ZINC000622044835 470153533 /nfs/dbraw/zinc/15/35/33/470153533.db2.gz UTFSKLWQEVSMFB-CABCVRRESA-N 1 3 341.455 2.433 10 0 EEAEHO CC(C)(C)N1CC[C@H]1CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634649182 470274837 /nfs/dbraw/zinc/27/48/37/470274837.db2.gz ILAOJWSLVKGVGL-AZUAARDMSA-N 1 3 331.504 2.086 10 0 EEAEHO CC(C)(C)N1CC[C@H]1CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649182 470274839 /nfs/dbraw/zinc/27/48/39/470274839.db2.gz ILAOJWSLVKGVGL-AZUAARDMSA-N 1 3 331.504 2.086 10 0 EEAEHO CCc1cnc(CCNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000634706164 470282381 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CN(C)C1(C(=O)N2CC[C@](C)(C[NH2+]CCC(F)(F)F)C2)CCC1 ZINC001270737160 1185355760 /nfs/dbraw/zinc/35/57/60/1185355760.db2.gz GTJIWSPSBXAJMF-CQSZACIVSA-N 1 3 335.414 2.251 10 0 EEAEHO CC(C)C[C@@H](CNCc1ccccn1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482392666 1185598263 /nfs/dbraw/zinc/59/82/63/1185598263.db2.gz XYQIZKSTDJPQHR-LNLFQRSKSA-N 1 3 346.519 2.432 10 0 EEAEHO CC(C)C[C@@H](CNCc1ccccn1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482392666 1185598267 /nfs/dbraw/zinc/59/82/67/1185598267.db2.gz XYQIZKSTDJPQHR-LNLFQRSKSA-N 1 3 346.519 2.432 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccn1 ZINC001482463339 1185936110 /nfs/dbraw/zinc/93/61/10/1185936110.db2.gz YGBCSEBWXLRFHE-GOSISDBHSA-N 1 3 332.492 2.283 10 0 EEAEHO Cc1csc(CNCC[C@H]2CCCCN2C(=O)CC[NH+](C)C)n1 ZINC001271576836 1186319799 /nfs/dbraw/zinc/31/97/99/1186319799.db2.gz PMPPMXUYXPUSSW-OAHLLOKOSA-N 1 3 338.521 2.264 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1ccc(C)nc1C ZINC001483015269 1188002080 /nfs/dbraw/zinc/00/20/80/1188002080.db2.gz HFRUNVYEYLMHMF-VOFKWLDRSA-N 1 3 344.503 2.335 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1ccc(C)nc1C ZINC001483015269 1188002082 /nfs/dbraw/zinc/00/20/82/1188002082.db2.gz HFRUNVYEYLMHMF-VOFKWLDRSA-N 1 3 344.503 2.335 10 0 EEAEHO COCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001691620031 1188320525 /nfs/dbraw/zinc/32/05/25/1188320525.db2.gz FLYXMQXFUABUBX-ROUUACIJSA-N 1 3 341.540 2.360 10 0 EEAEHO CCc1ccc(C[NH2+]C/C=C\CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001483061281 1188364248 /nfs/dbraw/zinc/36/42/48/1188364248.db2.gz UYTGFJCLJCXDGM-VGOKWCNXSA-N 1 3 329.488 2.353 10 0 EEAEHO Cc1oncc1CN[C@H](C)[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001409483067 1189843812 /nfs/dbraw/zinc/84/38/12/1189843812.db2.gz YSMQERLYPYEOAZ-ZIAGYGMSSA-N 1 3 344.459 2.341 10 0 EEAEHO CC(C)Oc1ccccc1CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485955641 1193648284 /nfs/dbraw/zinc/64/82/84/1193648284.db2.gz OGRMHSRJKGOJLM-AEFFLSMTSA-N 1 3 347.503 2.362 10 0 EEAEHO CC(C)Oc1ccccc1CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485955641 1193648285 /nfs/dbraw/zinc/64/82/85/1193648285.db2.gz OGRMHSRJKGOJLM-AEFFLSMTSA-N 1 3 347.503 2.362 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC1CCOCC1 ZINC001483422024 1190470088 /nfs/dbraw/zinc/47/00/88/1190470088.db2.gz UDSBOBYJRRQMAE-WMZOPIPTSA-N 1 3 339.524 2.114 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC1CCOCC1 ZINC001483422024 1190470091 /nfs/dbraw/zinc/47/00/91/1190470091.db2.gz UDSBOBYJRRQMAE-WMZOPIPTSA-N 1 3 339.524 2.114 10 0 EEAEHO COc1cccc([C@H](C)[NH2+]CCCN(C)C(=O)CN2CCCC2)c1 ZINC001483510466 1190522159 /nfs/dbraw/zinc/52/21/59/1190522159.db2.gz KWCNTEPBWUHSMN-INIZCTEOSA-N 1 3 333.476 2.290 10 0 EEAEHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]Cc1cc(C)no1 ZINC001483620630 1190602628 /nfs/dbraw/zinc/60/26/28/1190602628.db2.gz AHFFUZHGMCTNLB-DOTOQJQBSA-N 1 3 336.480 2.040 10 0 EEAEHO Cc1cccc(CCC[NH2+][C@H]2C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001486124506 1193688630 /nfs/dbraw/zinc/68/86/30/1193688630.db2.gz QNYRITSSXBVDLE-APWZRJJASA-N 1 3 340.471 2.472 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(NCc2ccc(C)nc2C)CC1 ZINC001483737783 1190868608 /nfs/dbraw/zinc/86/86/08/1190868608.db2.gz DUAMTPRHOGZOJQ-SFHVURJKSA-N 1 3 344.503 2.311 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(NCc2ccc(C)nc2C)CC1 ZINC001483737783 1190868610 /nfs/dbraw/zinc/86/86/10/1190868610.db2.gz DUAMTPRHOGZOJQ-SFHVURJKSA-N 1 3 344.503 2.311 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](CC[NH2+]Cc3ccccc3F)C2)C1 ZINC001272566089 1190881051 /nfs/dbraw/zinc/88/10/51/1190881051.db2.gz RSVFSWIWMKUKQD-IAGOWNOFSA-N 1 3 347.478 2.496 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001484382852 1191322951 /nfs/dbraw/zinc/32/29/51/1191322951.db2.gz MOQRZCPSRGZVOI-WBVHZDCISA-N 1 3 335.467 2.352 10 0 EEAEHO C[NH+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)cn1 ZINC001484391690 1191325778 /nfs/dbraw/zinc/32/57/78/1191325778.db2.gz WYMLDSUHDMURAK-GBEXYDAJSA-N 1 3 348.466 2.032 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N(CCNCCF)Cc2ccccc2)CC[N@@H+]1C ZINC001484400677 1191335100 /nfs/dbraw/zinc/33/51/00/1191335100.db2.gz ZSLJXTIWPZNTLH-WMZOPIPTSA-N 1 3 335.467 2.305 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N(CCNCCF)Cc2ccccc2)CC[N@H+]1C ZINC001484400677 1191335102 /nfs/dbraw/zinc/33/51/02/1191335102.db2.gz ZSLJXTIWPZNTLH-WMZOPIPTSA-N 1 3 335.467 2.305 10 0 EEAEHO CC[C@H](F)CNCCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001484401131 1191335151 /nfs/dbraw/zinc/33/51/51/1191335151.db2.gz GHODNIXWOMAUEW-ROUUACIJSA-N 1 3 335.467 2.305 10 0 EEAEHO CC[C@H](F)CNCCN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001484401131 1191335152 /nfs/dbraw/zinc/33/51/52/1191335152.db2.gz GHODNIXWOMAUEW-ROUUACIJSA-N 1 3 335.467 2.305 10 0 EEAEHO CCc1nc(C)c(C[NH2+]C2(CNC(=O)[C@H]3CCCCN3C)CCC2)o1 ZINC001484639890 1191454473 /nfs/dbraw/zinc/45/44/73/1191454473.db2.gz XDTYVCGLRAFQDZ-OAHLLOKOSA-N 1 3 348.491 2.158 10 0 EEAEHO COc1ccc(CC[NH2+][C@H](C)[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001485155822 1191668289 /nfs/dbraw/zinc/66/82/89/1191668289.db2.gz LGWLDRSRFSTJGM-CVEARBPZSA-N 1 3 347.503 2.205 10 0 EEAEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@@H](C)[NH2+]CCC1CCOCC1 ZINC001485179776 1191678900 /nfs/dbraw/zinc/67/89/00/1191678900.db2.gz JKEXFUHYVFGIJS-HZPDHXFCSA-N 1 3 339.524 2.160 10 0 EEAEHO C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC[NH+](CCCF)CC1 ZINC001486447673 1193962728 /nfs/dbraw/zinc/96/27/28/1193962728.db2.gz JXCLMDKZBUVYSS-HNNXBMFYSA-N 1 3 327.488 2.437 10 0 EEAEHO CCCCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CCO1 ZINC001273260370 1197840600 /nfs/dbraw/zinc/84/06/00/1197840600.db2.gz IHVJQFZEFVGDME-ROUUACIJSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1nc(C(C)C)ccc1CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410501713 1198056875 /nfs/dbraw/zinc/05/68/75/1198056875.db2.gz RABJCTWTEYXNOM-CRAIPNDOSA-N 1 3 346.519 2.402 10 0 EEAEHO Cc1nc(C(C)C)ccc1CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410501713 1198056884 /nfs/dbraw/zinc/05/68/84/1198056884.db2.gz RABJCTWTEYXNOM-CRAIPNDOSA-N 1 3 346.519 2.402 10 0 EEAEHO CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2c(C)nsc2C)C1)N(C)C ZINC001411279245 1199056882 /nfs/dbraw/zinc/05/68/82/1199056882.db2.gz NCJDLSIFVNHNRM-ZBCRRDGASA-N 1 3 338.521 2.179 10 0 EEAEHO C[C@H]1C[C@H](NC(=O)CCC23CC(C2)C[NH2+]3)CN1Cc1ccccc1 ZINC000870907580 1200944032 /nfs/dbraw/zinc/94/40/32/1200944032.db2.gz ZBNREWPKCWECIN-VHJHTJHASA-N 1 3 327.472 2.298 10 0 EEAEHO Cc1cncc(CNC/C=C/CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001274154624 1204412838 /nfs/dbraw/zinc/41/28/38/1204412838.db2.gz TUOQAAFXGWXHFP-PXPVJAHISA-N 1 3 344.503 2.272 10 0 EEAEHO Cc1cncc(CNC/C=C/CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001274154624 1204412839 /nfs/dbraw/zinc/41/28/39/1204412839.db2.gz TUOQAAFXGWXHFP-PXPVJAHISA-N 1 3 344.503 2.272 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[N@H+](C)[C@H]3C)cc2)CC1 ZINC000925312304 1206094448 /nfs/dbraw/zinc/09/44/48/1206094448.db2.gz HRFAGLPMOYGSBG-YJBOKZPZSA-N 1 3 345.491 2.043 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[N@@H+](C)[C@H]3C)cc2)CC1 ZINC000925312304 1206094450 /nfs/dbraw/zinc/09/44/50/1206094450.db2.gz HRFAGLPMOYGSBG-YJBOKZPZSA-N 1 3 345.491 2.043 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CC[N@@H+]1C ZINC000925324555 1206096860 /nfs/dbraw/zinc/09/68/60/1206096860.db2.gz NHTGNNPNULQXRU-LMMKCTJWSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CC[N@H+]1C ZINC000925324555 1206096862 /nfs/dbraw/zinc/09/68/62/1206096862.db2.gz NHTGNNPNULQXRU-LMMKCTJWSA-N 1 3 344.503 2.385 10 0 EEAEHO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925581153 1206131691 /nfs/dbraw/zinc/13/16/91/1206131691.db2.gz PZEPGBLZZISRFL-IAGOWNOFSA-N 1 3 333.476 2.466 10 0 EEAEHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2ccc(NS(C)(=O)=O)cc2)C1 ZINC000925596864 1206133867 /nfs/dbraw/zinc/13/38/67/1206133867.db2.gz XHQFTNIKRSSFGQ-ZFWWWQNUSA-N 1 3 325.478 2.054 10 0 EEAEHO C[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccnnc1 ZINC000926591271 1206230003 /nfs/dbraw/zinc/23/00/03/1206230003.db2.gz JVZGXQNTOCRFPB-INIZCTEOSA-N 1 3 326.444 2.154 10 0 EEAEHO CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000926725540 1206240116 /nfs/dbraw/zinc/24/01/16/1206240116.db2.gz KBGRICQICXEZGZ-ROUUACIJSA-N 1 3 341.499 2.403 10 0 EEAEHO Cc1nc(CNCCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)sc1C ZINC001276339384 1215798212 /nfs/dbraw/zinc/79/82/12/1215798212.db2.gz BLRFALWFNGVPKM-INIZCTEOSA-N 1 3 340.537 2.284 10 0 EEAEHO CN(C)[C@H](CNC(=O)C[NH2+]C1([C@H]2CCCO2)CCC1)c1ccccc1 ZINC001413087141 1234034421 /nfs/dbraw/zinc/03/44/21/1234034421.db2.gz UQRPQHKRPFPXCY-QZTJIDSGSA-N 1 3 345.487 2.097 10 0 EEAEHO C[N@@H+]1CC[C@](O)(CN[C@@H](CCc2cccnc2)c2ccccc2)C1 ZINC000902954408 1239183566 /nfs/dbraw/zinc/18/35/66/1239183566.db2.gz VPXOGRBCZXKVFT-PMACEKPBSA-N 1 3 325.456 2.412 10 0 EEAEHO C[N@H+]1CC[C@](O)(CN[C@@H](CCc2cccnc2)c2ccccc2)C1 ZINC000902954408 1239183573 /nfs/dbraw/zinc/18/35/73/1239183573.db2.gz VPXOGRBCZXKVFT-PMACEKPBSA-N 1 3 325.456 2.412 10 0 EEAEHO C[C@@]1([C@H]2CCC[N@H+](Cc3cc4c(s3)CCNC4)C2)COC(=O)N1 ZINC000903986440 1242879671 /nfs/dbraw/zinc/87/96/71/1242879671.db2.gz JQZSELOOPMERDU-GUYCJALGSA-N 1 3 335.473 2.104 10 0 EEAEHO C[C@@]1([C@H]2CCC[N@@H+](Cc3cc4c(s3)CCNC4)C2)COC(=O)N1 ZINC000903986440 1242879680 /nfs/dbraw/zinc/87/96/80/1242879680.db2.gz JQZSELOOPMERDU-GUYCJALGSA-N 1 3 335.473 2.104 10 0 EEAEHO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC000854734952 1292932824 /nfs/dbraw/zinc/93/28/24/1292932824.db2.gz GNAGFVHFFCQAPG-MSOLQXFVSA-N 1 3 325.472 2.143 10 0 EEAEHO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC000854734952 1292932825 /nfs/dbraw/zinc/93/28/25/1292932825.db2.gz GNAGFVHFFCQAPG-MSOLQXFVSA-N 1 3 325.472 2.143 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(F)(F)Cc1ccccc1 ZINC000855347188 1293184405 /nfs/dbraw/zinc/18/44/05/1293184405.db2.gz XOVLPQKYFKLPEP-HNNXBMFYSA-N 1 3 341.446 2.253 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(F)(F)Cc1ccccc1 ZINC000855347188 1293184413 /nfs/dbraw/zinc/18/44/13/1293184413.db2.gz XOVLPQKYFKLPEP-HNNXBMFYSA-N 1 3 341.446 2.253 10 0 EEAEHO CN1CC[C@H]([NH2+]C2CN(C(=O)OCc3ccccc3)C2)CC1(C)C ZINC000858178915 1294033965 /nfs/dbraw/zinc/03/39/65/1294033965.db2.gz UUBZHNAAWNUCNO-INIZCTEOSA-N 1 3 331.460 2.470 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCF)C1CCCC1 ZINC001278276501 1308950071 /nfs/dbraw/zinc/95/00/71/1308950071.db2.gz WGXLERWHSNLHBE-IAGOWNOFSA-N 1 3 327.488 2.483 10 0 EEAEHO Cc1cccc(OCC[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)c1 ZINC001278326947 1309460210 /nfs/dbraw/zinc/46/02/10/1309460210.db2.gz YDGICFWEAZYPNH-IEBWSBKVSA-N 1 3 347.503 2.293 10 0 EEAEHO C[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCF)C1)N1CCCCCC1 ZINC001264481365 1322708588 /nfs/dbraw/zinc/70/85/88/1322708588.db2.gz SIHYSTZRESKLDG-YESZJQIVSA-N 1 3 327.488 2.485 10 0 EEAEHO O=C(N[C@@H]1CCCN(CCCCCF)C1)C12CCC[NH+]1CCC2 ZINC001266224930 1323798438 /nfs/dbraw/zinc/79/84/38/1323798438.db2.gz GNTONLLJLHLABL-MRXNPFEDSA-N 1 3 325.472 2.335 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cccc(OC)c2)C1)N(C)C ZINC001280263801 1324134443 /nfs/dbraw/zinc/13/44/43/1324134443.db2.gz MRJOUOANMHFPBR-QFBILLFUSA-N 1 3 347.503 2.364 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cnn(C)c1 ZINC001283249351 1325971014 /nfs/dbraw/zinc/97/10/14/1325971014.db2.gz SEGMILFXZHHCPH-FUHWJXTLSA-N 1 3 349.523 2.058 10 0 EEAEHO Cc1cnc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CN(C)C(C)C)C2)s1 ZINC001491896165 1330294154 /nfs/dbraw/zinc/29/41/54/1330294154.db2.gz KVPZLRHBJIPQMR-HUUCEWRRSA-N 1 3 338.521 2.309 10 0 EEAEHO CN(CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)CCc1ccccc1 ZINC001492450341 1331262766 /nfs/dbraw/zinc/26/27/66/1331262766.db2.gz NKQYYHKOOQLHNC-RTBURBONSA-N 1 3 329.488 2.294 10 0 EEAEHO CN(CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)CCc1ccccc1 ZINC001492450341 1331262768 /nfs/dbraw/zinc/26/27/68/1331262768.db2.gz NKQYYHKOOQLHNC-RTBURBONSA-N 1 3 329.488 2.294 10 0 EEAEHO CN(CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)Cc1ccccn1 ZINC001316827751 1331917470 /nfs/dbraw/zinc/91/74/70/1331917470.db2.gz CDSLTIJLLSTMIY-IBGZPJMESA-N 1 3 344.503 2.427 10 0 EEAEHO CN(CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)Cc1ccccn1 ZINC001316827751 1331917472 /nfs/dbraw/zinc/91/74/72/1331917472.db2.gz CDSLTIJLLSTMIY-IBGZPJMESA-N 1 3 344.503 2.427 10 0 EEAEHO CN(C)c1ccccc1CN1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001316992172 1332034469 /nfs/dbraw/zinc/03/44/69/1332034469.db2.gz XGRSRZDNGQJWOB-SFHVURJKSA-N 1 3 346.519 2.175 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCCc3ccccc3)C2)C1 ZINC001317338808 1332185282 /nfs/dbraw/zinc/18/52/82/1332185282.db2.gz PUSGDQFQLDAVJZ-ICSRJNTNSA-N 1 3 343.515 2.399 10 0 EEAEHO CN(CC[NH2+]Cc1ccc2ccccc2c1)C(=O)CN1CCCC1 ZINC001317662564 1332357047 /nfs/dbraw/zinc/35/70/47/1332357047.db2.gz YLFRZNXRFRYCJG-UHFFFAOYSA-N 1 3 325.456 2.484 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)NC2(C[NH2+]CCF)CCCC2)C1 ZINC001318653550 1332572777 /nfs/dbraw/zinc/57/27/77/1332572777.db2.gz ICWOTYWKOGTXLJ-KRWDZBQOSA-N 1 3 331.451 2.187 10 0 EEAEHO Cc1cc(CNCC[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)on1 ZINC001320593377 1332917619 /nfs/dbraw/zinc/91/76/19/1332917619.db2.gz BCGJOZOBJZXIRC-CQSZACIVSA-N 1 3 336.480 2.088 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCc2cnc(C)s2)CC[N@@H+]1C ZINC001320736811 1332943104 /nfs/dbraw/zinc/94/31/04/1332943104.db2.gz HUPPAMRBUJSGGG-JKSUJKDBSA-N 1 3 338.521 2.120 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCc2cnc(C)s2)CC[N@H+]1C ZINC001320736811 1332943108 /nfs/dbraw/zinc/94/31/08/1332943108.db2.gz HUPPAMRBUJSGGG-JKSUJKDBSA-N 1 3 338.521 2.120 10 0 EEAEHO CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1cccc2cccnc21)N(C)C ZINC001321113392 1333022523 /nfs/dbraw/zinc/02/25/23/1333022523.db2.gz XWLNYOAWNSWHRB-OOFWQKGWSA-N 1 3 340.471 2.337 10 0 EEAEHO Cc1noc(C)c1CNCCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001322566382 1333284021 /nfs/dbraw/zinc/28/40/21/1333284021.db2.gz MBPVPOQMOJENKI-SJLPKXTDSA-N 1 3 348.491 2.246 10 0 EEAEHO Cc1noc(C)c1CNCCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001322566382 1333284026 /nfs/dbraw/zinc/28/40/26/1333284026.db2.gz MBPVPOQMOJENKI-SJLPKXTDSA-N 1 3 348.491 2.246 10 0 EEAEHO Cc1ncccc1C[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001326285221 1334059596 /nfs/dbraw/zinc/05/95/96/1334059596.db2.gz CFACTTKFQQDEQZ-QGZVFWFLSA-N 1 3 344.503 2.203 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@H](CC[NH2+]CCc3ccccc3)C2)C1 ZINC001326362816 1334076243 /nfs/dbraw/zinc/07/62/43/1334076243.db2.gz CTLPLBVSHJVZOI-ICSRJNTNSA-N 1 3 343.515 2.399 10 0 EEAEHO Cc1cnc(CNCCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC001330812240 1334907343 /nfs/dbraw/zinc/90/73/43/1334907343.db2.gz NTVLXBDHUPJJNB-CRAIPNDOSA-N 1 3 347.507 2.032 10 0 EEAEHO Cc1cnc(CNCCC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)cn1 ZINC001330812240 1334907344 /nfs/dbraw/zinc/90/73/44/1334907344.db2.gz NTVLXBDHUPJJNB-CRAIPNDOSA-N 1 3 347.507 2.032 10 0 EEAEHO C[C@H](CCC[NH2+]CC1CC(F)(F)C1)NC(=O)CN1CC[C@H](C)C1 ZINC001330919262 1334927354 /nfs/dbraw/zinc/92/73/54/1334927354.db2.gz UNVXBQGEAQLHGR-UONOGXRCSA-N 1 3 331.451 2.248 10 0 EEAEHO Cc1cncc(CN(CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)c1 ZINC001566601169 1342574164 /nfs/dbraw/zinc/57/41/64/1342574164.db2.gz ZKHHSNLOYKJWBE-KRWDZBQOSA-N 1 3 344.503 2.203 10 0 EEAEHO Cc1cncc(CN(CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)C2CC2)c1 ZINC001566601169 1342574168 /nfs/dbraw/zinc/57/41/68/1342574168.db2.gz ZKHHSNLOYKJWBE-KRWDZBQOSA-N 1 3 344.503 2.203 10 0 EEAEHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001567241276 1342715377 /nfs/dbraw/zinc/71/53/77/1342715377.db2.gz WGLPIOXFFORRCN-CYBMUJFWSA-N 1 3 326.872 2.060 10 0 EEAEHO Cc1cccnc1CN[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001570361615 1343061492 /nfs/dbraw/zinc/06/14/92/1343061492.db2.gz HBLOZMBUEBJTTN-AEFFLSMTSA-N 1 3 332.492 2.058 10 0 EEAEHO CC(C)CCN1CCO[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001570886910 1343129575 /nfs/dbraw/zinc/12/95/75/1343129575.db2.gz QZAMOTFQSOKISN-IBGZPJMESA-N 1 3 339.524 2.068 10 0 EEAEHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCc1ccnc(Cl)c1 ZINC001676461510 1357153137 /nfs/dbraw/zinc/15/31/37/1357153137.db2.gz MFEOAOAGHUOMLS-HIFRSBDPSA-N 1 3 338.883 2.013 10 0 EEAEHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1ccnc(Cl)c1 ZINC001676461510 1357153141 /nfs/dbraw/zinc/15/31/41/1357153141.db2.gz MFEOAOAGHUOMLS-HIFRSBDPSA-N 1 3 338.883 2.013 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCOCC)C(C)(C)C1 ZINC001677004575 1357260606 /nfs/dbraw/zinc/26/06/06/1357260606.db2.gz WKDLEALUKXFTKU-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCOC2CCCCCC2)C1 ZINC001661510744 1354647624 /nfs/dbraw/zinc/64/76/24/1354647624.db2.gz HPOMZSHNSHNRHM-QAQDUYKDSA-N 1 3 339.524 2.303 10 0 EEAEHO C[C@H](C(=O)NC[C@H](C)[NH2+]CCOc1ccccc1)N1CCCCCC1 ZINC001662349917 1354784554 /nfs/dbraw/zinc/78/45/54/1354784554.db2.gz GGULJNHLTUOJFE-ZWKOTPCHSA-N 1 3 347.503 2.424 10 0 EEAEHO CC(C)COCC[NH2+][C@@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001662766323 1354841236 /nfs/dbraw/zinc/84/12/36/1354841236.db2.gz ICXOCZXUFJOSFV-SJORKVTESA-N 1 3 339.524 2.160 10 0 EEAEHO CN(C)Cc1cccc(C(=O)N(C)CC[NH2+]CC[C@H]2CCCCO2)c1 ZINC001664392095 1355153075 /nfs/dbraw/zinc/15/30/75/1355153075.db2.gz XSIYTUDUZHBJDM-LJQANCHMSA-N 1 3 347.503 2.369 10 0 EEAEHO CC[C@H](C[NH2+]CC[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)OC ZINC001666115259 1355455921 /nfs/dbraw/zinc/45/59/21/1355455921.db2.gz LHMQVWAGEJFLEH-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]CCc1c(F)cccc1F ZINC001667060016 1355642591 /nfs/dbraw/zinc/64/25/91/1355642591.db2.gz YSJOJXMJTFYHFK-AWEZNQCLSA-N 1 3 341.446 2.284 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1nc(C)c(C)s1)N(C)C ZINC001668105886 1355872407 /nfs/dbraw/zinc/87/24/07/1355872407.db2.gz JJVKIKZIGCWATJ-BXUZGUMPSA-N 1 3 326.510 2.085 10 0 EEAEHO C[C@H](CCNCc1c(F)cccc1Cl)NC(=O)CC[NH+](C)C ZINC001668197182 1355897390 /nfs/dbraw/zinc/89/73/90/1355897390.db2.gz NFMKBIIEGHWCFZ-GFCCVEGCSA-N 1 3 329.847 2.415 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1ccc(F)cc1 ZINC001668854672 1356023983 /nfs/dbraw/zinc/02/39/83/1356023983.db2.gz UYSUVNHHVBCKFD-JXCVUKRWSA-N 1 3 333.451 2.462 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1ccc(F)cc1 ZINC001668854672 1356023989 /nfs/dbraw/zinc/02/39/89/1356023989.db2.gz UYSUVNHHVBCKFD-JXCVUKRWSA-N 1 3 333.451 2.462 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]Cc2ccccc2N(C)C)C1 ZINC001670245768 1356303038 /nfs/dbraw/zinc/30/30/38/1356303038.db2.gz CWAMJMATEHPBRQ-KRWDZBQOSA-N 1 3 346.519 2.033 10 0 EEAEHO Cc1oncc1CNCC[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001672915183 1356614354 /nfs/dbraw/zinc/61/43/54/1356614354.db2.gz FXPMNDVJCSHWGG-QGZVFWFLSA-N 1 3 348.491 2.187 10 0 EEAEHO Cc1nocc1CNCC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001698913653 1405156082 /nfs/dbraw/zinc/15/60/82/1405156082.db2.gz IAVKWKUXCKGCIH-KBAYOESNSA-N 1 3 348.491 2.184 10 0 EEAEHO Cc1nocc1CNCC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001698913653 1405156085 /nfs/dbraw/zinc/15/60/85/1405156085.db2.gz IAVKWKUXCKGCIH-KBAYOESNSA-N 1 3 348.491 2.184 10 0 EEAEHO Cc1nocc1CNCC[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001698916719 1405159530 /nfs/dbraw/zinc/15/95/30/1405159530.db2.gz LZGQGZZRDIWWQS-QGZVFWFLSA-N 1 3 336.480 2.186 10 0 EEAEHO CC(C)OCCC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001566075292 1125547831 /nfs/dbraw/zinc/54/78/31/1125547831.db2.gz RHJBGYIZIYHXNL-INIZCTEOSA-N 1 3 336.480 2.128 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC001436470715 1087932017 /nfs/dbraw/zinc/93/20/17/1087932017.db2.gz JIWUSWUWFRQOMK-GOSISDBHSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H](N[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)c1ccccc1F ZINC001436825272 1088427312 /nfs/dbraw/zinc/42/73/12/1088427312.db2.gz HGTLWOWLPQAUHC-KDOFPFPSSA-N 1 3 345.462 2.467 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H](CN(C)CCF)C2)C1 ZINC001436836580 1088463778 /nfs/dbraw/zinc/46/37/78/1088463778.db2.gz ATFZKQQHRXERFS-SJORKVTESA-N 1 3 327.488 2.248 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H](CN(C)CCF)C2)C1 ZINC001436836580 1088463781 /nfs/dbraw/zinc/46/37/81/1088463781.db2.gz ATFZKQQHRXERFS-SJORKVTESA-N 1 3 327.488 2.248 10 0 EEAEHO Cc1ncc(CN(C)C[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)s1 ZINC001436842754 1088480048 /nfs/dbraw/zinc/48/00/48/1088480048.db2.gz OKNPTSVZLMIPQP-OAHLLOKOSA-N 1 3 338.521 2.074 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001436935441 1088608949 /nfs/dbraw/zinc/60/89/49/1088608949.db2.gz NECXSQBSMNEQPH-WKILWMFISA-N 1 3 325.403 2.042 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@H+](Cc3cccnc3)CC[C@@H]21 ZINC001436946980 1088629347 /nfs/dbraw/zinc/62/93/47/1088629347.db2.gz VABDVTDAWAGNHH-OALUTQOASA-N 1 3 344.503 2.235 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@@H+](Cc3cccnc3)CC[C@@H]21 ZINC001436946980 1088629350 /nfs/dbraw/zinc/62/93/50/1088629350.db2.gz VABDVTDAWAGNHH-OALUTQOASA-N 1 3 344.503 2.235 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001437053973 1088948589 /nfs/dbraw/zinc/94/85/89/1088948589.db2.gz YPXHRSBDRJBYTD-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)OCC[N@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001439366539 1092092774 /nfs/dbraw/zinc/09/27/74/1092092774.db2.gz NACHMUSQVUCGMP-QAPCUYQASA-N 1 3 345.503 2.060 10 0 EEAEHO CC(C)OCC[N@@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001439366539 1092092780 /nfs/dbraw/zinc/09/27/80/1092092780.db2.gz NACHMUSQVUCGMP-QAPCUYQASA-N 1 3 345.503 2.060 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1([NH2+]CCC2CCCC2)CCOCC1 ZINC001439970263 1093084071 /nfs/dbraw/zinc/08/40/71/1093084071.db2.gz QEGCTHYHTRDTMW-UHFFFAOYSA-N 1 3 339.524 2.162 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001440378077 1093546077 /nfs/dbraw/zinc/54/60/77/1093546077.db2.gz ZNFMUDPTVBKWRA-NQNKBUKLSA-N 1 3 330.476 2.181 10 0 EEAEHO C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@H](C)NCc1ccnn1C ZINC001440820333 1094072811 /nfs/dbraw/zinc/07/28/11/1094072811.db2.gz YLONPQPWIAXDCW-JKSUJKDBSA-N 1 3 349.523 2.058 10 0 EEAEHO C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)[C@H](C)NCc1ccnn1C ZINC001440820333 1094072818 /nfs/dbraw/zinc/07/28/18/1094072818.db2.gz YLONPQPWIAXDCW-JKSUJKDBSA-N 1 3 349.523 2.058 10 0 EEAEHO Cc1ccc(CN(C)[C@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1F ZINC001440923013 1094177039 /nfs/dbraw/zinc/17/70/39/1094177039.db2.gz HWFLGLHRYUVVGS-CRAIPNDOSA-N 1 3 347.478 2.412 10 0 EEAEHO Cc1ccc(F)cc1CN(C)[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001440997033 1094266794 /nfs/dbraw/zinc/26/67/94/1094266794.db2.gz HBXYXMOCQAXGPW-HOTGVXAUSA-N 1 3 335.467 2.412 10 0 EEAEHO Cc1ccc(F)cc1CN(C)[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001440997033 1094266799 /nfs/dbraw/zinc/26/67/99/1094266799.db2.gz HBXYXMOCQAXGPW-HOTGVXAUSA-N 1 3 335.467 2.412 10 0 EEAEHO CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(C)nc1C)C1CC1)N(C)C ZINC001441474030 1095140322 /nfs/dbraw/zinc/14/03/22/1095140322.db2.gz PASUCUARNFUQRY-OALUTQOASA-N 1 3 346.519 2.365 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001441546207 1095270137 /nfs/dbraw/zinc/27/01/37/1095270137.db2.gz FJSINDLWVDECJL-KFWWJZLASA-N 1 3 331.451 2.389 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001442056062 1096269042 /nfs/dbraw/zinc/26/90/42/1096269042.db2.gz ASQZMPFTVWPMOK-NVXWUHKLSA-N 1 3 349.523 2.107 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001442112458 1096342923 /nfs/dbraw/zinc/34/29/23/1096342923.db2.gz WZWAOKHHMMJJBK-WMZOPIPTSA-N 1 3 333.451 2.344 10 0 EEAEHO CN1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H]1CCc2ccc(Cl)cc21 ZINC001442382496 1096705170 /nfs/dbraw/zinc/70/51/70/1096705170.db2.gz UDZIVRFLNZTQPK-SJORKVTESA-N 1 3 335.879 2.470 10 0 EEAEHO CN1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H]1CCc2ccc(Cl)cc21 ZINC001442382496 1096705174 /nfs/dbraw/zinc/70/51/74/1096705174.db2.gz UDZIVRFLNZTQPK-SJORKVTESA-N 1 3 335.879 2.470 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC001442911936 1097318557 /nfs/dbraw/zinc/31/85/57/1097318557.db2.gz WCFDJQPFHUIZEU-VQIMIIECSA-N 1 3 329.488 2.452 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001442911936 1097318562 /nfs/dbraw/zinc/31/85/62/1097318562.db2.gz WCFDJQPFHUIZEU-VQIMIIECSA-N 1 3 329.488 2.452 10 0 EEAEHO CCc1ccccc1CN1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001443631111 1098125802 /nfs/dbraw/zinc/12/58/02/1098125802.db2.gz WGDOPCOPVHMNJP-INIZCTEOSA-N 1 3 329.488 2.139 10 0 EEAEHO CCc1ccccc1CN1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001443631111 1098125809 /nfs/dbraw/zinc/12/58/09/1098125809.db2.gz WGDOPCOPVHMNJP-INIZCTEOSA-N 1 3 329.488 2.139 10 0 EEAEHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1c(C)nsc1C ZINC001443934066 1098453829 /nfs/dbraw/zinc/45/38/29/1098453829.db2.gz NHAIVSFOYFQICT-AWEZNQCLSA-N 1 3 338.521 2.229 10 0 EEAEHO CN(C(=O)NC[C@@H]1CCCCN1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001479490574 1098563483 /nfs/dbraw/zinc/56/34/83/1098563483.db2.gz KURRHQYGCSEASA-RBUKOAKNSA-N 1 3 344.503 2.387 10 0 EEAEHO CN(C(=O)NC[C@@H]1CCCCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001479490574 1098563487 /nfs/dbraw/zinc/56/34/87/1098563487.db2.gz KURRHQYGCSEASA-RBUKOAKNSA-N 1 3 344.503 2.387 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCCCC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001479692158 1098755385 /nfs/dbraw/zinc/75/53/85/1098755385.db2.gz JKBUYKLXNTUZNZ-GFCCVEGCSA-N 1 3 332.370 2.265 10 0 EEAEHO CCOCCCN1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001479906082 1099294749 /nfs/dbraw/zinc/29/47/49/1099294749.db2.gz LPAKUWILSVSSAR-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CCOCCCN1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001479906082 1099294754 /nfs/dbraw/zinc/29/47/54/1099294754.db2.gz LPAKUWILSVSSAR-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1([NH2+]C[C@@H]2CCO[C@@H](C)C2)CCCC1 ZINC001444540005 1099319749 /nfs/dbraw/zinc/31/97/49/1099319749.db2.gz YAEFXGUWBSLBAU-DLBZAZTESA-N 1 3 339.524 2.160 10 0 EEAEHO C[N@H+](CC[C@@H]1CCCCO1)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001480083368 1099634685 /nfs/dbraw/zinc/63/46/85/1099634685.db2.gz CLKIBOLUBRNSFE-AEFFLSMTSA-N 1 3 348.491 2.082 10 0 EEAEHO C[N@@H+](CC[C@@H]1CCCCO1)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001480083368 1099634689 /nfs/dbraw/zinc/63/46/89/1099634689.db2.gz CLKIBOLUBRNSFE-AEFFLSMTSA-N 1 3 348.491 2.082 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccn(C(C)C)n2)[C@H](C)C1 ZINC001444792111 1099704794 /nfs/dbraw/zinc/70/47/94/1099704794.db2.gz QXCBOPAUNOBHHT-AEFFLSMTSA-N 1 3 349.523 2.131 10 0 EEAEHO COc1cccc([C@@H](C)N(C)CCN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001445026080 1100188016 /nfs/dbraw/zinc/18/80/16/1100188016.db2.gz IOENIDVLWNFEQD-MRXNPFEDSA-N 1 3 347.503 2.488 10 0 EEAEHO Cc1ccc(CN[C@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)c(C)n1 ZINC001480562519 1100405164 /nfs/dbraw/zinc/40/51/64/1100405164.db2.gz QEJYVUNWLITXEI-MRXNPFEDSA-N 1 3 346.519 2.413 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]C[C@H]2CC(C)(C)CO2)CCCC1 ZINC001495205038 1100885925 /nfs/dbraw/zinc/88/59/25/1100885925.db2.gz QUHYJIXICJQKLF-OAHLLOKOSA-N 1 3 348.491 2.094 10 0 EEAEHO Cc1nocc1CNCC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001496415376 1101008515 /nfs/dbraw/zinc/00/85/15/1101008515.db2.gz TWMQKECAVQPQEQ-WMZOPIPTSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1nocc1CNCC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001496415376 1101008525 /nfs/dbraw/zinc/00/85/25/1101008525.db2.gz TWMQKECAVQPQEQ-WMZOPIPTSA-N 1 3 348.491 2.186 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+]C[C@@H]1CCCCO1 ZINC001496418953 1101012661 /nfs/dbraw/zinc/01/26/61/1101012661.db2.gz MCNGMULVFZVLOS-ROUUACIJSA-N 1 3 339.524 2.258 10 0 EEAEHO Cc1cc(CNC[C@]2(C)CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)on1 ZINC001446577200 1101064007 /nfs/dbraw/zinc/06/40/07/1101064007.db2.gz DPJGTDXVOLQOJW-APWZRJJASA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1cc(CNC[C@]2(C)CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)on1 ZINC001446577200 1101064015 /nfs/dbraw/zinc/06/40/15/1101064015.db2.gz DPJGTDXVOLQOJW-APWZRJJASA-N 1 3 348.491 2.186 10 0 EEAEHO C[C@@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)[C@H]1CCCN1C ZINC001496028723 1101952140 /nfs/dbraw/zinc/95/21/40/1101952140.db2.gz SXKMWNRNCBDKEL-MAUKXSAKSA-N 1 3 335.467 2.289 10 0 EEAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\CNCc1cccc(F)c1 ZINC001497598125 1102724505 /nfs/dbraw/zinc/72/45/05/1102724505.db2.gz ACLPMHYMFMKSKW-LHRDXKRPSA-N 1 3 333.451 2.462 10 0 EEAEHO C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C\CNCc1cccc(F)c1 ZINC001497598125 1102724512 /nfs/dbraw/zinc/72/45/12/1102724512.db2.gz ACLPMHYMFMKSKW-LHRDXKRPSA-N 1 3 333.451 2.462 10 0 EEAEHO CCCN(C)CC(=O)N1CCC(C)([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC001447564575 1102872133 /nfs/dbraw/zinc/87/21/33/1102872133.db2.gz KTFSWMHVIJPFSL-KRWDZBQOSA-N 1 3 339.524 2.258 10 0 EEAEHO Cc1ncc(CN2CC[C@H](CCNC(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC001494057468 1103443199 /nfs/dbraw/zinc/44/31/99/1103443199.db2.gz UDIUCOBMRAVVRM-KRWDZBQOSA-N 1 3 348.491 2.043 10 0 EEAEHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)C/C=C\c1ccccc1 ZINC001448136450 1104081647 /nfs/dbraw/zinc/08/16/47/1104081647.db2.gz QOYZBDDPSGKYJY-SKHCZCESSA-N 1 3 327.472 2.232 10 0 EEAEHO Cc1cccc(C[NH+]2CC([C@@H](C)NC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001448315099 1104371853 /nfs/dbraw/zinc/37/18/53/1104371853.db2.gz FCBNMEYONUQJMP-DLBZAZTESA-N 1 3 329.488 2.273 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(F)cc(Cl)c1N ZINC001453206926 1106027461 /nfs/dbraw/zinc/02/74/61/1106027461.db2.gz AWMXIYSTPZTDGA-NSHDSACASA-N 1 3 344.862 2.063 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(F)cc(Cl)c1N ZINC001453206926 1106027463 /nfs/dbraw/zinc/02/74/63/1106027463.db2.gz AWMXIYSTPZTDGA-NSHDSACASA-N 1 3 344.862 2.063 10 0 EEAEHO CN(C)C1(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)CCCC1 ZINC001466193276 1110431528 /nfs/dbraw/zinc/43/15/28/1110431528.db2.gz ZVTXIZIQKSYYHA-MRXNPFEDSA-N 1 3 345.491 2.035 10 0 EEAEHO CC(C)OCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001479328499 1110681602 /nfs/dbraw/zinc/68/16/02/1110681602.db2.gz NZIAHKCVVARPSM-KSZLIROESA-N 1 3 339.524 2.159 10 0 EEAEHO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](NCc2cc(C)ccc2F)C1 ZINC001479333649 1110682682 /nfs/dbraw/zinc/68/26/82/1110682682.db2.gz QBADNBZTXVZSOF-WOVMCDHWSA-N 1 3 335.467 2.460 10 0 EEAEHO CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H](NCc2cc(C)ccc2F)C1 ZINC001479333649 1110682683 /nfs/dbraw/zinc/68/26/83/1110682683.db2.gz QBADNBZTXVZSOF-WOVMCDHWSA-N 1 3 335.467 2.460 10 0 EEAEHO Cc1ncsc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001501091743 1113196196 /nfs/dbraw/zinc/19/61/96/1113196196.db2.gz QAYLVPNVWZSSJN-DZGCQCFKSA-N 1 3 338.521 2.118 10 0 EEAEHO CN(CC(=O)N1CC[C@H](CC[NH2+]CC2CC(F)(F)C2)C1)C1CCC1 ZINC001501579046 1113389848 /nfs/dbraw/zinc/38/98/48/1113389848.db2.gz WONGLSZVJRYNFY-AWEZNQCLSA-N 1 3 343.462 2.344 10 0 EEAEHO CC(C)[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccns2)C1)N(C)C ZINC001501640684 1113411266 /nfs/dbraw/zinc/41/12/66/1113411266.db2.gz HRQSFRQWHIVOQK-ZBFHGGJFSA-N 1 3 338.521 2.058 10 0 EEAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1(NCc2cncc(F)c2)CCC1 ZINC001501964610 1113539748 /nfs/dbraw/zinc/53/97/48/1113539748.db2.gz ZFSFNDYEHSMQFB-QGZVFWFLSA-N 1 3 348.466 2.224 10 0 EEAEHO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1(NCc2cncc(F)c2)CCC1 ZINC001501964610 1113539750 /nfs/dbraw/zinc/53/97/50/1113539750.db2.gz ZFSFNDYEHSMQFB-QGZVFWFLSA-N 1 3 348.466 2.224 10 0 EEAEHO O=C(NCC1(NCc2cncs2)CCC1)C12CCC[NH+](CCC1)C2 ZINC001501968348 1113541213 /nfs/dbraw/zinc/54/12/13/1113541213.db2.gz MGIOVAPNMLAKQD-UHFFFAOYSA-N 1 3 348.516 2.148 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC001506001662 1114333433 /nfs/dbraw/zinc/33/34/33/1114333433.db2.gz FWHDXCNJUYIBFC-SJORKVTESA-N 1 3 343.515 2.454 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC001506001662 1114333439 /nfs/dbraw/zinc/33/34/39/1114333439.db2.gz FWHDXCNJUYIBFC-SJORKVTESA-N 1 3 343.515 2.454 10 0 EEAEHO Cc1cccnc1C[NH2+][C@H](CCNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001506987024 1115033430 /nfs/dbraw/zinc/03/34/30/1115033430.db2.gz LVQMCZQPNLNOPN-QGZVFWFLSA-N 1 3 346.519 2.495 10 0 EEAEHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001507146875 1115133148 /nfs/dbraw/zinc/13/31/48/1115133148.db2.gz DRPHBEYDAWFGEP-JSGCOSHPSA-N 1 3 326.872 2.012 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001507161420 1115141313 /nfs/dbraw/zinc/14/13/13/1115141313.db2.gz JYHMLOYIDFPAGO-ZDUSSCGKSA-N 1 3 326.872 2.012 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)nc2C)C[C@@H]1C ZINC001507329487 1115195723 /nfs/dbraw/zinc/19/57/23/1115195723.db2.gz VJWOOWIFUJLSJJ-YJBOKZPZSA-N 1 3 332.492 2.119 10 0 EEAEHO CCOCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001507401864 1115252154 /nfs/dbraw/zinc/25/21/54/1115252154.db2.gz PZLPKLFEPCOVEJ-IAGOWNOFSA-N 1 3 339.524 2.162 10 0 EEAEHO CC[C@H](F)CN[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001507440037 1115270167 /nfs/dbraw/zinc/27/01/67/1115270167.db2.gz NGTADBSJKQDABE-JKSUJKDBSA-N 1 3 339.499 2.437 10 0 EEAEHO Cc1cncc(CN2CCC([C@H](C)NC(=O)CC[NH+](C)C)CC2)c1 ZINC001508082376 1115415256 /nfs/dbraw/zinc/41/52/56/1115415256.db2.gz HASRKYNRVTTXHM-INIZCTEOSA-N 1 3 332.492 2.058 10 0 EEAEHO CC[C@H](C(=O)N1CCC2(C[NH+](CCCOC(C)C)C2)CC1)N(C)C ZINC001568250426 1124385987 /nfs/dbraw/zinc/38/59/87/1124385987.db2.gz GMFXUSNQQLKOGT-QGZVFWFLSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1cnc(CNCC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001568664510 1124678292 /nfs/dbraw/zinc/67/82/92/1124678292.db2.gz NIDPZOCZFQVBOH-ZDUSSCGKSA-N 1 3 338.521 2.310 10 0 EEAEHO O=C(NC/C=C/CNCc1ccsc1)C12CCC[NH+](CCC1)C2 ZINC001568870965 1124897347 /nfs/dbraw/zinc/89/73/47/1124897347.db2.gz IJUKWXONFXXHEV-OWOJBTEDSA-N 1 3 333.501 2.386 10 0 EEAEHO CN(C[C@H]1CC[N@H+](C)C1)[C@@H](CN)c1cc(Br)ccc1F ZINC000071188478 202341376 /nfs/dbraw/zinc/34/13/76/202341376.db2.gz HGYLZTXTIGZMGP-NHYWBVRUSA-N 1 3 344.272 2.472 10 0 EEAEHO CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](CN)c1cc(Br)ccc1F ZINC000071188478 202341379 /nfs/dbraw/zinc/34/13/79/202341379.db2.gz HGYLZTXTIGZMGP-NHYWBVRUSA-N 1 3 344.272 2.472 10 0 EEAEHO Cn1cc(N2CCC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cn1 ZINC000422784010 240224671 /nfs/dbraw/zinc/22/46/71/240224671.db2.gz PCGGXVOLMVEHKM-GDAAHCPNSA-N 1 3 331.508 2.289 10 0 EEAEHO C[NH+](C)[C@]1(CNC(=O)c2cccc(CN3CCCC3)c2)CCSC1 ZINC000267165783 256033989 /nfs/dbraw/zinc/03/39/89/256033989.db2.gz ZVNYXCRLGDQKOS-IBGZPJMESA-N 1 3 347.528 2.450 10 0 EEAEHO C[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000110702328 159362376 /nfs/dbraw/zinc/36/23/76/159362376.db2.gz NTSRYWMVRIRAFU-XLIONFOSSA-N 1 3 343.515 2.492 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2CCC[C@@H]([NH+](C)C)C2)[C@H]1c1ccccc1 ZINC000248132048 160339078 /nfs/dbraw/zinc/33/90/78/160339078.db2.gz WQKMFPKSWAKMAJ-KZNAEPCWSA-N 1 3 330.476 2.167 10 0 EEAEHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000352442885 162136985 /nfs/dbraw/zinc/13/69/85/162136985.db2.gz ZAEJZTSQLIMYLK-KGLIPLIRSA-N 1 3 335.414 2.251 10 0 EEAEHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000352442885 162136989 /nfs/dbraw/zinc/13/69/89/162136989.db2.gz ZAEJZTSQLIMYLK-KGLIPLIRSA-N 1 3 335.414 2.251 10 0 EEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000352528271 162172795 /nfs/dbraw/zinc/17/27/95/162172795.db2.gz ARIBXCNSYZMXMR-INIZCTEOSA-N 1 3 326.529 2.384 10 0 EEAEHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000125141669 222525801 /nfs/dbraw/zinc/52/58/01/222525801.db2.gz FJLXMAKDNUBDGK-AWEZNQCLSA-N 1 3 339.505 2.249 10 0 EEAEHO Cc1n[nH]c(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n1 ZINC000278631357 269237681 /nfs/dbraw/zinc/23/76/81/269237681.db2.gz GWIOHTSOONZMFN-NNZMDNLPSA-N 1 3 325.460 2.441 10 0 EEAEHO C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1cnccc1N ZINC000423027437 290063714 /nfs/dbraw/zinc/06/37/14/290063714.db2.gz OZMWDTUBVSLUTB-DZGCQCFKSA-N 1 3 326.448 2.203 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@@H+]1C ZINC000173326236 297257345 /nfs/dbraw/zinc/25/73/45/297257345.db2.gz VGGKQYVBMFUREN-NJAFHUGGSA-N 1 3 332.492 2.413 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@H+]1C ZINC000173326236 297257348 /nfs/dbraw/zinc/25/73/48/297257348.db2.gz VGGKQYVBMFUREN-NJAFHUGGSA-N 1 3 332.492 2.413 10 0 EEAEHO CN(CCCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416879016 313346071 /nfs/dbraw/zinc/34/60/71/313346071.db2.gz WTBXKFHSYFEBHM-HXUWFJFHSA-N 1 3 344.503 2.294 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000416928252 313363414 /nfs/dbraw/zinc/36/34/14/313363414.db2.gz ULTLHYICTDJHKR-GRDNDAEWSA-N 1 3 336.480 2.113 10 0 EEAEHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccco1 ZINC000418173568 313735537 /nfs/dbraw/zinc/73/55/37/313735537.db2.gz YOQATUYSIVLLSK-ZJIFWQFVSA-N 1 3 334.464 2.102 10 0 EEAEHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])N(C)C)cc1 ZINC000418203745 313747916 /nfs/dbraw/zinc/74/79/16/313747916.db2.gz KOIDYOSXQQKZKH-CPUCHLNUSA-N 1 3 336.480 2.111 10 0 EEAEHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)COC2CCC([NH3+])CC2)C1 ZINC000565771826 319212544 /nfs/dbraw/zinc/21/25/44/319212544.db2.gz HWHLJTWEKPCIRX-WEOZKBJRSA-N 1 3 345.487 2.225 10 0 EEAEHO CCCC(=O)NC[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000577117187 320233417 /nfs/dbraw/zinc/23/34/17/320233417.db2.gz PYRMQXOLXGKHBF-KRWDZBQOSA-N 1 3 329.488 2.461 10 0 EEAEHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCCSC2)cc1 ZINC000183608156 323412073 /nfs/dbraw/zinc/41/20/73/323412073.db2.gz UCTZTUOMUBMQJL-SFHVURJKSA-N 1 3 347.528 2.497 10 0 EEAEHO [NH3+]C[C@@H](NC(=O)N1CCN2CCC1CC2)c1ccc2ccccc2c1 ZINC000581874310 324333242 /nfs/dbraw/zinc/33/32/42/324333242.db2.gz FDYKZZISWVGPAE-LJQANCHMSA-N 1 3 338.455 2.329 10 0 EEAEHO CC[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1c(C)nn(C)c1C ZINC000337316802 465302462 /nfs/dbraw/zinc/30/24/62/465302462.db2.gz KVXPUIBYZPDHLP-SFHVURJKSA-N 1 3 335.540 2.494 10 0 EEAEHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CN(C)C)c2ccccc2)C1 ZINC000054509976 463240173 /nfs/dbraw/zinc/24/01/73/463240173.db2.gz KRWBVTWZINJVHG-AEFFLSMTSA-N 1 3 332.492 2.320 10 0 EEAEHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](CN(C)C)c2ccccc2)C1 ZINC000054509976 463240177 /nfs/dbraw/zinc/24/01/77/463240177.db2.gz KRWBVTWZINJVHG-AEFFLSMTSA-N 1 3 332.492 2.320 10 0 EEAEHO CCc1noc(C)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000122290367 463252836 /nfs/dbraw/zinc/25/28/36/463252836.db2.gz MVMSPCLAGKSXSN-UHFFFAOYSA-N 1 3 349.479 2.226 10 0 EEAEHO COc1cccc([C@H](C)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000262201666 463971195 /nfs/dbraw/zinc/97/11/95/463971195.db2.gz KLIUFADUMACDMS-TXPKVOOTSA-N 1 3 345.487 2.336 10 0 EEAEHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179152217 464068250 /nfs/dbraw/zinc/06/82/50/464068250.db2.gz IVOSDGAPYGIEKB-CGTJXYLNSA-N 1 3 332.492 2.461 10 0 EEAEHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179152217 464068256 /nfs/dbraw/zinc/06/82/56/464068256.db2.gz IVOSDGAPYGIEKB-CGTJXYLNSA-N 1 3 332.492 2.461 10 0 EEAEHO CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245627497 464500725 /nfs/dbraw/zinc/50/07/25/464500725.db2.gz GVVUYEQVZYCKED-OALUTQOASA-N 1 3 344.503 2.415 10 0 EEAEHO O=C(CC1(N2CCOCC2)CCCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371226118 465655972 /nfs/dbraw/zinc/65/59/72/465655972.db2.gz AOTDPARFHXFWCF-MSOLQXFVSA-N 1 3 349.519 2.012 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@H](NCCc2cccc(OC)n2)[C@@H](C)C1 ZINC000361925645 466413450 /nfs/dbraw/zinc/41/34/50/466413450.db2.gz ITUVEJWOAXEOCP-WMZOPIPTSA-N 1 3 335.492 2.359 10 0 EEAEHO CCOCCC[N@H+]1CC[C@H](NCCc2cccc(OC)n2)[C@@H](C)C1 ZINC000361925645 466413458 /nfs/dbraw/zinc/41/34/58/466413458.db2.gz ITUVEJWOAXEOCP-WMZOPIPTSA-N 1 3 335.492 2.359 10 0 EEAEHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCN1CCc2c(Cl)cccc2C1 ZINC000423057613 466690733 /nfs/dbraw/zinc/69/07/33/466690733.db2.gz HNKGGUYPXYHJDK-OWQGQXMQSA-N 1 3 337.895 2.040 10 0 EEAEHO CCC[C@@H]1CNCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417930741 466989998 /nfs/dbraw/zinc/98/99/98/466989998.db2.gz BEYSKIWJKQOKMY-KURKYZTESA-N 1 3 330.476 2.215 10 0 EEAEHO CCC[C@@H]1CNCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000417930741 466990003 /nfs/dbraw/zinc/99/00/03/466990003.db2.gz BEYSKIWJKQOKMY-KURKYZTESA-N 1 3 330.476 2.215 10 0 EEAEHO CN(C(=O)NCCC[C@H]1CCC[NH2+]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418773093 467157506 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CC(C)[C@@H](Cn1cccn1)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000453119771 467461520 /nfs/dbraw/zinc/46/15/20/467461520.db2.gz MRTZVNLSMUMZLG-LJQANCHMSA-N 1 3 347.551 2.448 10 0 EEAEHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000420813800 467488500 /nfs/dbraw/zinc/48/85/00/467488500.db2.gz HOBVDEIOKRYBCS-RCCFBDPRSA-N 1 3 330.476 2.167 10 0 EEAEHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000420813800 467488503 /nfs/dbraw/zinc/48/85/03/467488503.db2.gz HOBVDEIOKRYBCS-RCCFBDPRSA-N 1 3 330.476 2.167 10 0 EEAEHO C[C@H](CN1CCOCC1)NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449080965 467616840 /nfs/dbraw/zinc/61/68/40/467616840.db2.gz ARSUAFNBIHOSBT-RTBURBONSA-N 1 3 345.531 2.392 10 0 EEAEHO COCCN(C)CC[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449112863 467618983 /nfs/dbraw/zinc/61/89/83/467618983.db2.gz TZXNYJASUPBODN-GOSISDBHSA-N 1 3 333.520 2.250 10 0 EEAEHO COCCN(C)CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449112863 467618984 /nfs/dbraw/zinc/61/89/84/467618984.db2.gz TZXNYJASUPBODN-GOSISDBHSA-N 1 3 333.520 2.250 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)N3CC[C@H](C)[C@H]([NH3+])[C@@H]3C)cc2)CC1 ZINC000457363803 467808637 /nfs/dbraw/zinc/80/86/37/467808637.db2.gz PEANNOGRIFZODZ-BXWFABGCSA-N 1 3 344.503 2.026 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(-c2cscn2)c1 ZINC000530880671 468015240 /nfs/dbraw/zinc/01/52/40/468015240.db2.gz CCFOIWIMCOCONU-UHFFFAOYSA-N 1 3 346.500 2.376 10 0 EEAEHO CCOC(=O)C1CCC(O)(CNC2CC([NH+]3CCCCC3)C2)CC1 ZINC000518966681 468132426 /nfs/dbraw/zinc/13/24/26/468132426.db2.gz WEDMQRACNJNTHW-UHFFFAOYSA-N 1 3 338.492 2.077 10 0 EEAEHO C[C@@H](CN1CCCCC1)NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000567731183 468198284 /nfs/dbraw/zinc/19/82/84/468198284.db2.gz GXOCICNLAKZCSS-YJBOKZPZSA-N 1 3 330.476 2.129 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)N3CCC(CC[NH3+])CC3)cc2)CC1 ZINC000578543163 468215937 /nfs/dbraw/zinc/21/59/37/468215937.db2.gz YIPZAHGDYGRGMU-UHFFFAOYSA-N 1 3 344.503 2.030 10 0 EEAEHO C[C@@H](CSCCF)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000595031221 468746148 /nfs/dbraw/zinc/74/61/48/468746148.db2.gz ATVRYEWEABVYFB-YOEHRIQHSA-N 1 3 326.481 2.434 10 0 EEAEHO CC(C)C(=O)NC[C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000571410918 468786049 /nfs/dbraw/zinc/78/60/49/468786049.db2.gz LRLGITAFEDPRLV-QGZVFWFLSA-N 1 3 329.488 2.317 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@H]3CC3(F)F)CC2)CC1 ZINC000622195837 469403259 /nfs/dbraw/zinc/40/32/59/469403259.db2.gz WZSSSYAQEKEZLZ-HNNXBMFYSA-N 1 3 343.462 2.344 10 0 EEAEHO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCCN(C)C2)c1 ZINC000604179238 469461688 /nfs/dbraw/zinc/46/16/88/469461688.db2.gz REECLRPBAXLESD-GOSISDBHSA-N 1 3 332.492 2.162 10 0 EEAEHO C[N@@H+]1CC[C@@H](NCCN2CCN(c3ccc(F)cc3)CC2)CC1(C)C ZINC000623351138 469632164 /nfs/dbraw/zinc/63/21/64/469632164.db2.gz CJALLEKQYXKOQO-GOSISDBHSA-N 1 3 348.510 2.410 10 0 EEAEHO C[N@H+]1CC[C@@H](NCCN2CCN(c3ccc(F)cc3)CC2)CC1(C)C ZINC000623351138 469632171 /nfs/dbraw/zinc/63/21/71/469632171.db2.gz 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CN(CCC[NH2+]Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCCCN1C ZINC001268801290 1183717082 /nfs/dbraw/zinc/71/70/82/1183717082.db2.gz DYERRJVZBPQVNV-QGZVFWFLSA-N 1 3 339.430 2.387 10 0 EEAEHO C[C@@](CNCC=C(Cl)Cl)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001269645947 1184472547 /nfs/dbraw/zinc/47/25/47/1184472547.db2.gz SARSGVMMPZDIGA-HNNXBMFYSA-N 1 3 346.302 2.276 10 0 EEAEHO C[C@@H](C[NH2+]Cc1ccc(Cl)nc1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001482292587 1185129733 /nfs/dbraw/zinc/12/97/33/1185129733.db2.gz ROBFOLFQYATODE-ZDUSSCGKSA-N 1 3 338.883 2.156 10 0 EEAEHO C[C@@H]([NH2+]CCCc1ccccc1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001271529399 1186293421 /nfs/dbraw/zinc/29/34/21/1186293421.db2.gz FLPKCFKSQNHTIN-AEFFLSMTSA-N 1 3 340.471 2.412 10 0 EEAEHO CN(CC[N@H+](C)CC[C@@H]1CC1(Cl)Cl)C(=O)[C@@H]1CCCN1C ZINC001271977963 1186747226 /nfs/dbraw/zinc/74/72/26/1186747226.db2.gz WHHWHVIALYAUQE-OLZOCXBDSA-N 1 3 336.307 2.055 10 0 EEAEHO CN(CC[N@@H+](C)CC[C@@H]1CC1(Cl)Cl)C(=O)[C@@H]1CCCN1C ZINC001271977963 1186747229 /nfs/dbraw/zinc/74/72/29/1186747229.db2.gz WHHWHVIALYAUQE-OLZOCXBDSA-N 1 3 336.307 2.055 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCNCc2ccn(C(C)C)n2)CC[N@@H+]1C ZINC001272790670 1193499979 /nfs/dbraw/zinc/49/99/79/1193499979.db2.gz KGWRHXVVZXEJNR-RYQLBKOJSA-N 1 3 349.523 2.179 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCNCc2ccn(C(C)C)n2)CC[N@H+]1C ZINC001272790670 1193499981 /nfs/dbraw/zinc/49/99/81/1193499981.db2.gz KGWRHXVVZXEJNR-RYQLBKOJSA-N 1 3 349.523 2.179 10 0 EEAEHO CCN(CC[NH2+]CCOC(C)C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001482950299 1187889798 /nfs/dbraw/zinc/88/97/98/1187889798.db2.gz MGUNNJWFWQGJFI-SFHVURJKSA-N 1 3 345.503 2.062 10 0 EEAEHO CN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCc1ccc(Cl)cc1 ZINC001482991603 1187970309 /nfs/dbraw/zinc/97/03/09/1187970309.db2.gz SDPGTKJSMKKTOV-KYVUIXNKSA-N 1 3 335.879 2.239 10 0 EEAEHO CC(C)OCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001272228187 1188457592 /nfs/dbraw/zinc/45/75/92/1188457592.db2.gz YUZARSLWRUHRMX-QZTJIDSGSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)OCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001272228187 1188457596 /nfs/dbraw/zinc/45/75/96/1188457596.db2.gz YUZARSLWRUHRMX-QZTJIDSGSA-N 1 3 339.524 2.065 10 0 EEAEHO Cc1ncc(CNCC2CC(NC(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)o1 ZINC001409274722 1188554337 /nfs/dbraw/zinc/55/43/37/1188554337.db2.gz FXXKFYNWIFJKEL-HTWSVDAQSA-N 1 3 348.491 2.088 10 0 EEAEHO CC(C)OCC[NH2+][C@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001691628709 1188775200 /nfs/dbraw/zinc/77/52/00/1188775200.db2.gz AYTXGFFNJZXZKD-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CCc1ccccc1F ZINC001409347880 1189558718 /nfs/dbraw/zinc/55/87/18/1189558718.db2.gz FAEDSJMZTWAWOC-GJZGRUSLSA-N 1 3 335.467 2.335 10 0 EEAEHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)NCc2ccns2)CC1 ZINC001409428030 1189662529 /nfs/dbraw/zinc/66/25/29/1189662529.db2.gz OCLUDEWUBDYZIK-UONOGXRCSA-N 1 3 338.521 2.246 10 0 EEAEHO COc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001483384916 1190433488 /nfs/dbraw/zinc/43/34/88/1190433488.db2.gz SUTLLFIASBTGSP-NVXWUHKLSA-N 1 3 347.503 2.282 10 0 EEAEHO COc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001483384916 1190433489 /nfs/dbraw/zinc/43/34/89/1190433489.db2.gz SUTLLFIASBTGSP-NVXWUHKLSA-N 1 3 347.503 2.282 10 0 EEAEHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCOC(C)C ZINC001483615610 1190591532 /nfs/dbraw/zinc/59/15/32/1190591532.db2.gz OFURQQTUPJBLHO-AEFFLSMTSA-N 1 3 339.524 2.112 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001272574292 1190889006 /nfs/dbraw/zinc/88/90/06/1190889006.db2.gz PDEJNDGMIXNGLE-HNNXBMFYSA-N 1 3 330.407 2.120 10 0 EEAEHO Cc1ccncc1CNC1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001483744324 1190896617 /nfs/dbraw/zinc/89/66/17/1190896617.db2.gz UQDWKYYDKRLUSM-ZWKOTPCHSA-N 1 3 342.487 2.145 10 0 EEAEHO Cc1ccncc1CNC1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001483744324 1190896621 /nfs/dbraw/zinc/89/66/21/1190896621.db2.gz UQDWKYYDKRLUSM-ZWKOTPCHSA-N 1 3 342.487 2.145 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCCCOC)C2)N(C)C ZINC001483832616 1191069340 /nfs/dbraw/zinc/06/93/40/1191069340.db2.gz DUSSMOYDKFNNRA-PKOBYXMFSA-N 1 3 339.524 2.068 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCCOC)C2)N(C)C ZINC001483832616 1191069342 /nfs/dbraw/zinc/06/93/42/1191069342.db2.gz DUSSMOYDKFNNRA-PKOBYXMFSA-N 1 3 339.524 2.068 10 0 EEAEHO CC[C@H](C(=O)NC[C@H]1C[N@H+](CC2CCC2)CCC1(F)F)N(C)C ZINC001484197570 1191269163 /nfs/dbraw/zinc/26/91/63/1191269163.db2.gz ANSNSYNKNSWWFJ-LSDHHAIUSA-N 1 3 331.451 2.200 10 0 EEAEHO CC[C@H](C(=O)NC[C@H]1C[N@@H+](CC2CCC2)CCC1(F)F)N(C)C ZINC001484197570 1191269164 /nfs/dbraw/zinc/26/91/64/1191269164.db2.gz ANSNSYNKNSWWFJ-LSDHHAIUSA-N 1 3 331.451 2.200 10 0 EEAEHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001484368700 1191320813 /nfs/dbraw/zinc/32/08/13/1191320813.db2.gz HLNRQAHASWQMFF-STQMWFEESA-N 1 3 348.318 2.474 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]CCCCC(F)(F)F)C1 ZINC001485109472 1191657305 /nfs/dbraw/zinc/65/73/05/1191657305.db2.gz VHGDDYVJALCDPW-UHFFFAOYSA-N 1 3 346.397 2.478 10 0 EEAEHO CC[C@@H](C[NH+]1CCC([C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)CC1)OC ZINC001486437920 1193956693 /nfs/dbraw/zinc/95/66/93/1193956693.db2.gz OOSFFYTWGHTAMX-NJAFHUGGSA-N 1 3 341.540 2.214 10 0 EEAEHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]C/C=C/c2ccccc2)C1 ZINC001486457320 1193978528 /nfs/dbraw/zinc/97/85/28/1193978528.db2.gz AWNZHWUBJJKMEB-NZRFRBMFSA-N 1 3 327.472 2.373 10 0 EEAEHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cccc(N(C)C)c2)C1)N(C)C ZINC001486477033 1193990159 /nfs/dbraw/zinc/99/01/59/1193990159.db2.gz YKCPWNKDBJDVRI-KVZIAJEVSA-N 1 3 346.519 2.172 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)ccc1F)N(C)C ZINC001273122948 1194405225 /nfs/dbraw/zinc/40/52/25/1194405225.db2.gz KJDKTKXDAYQYLI-LRDDRELGSA-N 1 3 327.419 2.289 10 0 EEAEHO CN(C)c1ccccc1CN1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001410029249 1197472531 /nfs/dbraw/zinc/47/25/31/1197472531.db2.gz NNAGAUSFCVYCKG-SFHVURJKSA-N 1 3 346.519 2.031 10 0 EEAEHO CC[C@H](C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1)OC ZINC001410227093 1197617616 /nfs/dbraw/zinc/61/76/16/1197617616.db2.gz YRXMAQNDBMECML-TVFCKZIOSA-N 1 3 339.524 2.159 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnc(Cl)s2)C1 ZINC001410234383 1197623062 /nfs/dbraw/zinc/62/30/62/1197623062.db2.gz RNRMTMOFDDJTMR-HAQNSBGRSA-N 1 3 344.912 2.121 10 0 EEAEHO C[C@H](CN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1)CS(C)(=O)=O ZINC000872158035 1198064055 /nfs/dbraw/zinc/06/40/55/1198064055.db2.gz SAAUPAQRXXZQEY-INMHGKMJSA-N 1 3 330.538 2.287 10 0 EEAEHO C[NH+](C)CCCC(=O)N1CCC(CNCCF)(c2ccccc2)CC1 ZINC001274488087 1205054627 /nfs/dbraw/zinc/05/46/27/1205054627.db2.gz ZQCMPHZDNZPZKJ-UHFFFAOYSA-N 1 3 349.494 2.448 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC/C=C/C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001274533977 1205069862 /nfs/dbraw/zinc/06/98/62/1205069862.db2.gz HKAJFBNQNNEETC-HSWBROFVSA-N 1 3 340.418 2.348 10 0 EEAEHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000924543624 1205993757 /nfs/dbraw/zinc/99/37/57/1205993757.db2.gz AQXJMXOWQSXWAG-MNTYIPCHSA-N 1 3 335.517 2.051 10 0 EEAEHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)c1 ZINC000924931814 1206052101 /nfs/dbraw/zinc/05/21/01/1206052101.db2.gz LHSWEHQJTUGFRR-JTDSTZFVSA-N 1 3 336.476 2.157 10 0 EEAEHO COc1ccc([C@@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1OC ZINC000925859456 1206162197 /nfs/dbraw/zinc/16/21/97/1206162197.db2.gz YNOHXTSWFYVCLT-UKRRQHHQSA-N 1 3 348.443 2.040 10 0 EEAEHO C[C@H]1CN(C(=O)c2cccc(CC[NH+](C)C)c2)CCN(C2CC2)C1 ZINC001413034718 1216939041 /nfs/dbraw/zinc/93/90/41/1216939041.db2.gz UNJNRZRPRCJALS-MRXNPFEDSA-N 1 3 329.488 2.347 10 0 EEAEHO Cc1ccc([C@@H](NC(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)C2CC2)cc1 ZINC000903496493 1240672095 /nfs/dbraw/zinc/67/20/95/1240672095.db2.gz PQQSJRUXDQWRIF-XFQXTVEOSA-N 1 3 329.488 2.479 10 0 EEAEHO O[C@@H](C[C@H]1COCCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000903896955 1242375970 /nfs/dbraw/zinc/37/59/70/1242375970.db2.gz BVQYTNCFXDCPLF-XDLUSNJSSA-N 1 3 330.472 2.342 10 0 EEAEHO CCCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000903897428 1242381621 /nfs/dbraw/zinc/38/16/21/1242381621.db2.gz YYFCGBFIRSDDQZ-VDHUWJSZSA-N 1 3 347.507 2.228 10 0 EEAEHO COC[C@@H](Cc1ccccc1)N(C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903913985 1242460778 /nfs/dbraw/zinc/46/07/78/1242460778.db2.gz RBHOBTBSNSTSNR-AZUAARDMSA-N 1 3 344.503 2.035 10 0 EEAEHO Cc1csc(C[NH2+]C[C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)n1 ZINC001491189186 1258754556 /nfs/dbraw/zinc/75/45/56/1258754556.db2.gz ABAQORKIYKGZQD-HNNXBMFYSA-N 1 3 338.521 2.120 10 0 EEAEHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC[C@H]1CCCC1(F)F ZINC001491477232 1259127921 /nfs/dbraw/zinc/12/79/21/1259127921.db2.gz HCNKXHIZHTTWMQ-ZIAGYGMSSA-N 1 3 331.451 2.391 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCCCC(F)(F)F)C2)CCC1 ZINC001490897864 1286663899 /nfs/dbraw/zinc/66/38/99/1286663899.db2.gz QVEPCSFKBQWCOV-JOCQHMNTSA-N 1 3 335.414 2.440 10 0 EEAEHO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000863549202 1296329809 /nfs/dbraw/zinc/32/98/09/1296329809.db2.gz CTHDPJWXXONXHN-KURKYZTESA-N 1 3 345.418 2.070 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1CCOCc1ccccc1 ZINC001278520037 1317126696 /nfs/dbraw/zinc/12/66/96/1317126696.db2.gz BSODZGNZNMPVQV-IEBWSBKVSA-N 1 3 347.503 2.124 10 0 EEAEHO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCC(C)(C)C)N1CCCCCC1 ZINC001278817710 1318201288 /nfs/dbraw/zinc/20/12/88/1318201288.db2.gz TVVFSPSAMPMVEP-DLBZAZTESA-N 1 3 341.540 2.096 10 0 EEAEHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCCN(C)Cc1cccnc1 ZINC001265043403 1322884476 /nfs/dbraw/zinc/88/44/76/1322884476.db2.gz LEIQGYFEXWGBEK-GOSISDBHSA-N 1 3 332.492 2.283 10 0 EEAEHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCCN(C)Cc1cccnc1 ZINC001265043403 1322884481 /nfs/dbraw/zinc/88/44/81/1322884481.db2.gz LEIQGYFEXWGBEK-GOSISDBHSA-N 1 3 332.492 2.283 10 0 EEAEHO COCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001266099798 1323662952 /nfs/dbraw/zinc/66/29/52/1323662952.db2.gz MUPPUPCJUCLPHR-ZWKOTPCHSA-N 1 3 339.524 2.209 10 0 EEAEHO COCCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001266099798 1323662955 /nfs/dbraw/zinc/66/29/55/1323662955.db2.gz MUPPUPCJUCLPHR-ZWKOTPCHSA-N 1 3 339.524 2.209 10 0 EEAEHO CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001280758480 1324485754 /nfs/dbraw/zinc/48/57/54/1324485754.db2.gz AMUYYXUNDYDZDJ-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001280758480 1324485755 /nfs/dbraw/zinc/48/57/55/1324485755.db2.gz AMUYYXUNDYDZDJ-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO Cc1cncc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001491603447 1330200610 /nfs/dbraw/zinc/20/06/10/1330200610.db2.gz TZYQWRDSFSMGQL-SJLPKXTDSA-N 1 3 332.492 2.247 10 0 EEAEHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCCCF)CC[C@@H]2C1)N(C)C ZINC001316757232 1331876018 /nfs/dbraw/zinc/87/60/18/1331876018.db2.gz PXFPQJSFNQDPLS-IKGGRYGDSA-N 1 3 327.488 2.247 10 0 EEAEHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCCCF)CC[C@@H]2C1)N(C)C ZINC001316757232 1331876019 /nfs/dbraw/zinc/87/60/19/1331876019.db2.gz PXFPQJSFNQDPLS-IKGGRYGDSA-N 1 3 327.488 2.247 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)Cc1ccccn1 ZINC001316894210 1331960431 /nfs/dbraw/zinc/96/04/31/1331960431.db2.gz BGNIQQVSGFVLGI-RTBURBONSA-N 1 3 344.503 2.427 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)Cc1ccccn1 ZINC001316894210 1331960433 /nfs/dbraw/zinc/96/04/33/1331960433.db2.gz BGNIQQVSGFVLGI-RTBURBONSA-N 1 3 344.503 2.427 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001317308880 1332173582 /nfs/dbraw/zinc/17/35/82/1332173582.db2.gz YBQRBZXHLRUORO-OLZOCXBDSA-N 1 3 336.307 2.103 10 0 EEAEHO CCOCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001317383159 1332208412 /nfs/dbraw/zinc/20/84/12/1332208412.db2.gz KBLVXDWOKPXHBB-ROUUACIJSA-N 1 3 339.524 2.209 10 0 EEAEHO CCOCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001317383159 1332208414 /nfs/dbraw/zinc/20/84/14/1332208414.db2.gz KBLVXDWOKPXHBB-ROUUACIJSA-N 1 3 339.524 2.209 10 0 EEAEHO Cc1conc1CNCCC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001318914963 1332623052 /nfs/dbraw/zinc/62/30/52/1332623052.db2.gz KNUNYCDNNVEHLA-OAHLLOKOSA-N 1 3 348.491 2.043 10 0 EEAEHO Cc1conc1CNCCC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001318914963 1332623054 /nfs/dbraw/zinc/62/30/54/1332623054.db2.gz KNUNYCDNNVEHLA-OAHLLOKOSA-N 1 3 348.491 2.043 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@@H]2C[NH2+]CCCF)C1 ZINC001319111273 1332651172 /nfs/dbraw/zinc/65/11/72/1332651172.db2.gz FILJAJPLIGOXAB-RHSMWYFYSA-N 1 3 331.451 2.139 10 0 EEAEHO Cc1ncoc1CNCC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001319775171 1332764596 /nfs/dbraw/zinc/76/45/96/1332764596.db2.gz QYPPEBLSVJDAMI-RDJZCZTQSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncoc1CNCC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001319775171 1332764601 /nfs/dbraw/zinc/76/46/01/1332764601.db2.gz QYPPEBLSVJDAMI-RDJZCZTQSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncoc1C[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001319775171 1332764604 /nfs/dbraw/zinc/76/46/04/1332764604.db2.gz QYPPEBLSVJDAMI-RDJZCZTQSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1nocc1CNCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001320448613 1332886068 /nfs/dbraw/zinc/88/60/68/1332886068.db2.gz WMOZKYQDLSTLPR-KSSFIOAISA-N 1 3 348.491 2.374 10 0 EEAEHO Cc1nocc1CNCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001320448613 1332886071 /nfs/dbraw/zinc/88/60/71/1332886071.db2.gz WMOZKYQDLSTLPR-KSSFIOAISA-N 1 3 348.491 2.374 10 0 EEAEHO CC[C@H](C(=O)NC/C=C/C[NH2+]C[C@@H]1CCc2ccccc2C1)N(C)C ZINC001321108242 1333020798 /nfs/dbraw/zinc/02/07/98/1333020798.db2.gz DWUCMRYUABSIQY-JCTQASJRSA-N 1 3 343.515 2.394 10 0 EEAEHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC/C=C/CNC/C=C/Cl)C1 ZINC001321252607 1333055752 /nfs/dbraw/zinc/05/57/52/1333055752.db2.gz VUUWLYFELVIKIP-JXHRZFEHSA-N 1 3 331.863 2.213 10 0 EEAEHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC/C=C/CNC/C=C/Cl)C1 ZINC001321252607 1333055755 /nfs/dbraw/zinc/05/57/55/1333055755.db2.gz VUUWLYFELVIKIP-JXHRZFEHSA-N 1 3 331.863 2.213 10 0 EEAEHO Cc1nc(C(C)C)oc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001322443134 1333264515 /nfs/dbraw/zinc/26/45/15/1333264515.db2.gz UNVPPAMMLXSCTL-HNNXBMFYSA-N 1 3 336.480 2.139 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCc1ccnc(Cl)c1 ZINC001324251957 1333643493 /nfs/dbraw/zinc/64/34/93/1333643493.db2.gz PCNCBQOCNGYWJZ-HNNXBMFYSA-N 1 3 338.883 2.157 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCc1ccnc(Cl)c1 ZINC001324251957 1333643500 /nfs/dbraw/zinc/64/35/00/1333643500.db2.gz PCNCBQOCNGYWJZ-HNNXBMFYSA-N 1 3 338.883 2.157 10 0 EEAEHO CC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001325766939 1333956473 /nfs/dbraw/zinc/95/64/73/1333956473.db2.gz SETWEJFHQLRBIN-DHAGBVFISA-N 1 3 333.520 2.465 10 0 EEAEHO CC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001325766939 1333956475 /nfs/dbraw/zinc/95/64/75/1333956475.db2.gz SETWEJFHQLRBIN-DHAGBVFISA-N 1 3 333.520 2.465 10 0 EEAEHO COCCCC[NH2+]C1CCC(N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC001329244061 1334613838 /nfs/dbraw/zinc/61/38/38/1334613838.db2.gz QRJSNTSCFPLPMX-AOCRQIFASA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)C[C@H](C)NCc1ccc(Cl)nc1)[NH+](C)C ZINC001331614391 1335045569 /nfs/dbraw/zinc/04/55/69/1335045569.db2.gz XACMXACFPKQSLH-XJKSGUPXSA-N 1 3 340.899 2.258 10 0 EEAEHO CCOCC[NH2+]C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C(C)(C)C ZINC001332861433 1335920655 /nfs/dbraw/zinc/92/06/55/1335920655.db2.gz SCLUJOUDCFAWTN-DLBZAZTESA-N 1 3 341.540 2.408 10 0 EEAEHO CC(C)COCCN1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001500291851 1342139298 /nfs/dbraw/zinc/13/92/98/1342139298.db2.gz DIRHYYZGMYYWOC-LJQANCHMSA-N 1 3 339.524 2.116 10 0 EEAEHO CN(CCNCc1ccc(Cl)s1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001567591155 1342789177 /nfs/dbraw/zinc/78/91/77/1342789177.db2.gz YZINCNAJTIAGAD-GFCCVEGCSA-N 1 3 329.897 2.291 10 0 EEAEHO CN(CCNCc1ccc(Cl)s1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001567591155 1342789179 /nfs/dbraw/zinc/78/91/79/1342789179.db2.gz YZINCNAJTIAGAD-GFCCVEGCSA-N 1 3 329.897 2.291 10 0 EEAEHO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC001649857138 1353628261 /nfs/dbraw/zinc/62/82/61/1353628261.db2.gz XHIDPOFHYGQELH-QZTJIDSGSA-N 1 3 331.460 2.099 10 0 EEAEHO C[N@H+](CCCNC(=O)C(C)(C)N1CCCCC1)C[C@H]1CCCOC1 ZINC001660145244 1354404068 /nfs/dbraw/zinc/40/40/68/1354404068.db2.gz CPWJWYGGHYYTTB-QGZVFWFLSA-N 1 3 339.524 2.116 10 0 EEAEHO C[N@@H+](CCCNC(=O)C(C)(C)N1CCCCC1)C[C@H]1CCCOC1 ZINC001660145244 1354404072 /nfs/dbraw/zinc/40/40/72/1354404072.db2.gz CPWJWYGGHYYTTB-QGZVFWFLSA-N 1 3 339.524 2.116 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CCc3ccccc3)C2)C1 ZINC001661817982 1354702428 /nfs/dbraw/zinc/70/24/28/1354702428.db2.gz GFYOSPLOUXOXPZ-UYAOXDASSA-N 1 3 343.515 2.399 10 0 EEAEHO CCc1ccccc1CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001662609053 1354812350 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EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CCC1CCOCC1 ZINC001668326568 1355924285 /nfs/dbraw/zinc/92/42/85/1355924285.db2.gz SBSYESBLAXGKGO-SJLPKXTDSA-N 1 3 339.524 2.162 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1cccc(F)c1 ZINC001668853220 1356023037 /nfs/dbraw/zinc/02/30/37/1356023037.db2.gz FDZOMGLKHMYQLI-DDKKJVIOSA-N 1 3 333.451 2.462 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1cccc(F)c1 ZINC001668853220 1356023041 /nfs/dbraw/zinc/02/30/41/1356023041.db2.gz FDZOMGLKHMYQLI-DDKKJVIOSA-N 1 3 333.451 2.462 10 0 EEAEHO CC[C@@H](C(=O)NC/C=C/C[NH2+]C[C@H]1CCCC(F)(F)C1)N(C)C ZINC001669045931 1356076018 /nfs/dbraw/zinc/07/60/18/1356076018.db2.gz NRKYXKIZXPMTCI-WHJWBVKISA-N 1 3 331.451 2.414 10 0 EEAEHO CC(C)OCCC[NH2+]C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001669664872 1356191424 /nfs/dbraw/zinc/19/14/24/1356191424.db2.gz OFGGXDVEZACHBH-YJBOKZPZSA-N 1 3 345.503 2.108 10 0 EEAEHO COc1cccc([C@@H](C)[NH2+]CCCN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001670261299 1356306403 /nfs/dbraw/zinc/30/64/03/1356306403.db2.gz JJSCOPXRFIWWFU-CQSZACIVSA-N 1 3 330.432 2.160 10 0 EEAEHO COCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001672536392 1356548716 /nfs/dbraw/zinc/54/87/16/1356548716.db2.gz AJHRJLRHHKBKAS-JKSUJKDBSA-N 1 3 348.491 2.179 10 0 EEAEHO COCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001672536392 1356548719 /nfs/dbraw/zinc/54/87/19/1356548719.db2.gz AJHRJLRHHKBKAS-JKSUJKDBSA-N 1 3 348.491 2.179 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cc(C)ns2)C1)N(C)C ZINC001672897982 1356610044 /nfs/dbraw/zinc/61/00/44/1356610044.db2.gz YYRKHPNXDRLGPC-GOEBONIOSA-N 1 3 338.521 2.120 10 0 EEAEHO CC(C)OCCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001673904468 1356757493 /nfs/dbraw/zinc/75/74/93/1356757493.db2.gz KJPYPCFTYGJMQI-DLBZAZTESA-N 1 3 341.540 2.216 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)NC2CC(C[NH2+]CCCF)C2)C1 ZINC001674579275 1356860149 /nfs/dbraw/zinc/86/01/49/1356860149.db2.gz VVBPPYOVJAGCTB-KVULBXGLSA-N 1 3 331.451 2.043 10 0 EEAEHO C[C@@H](NCc1ccnc(Cl)c1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001674720814 1356883234 /nfs/dbraw/zinc/88/32/34/1356883234.db2.gz CWIGJKARADVTBR-OLZOCXBDSA-N 1 3 326.872 2.060 10 0 EEAEHO COCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001698899133 1405139093 /nfs/dbraw/zinc/13/90/93/1405139093.db2.gz SWXXKEZJZJSNEO-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNCc1ncc(C)s1 ZINC001699108956 1405265214 /nfs/dbraw/zinc/26/52/14/1405265214.db2.gz XXETZZAYSCGICY-HIFRSBDPSA-N 1 3 338.521 2.310 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNCc1ncc(C)s1 ZINC001699108956 1405265218 /nfs/dbraw/zinc/26/52/18/1405265218.db2.gz XXETZZAYSCGICY-HIFRSBDPSA-N 1 3 338.521 2.310 10 0 EEAEHO CC(C)(C)NS(=O)(=O)C1(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925806418 777307158 /nfs/dbraw/zinc/30/71/58/777307158.db2.gz POVXAIIAGDIBEC-ZIAGYGMSSA-N 1 3 345.553 2.123 10 0 EEAEHO CN(C(=O)[C@@H]1C[NH2+]CC1(C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000711278036 788585349 /nfs/dbraw/zinc/58/53/49/788585349.db2.gz DEAMZGSLGNXNIU-MSOLQXFVSA-N 1 3 329.488 2.355 10 0 EEAEHO CCCN(CC[NH+](C)C)C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000844202795 788924192 /nfs/dbraw/zinc/92/41/92/788924192.db2.gz OHEIBVNLRKFWMR-CQSZACIVSA-N 1 3 326.872 2.234 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](c1ccccn1)C1CC1 ZINC000923201619 789122547 /nfs/dbraw/zinc/12/25/47/789122547.db2.gz PPECQXPHQGEPPT-YJBOKZPZSA-N 1 3 347.507 2.104 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](c1ccccn1)C1CC1 ZINC000923201619 789122549 /nfs/dbraw/zinc/12/25/49/789122549.db2.gz PPECQXPHQGEPPT-YJBOKZPZSA-N 1 3 347.507 2.104 10 0 EEAEHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1ccc3c(c1)OC(F)(F)O3)CC2 ZINC000923441437 789567404 /nfs/dbraw/zinc/56/74/04/789567404.db2.gz LEHZRMYHDHXIGU-CYBMUJFWSA-N 1 3 340.370 2.338 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)CC[N@@H+]1C ZINC000913891075 794490817 /nfs/dbraw/zinc/49/08/17/794490817.db2.gz IORNBVHNLDWTMQ-RBSFLKMASA-N 1 3 336.505 2.277 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CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(Cl)nc1)C1CC1)N(C)C ZINC001498862053 1108239378 /nfs/dbraw/zinc/23/93/78/1108239378.db2.gz XXAHACBAXFAVFQ-GJZGRUSLSA-N 1 3 338.883 2.060 10 0 EEAEHO CC(C)OCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001499480958 1112312894 /nfs/dbraw/zinc/31/28/94/1112312894.db2.gz KTFFROYEXPXULR-SJLPKXTDSA-N 1 3 348.491 2.080 10 0 EEAEHO CC(C)OCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001499480958 1112312898 /nfs/dbraw/zinc/31/28/98/1112312898.db2.gz KTFFROYEXPXULR-SJLPKXTDSA-N 1 3 348.491 2.080 10 0 EEAEHO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C)cc1 ZINC001501153233 1113217370 /nfs/dbraw/zinc/21/73/70/1113217370.db2.gz MJBDBXCWBGODHM-WMZOPIPTSA-N 1 3 347.503 2.220 10 0 EEAEHO CC[C@@H](C(=O)N1CCC(C)([NH2+]CCOCC2CCC2)CC1)N(C)C ZINC001502805499 1113805907 /nfs/dbraw/zinc/80/59/07/1113805907.db2.gz IYQBRXHRUNNKIE-KRWDZBQOSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)[C@@H](CCN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cccnc1 ZINC001506477225 1114636464 /nfs/dbraw/zinc/63/64/64/1114636464.db2.gz ALWURYVLZPKTHS-PKOBYXMFSA-N 1 3 346.519 2.386 10 0 EEAEHO Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001506856305 1114921179 /nfs/dbraw/zinc/92/11/79/1114921179.db2.gz QCMLLEKVUVBHDU-MJGOQNOKSA-N 1 3 347.503 2.041 10 0 EEAEHO Cc1cccnc1C[NH2+]CCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001506924473 1114977525 /nfs/dbraw/zinc/97/75/25/1114977525.db2.gz NOIRGUXCWKFUOY-MRXNPFEDSA-N 1 3 332.492 2.249 10 0 EEAEHO Cc1nn(C(C)C)cc1CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001507291354 1115176788 /nfs/dbraw/zinc/17/67/88/1115176788.db2.gz VCHKYOYAZVQRPL-SJLPKXTDSA-N 1 3 349.523 2.193 10 0 EEAEHO CC(C)=CCN[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001508089101 1115416743 /nfs/dbraw/zinc/41/67/43/1115416743.db2.gz XHZHYDZSFYVCEB-UONOGXRCSA-N 1 3 335.414 2.273 10 0 EEAEHO COCCC[N@H+]1CC=C(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001508206029 1115444232 /nfs/dbraw/zinc/44/42/32/1115444232.db2.gz YBZUNOSDRMHXFR-UHFFFAOYSA-N 1 3 337.508 2.036 10 0 EEAEHO COCCC[N@@H+]1CC=C(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001508206029 1115444234 /nfs/dbraw/zinc/44/42/34/1115444234.db2.gz YBZUNOSDRMHXFR-UHFFFAOYSA-N 1 3 337.508 2.036 10 0 EEAEHO C[C@@H](F)CC[NH2+]CC[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001568060383 1124265168 /nfs/dbraw/zinc/26/51/68/1124265168.db2.gz LKMSRKIYISKPEU-HZPDHXFCSA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)OCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001568407791 1124477347 /nfs/dbraw/zinc/47/73/47/1124477347.db2.gz VADJEILLUDFONG-DLBZAZTESA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1ccc(F)cc1 ZINC001568851140 1124871229 /nfs/dbraw/zinc/87/12/29/1124871229.db2.gz YBZFOBNGIKNBDZ-JXCVUKRWSA-N 1 3 333.451 2.461 10 0 EEAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1ccc(F)cc1 ZINC001568851140 1124871239 /nfs/dbraw/zinc/87/12/39/1124871239.db2.gz YBZFOBNGIKNBDZ-JXCVUKRWSA-N 1 3 333.451 2.461 10 0 EEAEHO C[C@H](NCCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)c1cnccn1 ZINC001569246753 1125192198 /nfs/dbraw/zinc/19/21/98/1125192198.db2.gz OITYYCWWNQOVRU-IRXDYDNUSA-N 1 3 347.507 2.240 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N2CC[C@H](N3CC=CC3)C2)[NH+](C)C)cc1 ZINC000174383969 231194632 /nfs/dbraw/zinc/19/46/32/231194632.db2.gz YXWHTPBYLFGXBS-OALUTQOASA-N 1 3 342.487 2.253 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000080097941 539345831 /nfs/dbraw/zinc/34/58/31/539345831.db2.gz BVYLQWXRILJGET-NZSAHSFTSA-N 1 3 344.503 2.433 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000080097941 539345836 /nfs/dbraw/zinc/34/58/36/539345836.db2.gz BVYLQWXRILJGET-NZSAHSFTSA-N 1 3 344.503 2.433 10 0 EEAEHO C[N@H+](CCn1ccnc1)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000131179131 529940927 /nfs/dbraw/zinc/94/09/27/529940927.db2.gz TZLBGKHNXLKJCZ-HXUWFJFHSA-N 1 3 342.487 2.261 10 0 EEAEHO C[N@@H+](CCn1ccnc1)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000131179131 529940928 /nfs/dbraw/zinc/94/09/28/529940928.db2.gz TZLBGKHNXLKJCZ-HXUWFJFHSA-N 1 3 342.487 2.261 10 0 EEAEHO C[C@@H]1CN(c2ccc(CN[C@@H]3CCCC[C@H]3C[NH3+])cn2)C[C@@H](C)O1 ZINC000422878024 240270295 /nfs/dbraw/zinc/27/02/95/240270295.db2.gz IRLJLSZJSQSIGJ-XYVMCAHJSA-N 1 3 332.492 2.302 10 0 EEAEHO C[C@@H]1CN(c2ccc(CN[C@@H]3CCCC[C@H]3C[NH3+])cn2)C[C@H](C)O1 ZINC000422878021 240272120 /nfs/dbraw/zinc/27/21/20/240272120.db2.gz IRLJLSZJSQSIGJ-CIRFHOKZSA-N 1 3 332.492 2.302 10 0 EEAEHO CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000425365434 241142417 /nfs/dbraw/zinc/14/24/17/241142417.db2.gz YIHBLBSYKHEKNW-QZTJIDSGSA-N 1 3 347.528 2.496 10 0 EEAEHO CN1CC[C@@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)C[C@@H]21 ZINC000457523950 244578169 /nfs/dbraw/zinc/57/81/69/244578169.db2.gz XTAXDVOSGOMAGY-MOPGFXCFSA-N 1 3 342.487 2.128 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCC(O)CC1 ZINC000268804220 252257044 /nfs/dbraw/zinc/25/70/44/252257044.db2.gz BXSKGPNWEWULMD-RXVVDRJESA-N 1 3 345.531 2.333 10 0 EEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000246386468 160276380 /nfs/dbraw/zinc/27/63/80/160276380.db2.gz KGOMRLXNTDJDAM-BHIYHBOVSA-N 1 3 346.519 2.187 10 0 EEAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000246386468 160276383 /nfs/dbraw/zinc/27/63/83/160276383.db2.gz KGOMRLXNTDJDAM-BHIYHBOVSA-N 1 3 346.519 2.187 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CN1Cc1ccccc1 ZINC000246408757 160277168 /nfs/dbraw/zinc/27/71/68/160277168.db2.gz BAMUBYVWGHKKLJ-NEWSRXKRSA-N 1 3 342.487 2.139 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CN1Cc1ccccc1 ZINC000246408757 160277170 /nfs/dbraw/zinc/27/71/70/160277170.db2.gz BAMUBYVWGHKKLJ-NEWSRXKRSA-N 1 3 342.487 2.139 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000246527701 160283840 /nfs/dbraw/zinc/28/38/40/160283840.db2.gz XRFVPWGVBRNTFG-QRVBRYPASA-N 1 3 344.503 2.037 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000246527701 160283841 /nfs/dbraw/zinc/28/38/41/160283841.db2.gz XRFVPWGVBRNTFG-QRVBRYPASA-N 1 3 344.503 2.037 10 0 EEAEHO CC[NH2+]Cc1cccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000364213867 165053723 /nfs/dbraw/zinc/05/37/23/165053723.db2.gz RIASYFAEDMEHEG-GPMSIDNRSA-N 1 3 331.460 2.267 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)N2CCN3CCC2CC3)[NH+](C)C)cc1 ZINC000376800837 167396145 /nfs/dbraw/zinc/39/61/45/167396145.db2.gz CSLGTNIBWHNVPF-LJQANCHMSA-N 1 3 344.503 2.341 10 0 EEAEHO C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000245657060 279336575 /nfs/dbraw/zinc/33/65/75/279336575.db2.gz ONLGBWCVEWADPN-QRQLOZEOSA-N 1 3 344.503 2.463 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000457917747 289207078 /nfs/dbraw/zinc/20/70/78/289207078.db2.gz UWEYCGHNDKLTIZ-MOPGFXCFSA-N 1 3 346.519 2.190 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000457917747 289207082 /nfs/dbraw/zinc/20/70/82/289207082.db2.gz UWEYCGHNDKLTIZ-MOPGFXCFSA-N 1 3 346.519 2.190 10 0 EEAEHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](CC(C)C)CN(C)C)CC1 ZINC000171043022 311399991 /nfs/dbraw/zinc/39/99/91/311399991.db2.gz LGPWPSXSYWFBJU-INIZCTEOSA-N 1 3 326.529 2.479 10 0 EEAEHO CC1(C)C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC[C@H]1C(F)(F)F ZINC000414758235 313078437 /nfs/dbraw/zinc/07/84/37/313078437.db2.gz MKOBEZCKJKSBPE-QWHCGFSZSA-N 1 3 335.414 2.094 10 0 EEAEHO CC1(C)C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC[C@H]1C(F)(F)F ZINC000414758235 313078439 /nfs/dbraw/zinc/07/84/39/313078439.db2.gz MKOBEZCKJKSBPE-QWHCGFSZSA-N 1 3 335.414 2.094 10 0 EEAEHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000416785430 313315528 /nfs/dbraw/zinc/31/55/28/313315528.db2.gz KWPPMQRBRZFTAZ-IPMKNSEASA-N 1 3 342.487 2.217 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000416838462 313330762 /nfs/dbraw/zinc/33/07/62/313330762.db2.gz JGJOYTWTOZARQU-KBAYOESNSA-N 1 3 332.492 2.367 10 0 EEAEHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000416843305 313332999 /nfs/dbraw/zinc/33/29/99/313332999.db2.gz OKOSAUUUFSLFTQ-BZUAXINKSA-N 1 3 348.516 2.278 10 0 EEAEHO O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccccc1CN1CCCCC1 ZINC000416906398 313357011 /nfs/dbraw/zinc/35/70/11/313357011.db2.gz SDTPFQGJGPXBLJ-KRWDZBQOSA-N 1 3 344.503 2.471 10 0 EEAEHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000418585487 313853679 /nfs/dbraw/zinc/85/36/79/313853679.db2.gz DIPPXYZSHPXMPW-AEFFLSMTSA-N 1 3 332.492 2.066 10 0 EEAEHO CN1CCC(C[NH2+][C@@H]2CCC23CCOCC3)(N2CCCCC2)CC1 ZINC000548860195 318416270 /nfs/dbraw/zinc/41/62/70/318416270.db2.gz QTHAEOOSZDBGGD-GOSISDBHSA-N 1 3 335.536 2.486 10 0 EEAEHO CC(C)[NH+](CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)C(C)C ZINC000565420749 319181411 /nfs/dbraw/zinc/18/14/11/319181411.db2.gz MEGLPIKVNBLSLU-FRQCXROJSA-N 1 3 339.524 2.144 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CCC(CC[NH3+])CC2)[C@@H]1c1ccccc1 ZINC000566352513 319277830 /nfs/dbraw/zinc/27/78/30/319277830.db2.gz PHNINHUGCRTARN-ROUUACIJSA-N 1 3 330.476 2.202 10 0 EEAEHO C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000566610131 319304797 /nfs/dbraw/zinc/30/47/97/319304797.db2.gz AYNUXVHTZKSNGD-KVWWFHCMSA-N 1 3 344.503 2.293 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000580532892 324081123 /nfs/dbraw/zinc/08/11/23/324081123.db2.gz NOCPBMVJUQOOSD-CMKODMSKSA-N 1 3 342.487 2.217 10 0 EEAEHO C[C@@]1(CNC(=O)N2CCC[C@@H](C[NH3+])C2)CCCN1Cc1ccccc1 ZINC000581478530 324261326 /nfs/dbraw/zinc/26/13/26/324261326.db2.gz VZZATBQBZGYHSR-ICSRJNTNSA-N 1 3 344.503 2.421 10 0 EEAEHO C[NH+](C)C1(CNC(=O)N2CCc3ccccc3[C@@H]2CN)CCCC1 ZINC000582664144 324499829 /nfs/dbraw/zinc/49/98/29/324499829.db2.gz BLMAXKZDEYQQSV-KRWDZBQOSA-N 1 3 330.476 2.129 10 0 EEAEHO C[N@@H+]1CC[C@H](NCCN2CCN(c3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000552238967 468319841 /nfs/dbraw/zinc/31/98/41/468319841.db2.gz XIMAYQWWGXSBIJ-ACRUOGEOSA-N 1 3 342.531 2.271 10 0 EEAEHO C[N@H+]1CC[C@H](NCCN2CCN(c3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000552238967 468319843 /nfs/dbraw/zinc/31/98/43/468319843.db2.gz XIMAYQWWGXSBIJ-ACRUOGEOSA-N 1 3 342.531 2.271 10 0 EEAEHO C[NH+](C)Cc1cccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000261775729 463856891 /nfs/dbraw/zinc/85/68/91/463856891.db2.gz XJQZJKFSCYWLQQ-JTDSTZFVSA-N 1 3 331.460 2.219 10 0 EEAEHO CCc1cccc(F)c1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261991273 463920061 /nfs/dbraw/zinc/92/00/61/463920061.db2.gz SJPATFJMMKZEBT-HNAYVOBHSA-N 1 3 347.478 2.468 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3CC)cc2)CC1 ZINC000175109636 464492332 /nfs/dbraw/zinc/49/23/32/464492332.db2.gz WOTAJTCJYJPLJL-IBGZPJMESA-N 1 3 344.503 2.043 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@H+]3CC)cc2)CC1 ZINC000175109636 464492338 /nfs/dbraw/zinc/49/23/38/464492338.db2.gz WOTAJTCJYJPLJL-IBGZPJMESA-N 1 3 344.503 2.043 10 0 EEAEHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCN1CCc2ccccc2C1 ZINC000348900392 465864282 /nfs/dbraw/zinc/86/42/82/465864282.db2.gz MUBCOFPYBYQKFB-APWZRJJASA-N 1 3 329.488 2.233 10 0 EEAEHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CCN1CCc2ccccc2C1 ZINC000348900392 465864289 /nfs/dbraw/zinc/86/42/89/465864289.db2.gz MUBCOFPYBYQKFB-APWZRJJASA-N 1 3 329.488 2.233 10 0 EEAEHO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)N2CCOCC2)o1 ZINC000353464932 465904457 /nfs/dbraw/zinc/90/44/57/465904457.db2.gz WCLUAJXHTYKJTB-RDGPPVDQSA-N 1 3 347.503 2.424 10 0 EEAEHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000349819589 466256075 /nfs/dbraw/zinc/25/60/75/466256075.db2.gz JOHIYEDHUMRIRI-DOTOQJQBSA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000349819589 466256085 /nfs/dbraw/zinc/25/60/85/466256085.db2.gz JOHIYEDHUMRIRI-DOTOQJQBSA-N 1 3 336.524 2.375 10 0 EEAEHO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c1 ZINC000367620000 466454400 /nfs/dbraw/zinc/45/44/00/466454400.db2.gz XNQPMKOMESEMQA-ZSYWTGECSA-N 1 3 334.460 2.200 10 0 EEAEHO COc1cc(OC)cc([C@H](O)CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367620000 466454407 /nfs/dbraw/zinc/45/44/07/466454407.db2.gz XNQPMKOMESEMQA-ZSYWTGECSA-N 1 3 334.460 2.200 10 0 EEAEHO COc1cc(OC)cc([C@H](O)CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367620000 466454415 /nfs/dbraw/zinc/45/44/15/466454415.db2.gz XNQPMKOMESEMQA-ZSYWTGECSA-N 1 3 334.460 2.200 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)CCN2CCc3ccccc3C2)CC[N@@H+]1C ZINC000354361377 466506577 /nfs/dbraw/zinc/50/65/77/466506577.db2.gz HFHDKVWNEPXIDZ-APWZRJJASA-N 1 3 329.488 2.376 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)CCN2CCc3ccccc3C2)CC[N@H+]1C ZINC000354361377 466506584 /nfs/dbraw/zinc/50/65/84/466506584.db2.gz HFHDKVWNEPXIDZ-APWZRJJASA-N 1 3 329.488 2.376 10 0 EEAEHO C[C@H]1C[C@@H]1N1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000358187666 466524243 /nfs/dbraw/zinc/52/42/43/466524243.db2.gz ZPACHXDTTUCEEO-NXHKRRBXSA-N 1 3 341.499 2.496 10 0 EEAEHO C[C@H]1C[C@@H]1N1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000358187666 466524246 /nfs/dbraw/zinc/52/42/46/466524246.db2.gz ZPACHXDTTUCEEO-NXHKRRBXSA-N 1 3 341.499 2.496 10 0 EEAEHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000417933480 466991419 /nfs/dbraw/zinc/99/14/19/466991419.db2.gz DXKAPDMBSFBROY-CGTJXYLNSA-N 1 3 330.476 2.073 10 0 EEAEHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418040688 467032316 /nfs/dbraw/zinc/03/23/16/467032316.db2.gz JIZBQCUBXJVOJG-ICSRJNTNSA-N 1 3 344.503 2.435 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000418597847 467133469 /nfs/dbraw/zinc/13/34/69/467133469.db2.gz QBDSTWWPDWATLA-MJGOQNOKSA-N 1 3 346.519 2.190 10 0 EEAEHO C[C@H]([NH3+])[C@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418712534 467149183 /nfs/dbraw/zinc/14/91/83/467149183.db2.gz XHZQYHNJDQHVQJ-MUQADHOPSA-N 1 3 332.492 2.417 10 0 EEAEHO CC(=O)[C@@](C)(O)C[N@@H+]1CCC2(C1)CCN(Cc1ccccc1)CC2 ZINC000451070213 467238705 /nfs/dbraw/zinc/23/87/05/467238705.db2.gz XBOJIXLIBINGRJ-IBGZPJMESA-N 1 3 330.472 2.315 10 0 EEAEHO CC(=O)[C@@](C)(O)C[N@H+]1CCC2(C1)CCN(Cc1ccccc1)CC2 ZINC000451070213 467238708 /nfs/dbraw/zinc/23/87/08/467238708.db2.gz XBOJIXLIBINGRJ-IBGZPJMESA-N 1 3 330.472 2.315 10 0 EEAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](O)C2CCOCC2)CC1 ZINC000449156018 467621106 /nfs/dbraw/zinc/62/11/06/467621106.db2.gz REDZHAXJTSTSGZ-UWJYYQICSA-N 1 3 346.515 2.459 10 0 EEAEHO COCCOc1ccccc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247955 467968490 /nfs/dbraw/zinc/96/84/90/467968490.db2.gz FGTHFHVIIANUCI-LJQANCHMSA-N 1 3 348.487 2.302 10 0 EEAEHO CN1CC[C@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)[C@H]1c1ccccc1 ZINC000578743117 468249397 /nfs/dbraw/zinc/24/93/97/468249397.db2.gz GLVUFAAFFDCJKS-GBESFXJTSA-N 1 3 338.455 2.431 10 0 EEAEHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000572346935 468919573 /nfs/dbraw/zinc/91/95/73/468919573.db2.gz GNDOMZRPCIMAJZ-KNCOVGOOSA-N 1 3 336.505 2.262 10 0 EEAEHO C[C@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C1=CCN(C)CC1 ZINC000573306747 469102585 /nfs/dbraw/zinc/10/25/85/469102585.db2.gz KBEPDDIGDCDPSV-LBPRGKRZSA-N 1 3 332.423 2.243 10 0 EEAEHO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625940644 469442470 /nfs/dbraw/zinc/44/24/70/469442470.db2.gz OAZIJWGWKFIOJO-AWEZNQCLSA-N 1 3 334.464 2.411 10 0 EEAEHO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625940644 469442474 /nfs/dbraw/zinc/44/24/74/469442474.db2.gz OAZIJWGWKFIOJO-AWEZNQCLSA-N 1 3 334.464 2.411 10 0 EEAEHO C[NH2+]CCOCCN[C@H](C)c1ccc(OC)c(Br)c1 ZINC000629529121 469573021 /nfs/dbraw/zinc/57/30/21/469573021.db2.gz SADAGKAIZLNILY-LLVKDONJSA-N 1 3 331.254 2.344 10 0 EEAEHO COc1ncc(Br)cc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629524412 469573099 /nfs/dbraw/zinc/57/30/99/469573099.db2.gz QZXKEGHXUCVANE-UHIISALHSA-N 1 3 340.265 2.330 10 0 EEAEHO C[N@@H+]1CC[C@H](NC[C@@H]2CN(Cc3ccccc3)CCO2)CC1(C)C ZINC000623340469 469629881 /nfs/dbraw/zinc/62/98/81/469629881.db2.gz JGLMWIPTSARQTG-RBUKOAKNSA-N 1 3 331.504 2.350 10 0 EEAEHO C[N@H+]1CC[C@H](NC[C@@H]2CN(Cc3ccccc3)CCO2)CC1(C)C ZINC000623340469 469629887 /nfs/dbraw/zinc/62/98/87/469629887.db2.gz JGLMWIPTSARQTG-RBUKOAKNSA-N 1 3 331.504 2.350 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(F)c1Cl ZINC000617505539 469703111 /nfs/dbraw/zinc/70/31/11/469703111.db2.gz GWAZLHKIYBURPK-LBPRGKRZSA-N 1 3 329.847 2.481 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(F)c1Cl ZINC000617505539 469703116 /nfs/dbraw/zinc/70/31/16/469703116.db2.gz GWAZLHKIYBURPK-LBPRGKRZSA-N 1 3 329.847 2.481 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1coc(-c2ccccc2)n1 ZINC000617505630 469704482 /nfs/dbraw/zinc/70/44/82/469704482.db2.gz KTGGDFMKEORDQO-HNNXBMFYSA-N 1 3 344.459 2.343 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1coc(-c2ccccc2)n1 ZINC000617505630 469704486 /nfs/dbraw/zinc/70/44/86/469704486.db2.gz KTGGDFMKEORDQO-HNNXBMFYSA-N 1 3 344.459 2.343 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C12CC(c3ccccc3)(C1)C2 ZINC000617507089 469707020 /nfs/dbraw/zinc/70/70/20/469707020.db2.gz HQVVAAHOTIWCQC-RPCJCACASA-N 1 3 343.515 2.497 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C12CC(c3ccccc3)(C1)C2 ZINC000617507089 469707024 /nfs/dbraw/zinc/70/70/24/469707024.db2.gz HQVVAAHOTIWCQC-RPCJCACASA-N 1 3 343.515 2.497 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C[NH2+]1 ZINC000626939444 469762767 /nfs/dbraw/zinc/76/27/67/469762767.db2.gz DLKGDJUPUODLTC-BPQIPLTHSA-N 1 3 330.476 2.091 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)C[NH2+]1 ZINC000627195451 469840346 /nfs/dbraw/zinc/84/03/46/469840346.db2.gz KXJVNSFWEGRGAX-PBHICJAKSA-N 1 3 336.455 2.039 10 0 EEAEHO O[C@]1(C[NH2+]C[C@H]2CCN2C2CCCC2)CCN(Cc2ccccc2)C1 ZINC000634722271 470286425 /nfs/dbraw/zinc/28/64/25/470286425.db2.gz MOGBWHRDKDXDBH-RTWAWAEBSA-N 1 3 343.515 2.230 10 0 EEAEHO C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H](c1ccccc1)N(C)C ZINC000654561769 471072546 /nfs/dbraw/zinc/07/25/46/471072546.db2.gz PAVXKEWDPBYVQI-ONIAQPFYSA-N 1 3 332.492 2.317 10 0 EEAEHO O=C1CCCN1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000651997486 471198158 /nfs/dbraw/zinc/19/81/58/471198158.db2.gz GJRVBBOTJOFKGH-YQQQUEKLSA-N 1 3 327.472 2.394 10 0 EEAEHO O=C1CCCN1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000651997486 471198168 /nfs/dbraw/zinc/19/81/68/471198168.db2.gz GJRVBBOTJOFKGH-YQQQUEKLSA-N 1 3 327.472 2.394 10 0 EEAEHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H](CN)C(F)(F)F)cc1 ZINC000655514111 471359158 /nfs/dbraw/zinc/35/91/58/471359158.db2.gz MYHAQUCWXTYWAW-CQSZACIVSA-N 1 3 347.381 2.027 10 0 EEAEHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H](CN)C(F)(F)F)cc1 ZINC000655514110 471359586 /nfs/dbraw/zinc/35/95/86/471359586.db2.gz MYHAQUCWXTYWAW-AWEZNQCLSA-N 1 3 347.381 2.027 10 0 EEAEHO CSc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccn1 ZINC000666497463 471424244 /nfs/dbraw/zinc/42/42/44/471424244.db2.gz DHTWBOVMEGJVEZ-ZDUSSCGKSA-N 1 3 339.509 2.197 10 0 EEAEHO CSc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccn1 ZINC000666497463 471424248 /nfs/dbraw/zinc/42/42/48/471424248.db2.gz DHTWBOVMEGJVEZ-ZDUSSCGKSA-N 1 3 339.509 2.197 10 0 EEAEHO CCN(C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)[C@H]1CCN(C)C1 ZINC000663620937 471450698 /nfs/dbraw/zinc/45/06/98/471450698.db2.gz SLHDQQKQWZEAIL-ROUUACIJSA-N 1 3 338.540 2.479 10 0 EEAEHO Cc1c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cccc1N(C)C ZINC000666571837 471452420 /nfs/dbraw/zinc/45/24/20/471452420.db2.gz CFKCRAXTCPRHPO-HNNXBMFYSA-N 1 3 349.523 2.455 10 0 EEAEHO Cc1c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cccc1N(C)C ZINC000666571837 471452423 /nfs/dbraw/zinc/45/24/23/471452423.db2.gz CFKCRAXTCPRHPO-HNNXBMFYSA-N 1 3 349.523 2.455 10 0 EEAEHO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659038604 471480535 /nfs/dbraw/zinc/48/05/35/471480535.db2.gz TXYCODXXVMVMIC-QGZVFWFLSA-N 1 3 334.464 2.151 10 0 EEAEHO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659044479 471485396 /nfs/dbraw/zinc/48/53/96/471485396.db2.gz UZZVADUXXZRAJF-ZWKOTPCHSA-N 1 3 346.475 2.296 10 0 EEAEHO CC[C@H](CN1CCCC1)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000669530019 471536112 /nfs/dbraw/zinc/53/61/12/471536112.db2.gz NUEBBVGLLDTOCT-GOSISDBHSA-N 1 3 332.492 2.074 10 0 EEAEHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC2CC1(C[NH3+])C2)C1CC1 ZINC000659484246 471650633 /nfs/dbraw/zinc/65/06/33/471650633.db2.gz QVAKUQDVSHKIHD-KGXSXCIVSA-N 1 3 342.487 2.030 10 0 EEAEHO CCN(C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)[C@@H]1CCN(CC)C1 ZINC000664498797 471770306 /nfs/dbraw/zinc/77/03/06/471770306.db2.gz OHUKFDKDCGCEBB-ZWKOTPCHSA-N 1 3 338.540 2.480 10 0 EEAEHO CCN(C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CCN(CC)C1 ZINC000664498797 471770311 /nfs/dbraw/zinc/77/03/11/471770311.db2.gz OHUKFDKDCGCEBB-ZWKOTPCHSA-N 1 3 338.540 2.480 10 0 EEAEHO CN(CCC[NH+]1CCCC1)C(=O)CCN1CCc2ccccc2C1 ZINC000667999546 471975723 /nfs/dbraw/zinc/97/57/23/471975723.db2.gz QXHRUCBXCQWLRA-UHFFFAOYSA-N 1 3 329.488 2.379 10 0 EEAEHO c1c(N2CCNCC2)n[nH]c1[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000662337922 472077570 /nfs/dbraw/zinc/07/75/70/472077570.db2.gz NUEUFMPYNYDBGT-XMTFNYHQSA-N 1 3 343.519 2.435 10 0 EEAEHO c1c(N2CCNCC2)n[nH]c1[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000662337922 472077572 /nfs/dbraw/zinc/07/75/72/472077572.db2.gz NUEUFMPYNYDBGT-XMTFNYHQSA-N 1 3 343.519 2.435 10 0 EEAEHO CC(C)[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665761823 472178122 /nfs/dbraw/zinc/17/81/22/472178122.db2.gz QXHLMVCRPSRHDK-DLBZAZTESA-N 1 3 326.529 2.336 10 0 EEAEHO CC(C)[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665761823 472178130 /nfs/dbraw/zinc/17/81/30/472178130.db2.gz QXHLMVCRPSRHDK-DLBZAZTESA-N 1 3 326.529 2.336 10 0 EEAEHO CC1(C)CN(C(=O)CC[NH3+])[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000662758479 472238490 /nfs/dbraw/zinc/23/84/90/472238490.db2.gz PAVKSDSAKJZUCK-IBGZPJMESA-N 1 3 329.488 2.484 10 0 EEAEHO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000684370239 485860316 /nfs/dbraw/zinc/86/03/16/485860316.db2.gz QGXPXGALFKQIHF-UXHICEINSA-N 1 3 331.504 2.481 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1CNC(=O)CCN1CCc2ccccc2C1 ZINC000416237212 528233057 /nfs/dbraw/zinc/23/30/57/528233057.db2.gz BHUKTRSBGWCWMC-IBGZPJMESA-N 1 3 329.488 2.425 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1CNC(=O)CCN1CCc2ccccc2C1 ZINC000416237212 528233061 /nfs/dbraw/zinc/23/30/61/528233061.db2.gz BHUKTRSBGWCWMC-IBGZPJMESA-N 1 3 329.488 2.425 10 0 EEAEHO CCC[NH+]1CCC(CNC(=S)NC[C@H]2CCCN2CC)CC1 ZINC000748596908 576353857 /nfs/dbraw/zinc/35/38/57/576353857.db2.gz JCULWJPAPNJVSK-MRXNPFEDSA-N 1 3 326.554 2.057 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCCOC(C)C)C1)N(C)C ZINC001267113796 1178272340 /nfs/dbraw/zinc/27/23/40/1178272340.db2.gz SFBJTXGNQYZTRN-IRXDYDNUSA-N 1 3 327.513 2.065 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCCOC(C)C)C1)N(C)C ZINC001267113796 1178272347 /nfs/dbraw/zinc/27/23/47/1178272347.db2.gz SFBJTXGNQYZTRN-IRXDYDNUSA-N 1 3 327.513 2.065 10 0 EEAEHO CC[C@H](F)C[NH2+]CC[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001267885841 1180686639 /nfs/dbraw/zinc/68/66/39/1180686639.db2.gz BJBQJMNWJFDWDV-HOTGVXAUSA-N 1 3 327.488 2.437 10 0 EEAEHO CC1CCN(CC(=O)N(C)CC[NH2+]Cc2cccc(N(C)C)c2)CC1 ZINC001481295435 1180937945 /nfs/dbraw/zinc/93/79/45/1180937945.db2.gz VDVBCHVYHBVXPN-UHFFFAOYSA-N 1 3 346.519 2.033 10 0 EEAEHO CC(C)OCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001268169195 1181926820 /nfs/dbraw/zinc/92/68/20/1181926820.db2.gz ACHMRUFKTZLFTL-IAGOWNOFSA-N 1 3 339.524 2.112 10 0 EEAEHO O=C(CCCC[NH+]1CCCC1)N1CC[C@H]2[C@H](CCN2CCF)C1 ZINC001268269182 1182117685 /nfs/dbraw/zinc/11/76/85/1182117685.db2.gz LMXJJURDNQNTSB-SJORKVTESA-N 1 3 325.472 2.145 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]Cc1ccc2c(c1)COC2 ZINC001268426635 1182594808 /nfs/dbraw/zinc/59/48/08/1182594808.db2.gz QLCFLUCPMAXPIQ-OAHLLOKOSA-N 1 3 333.476 2.041 10 0 EEAEHO C[N@@H+]1CC[C@@H](C(=O)N[C@](C)(CNCc2ccccc2F)C2CC2)C1 ZINC001481953341 1183030084 /nfs/dbraw/zinc/03/00/84/1183030084.db2.gz XSAQDIZRVBSECP-DNVCBOLYSA-N 1 3 333.451 2.152 10 0 EEAEHO C[N@H+]1CC[C@@H](C(=O)N[C@](C)(CNCc2ccccc2F)C2CC2)C1 ZINC001481953341 1183030092 /nfs/dbraw/zinc/03/00/92/1183030092.db2.gz XSAQDIZRVBSECP-DNVCBOLYSA-N 1 3 333.451 2.152 10 0 EEAEHO C[C@H](C(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CC1)N1CCCCCC1 ZINC001269124268 1183983253 /nfs/dbraw/zinc/98/32/53/1183983253.db2.gz HSYMGWNNSBOJAK-YRPJOXRESA-N 1 3 327.900 2.488 10 0 EEAEHO CC(C)=CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CCOCC1 ZINC001271087037 1185869691 /nfs/dbraw/zinc/86/96/91/1185869691.db2.gz VCJKKWAEKDRYEC-IAGOWNOFSA-N 1 3 337.508 2.080 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cccnc1 ZINC001482464400 1185949229 /nfs/dbraw/zinc/94/92/29/1185949229.db2.gz YJBPSXPMCVISGU-SFHVURJKSA-N 1 3 332.492 2.284 10 0 EEAEHO C[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1CNCCF ZINC001271758855 1186464037 /nfs/dbraw/zinc/46/40/37/1186464037.db2.gz IAUKDNLLUYGMAZ-IRXDYDNUSA-N 1 3 327.488 2.439 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001482699975 1187678267 /nfs/dbraw/zinc/67/82/67/1187678267.db2.gz XVAMSTZTLGSPFN-RTBURBONSA-N 1 3 331.504 2.444 10 0 EEAEHO Cc1cncc(CNC/C=C/CNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001483010433 1187992955 /nfs/dbraw/zinc/99/29/55/1187992955.db2.gz LASPUQDAONACOL-AATRIKPKSA-N 1 3 344.503 2.417 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cnc(Cl)s1)N(C)C ZINC001272863738 1193582518 /nfs/dbraw/zinc/58/25/18/1193582518.db2.gz APIVBRCGDXPHOE-ZYHUDNBSSA-N 1 3 332.901 2.121 10 0 EEAEHO COc1ccc(C[N@H+](C)[C@H](C)CNC(=O)CN2CC[C@H](C)C2)cc1C ZINC001409615278 1190102060 /nfs/dbraw/zinc/10/20/60/1190102060.db2.gz INLHXAGYBVKBEM-DOTOQJQBSA-N 1 3 347.503 2.282 10 0 EEAEHO COc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CN2CC[C@H](C)C2)cc1C ZINC001409615278 1190102062 /nfs/dbraw/zinc/10/20/62/1190102062.db2.gz INLHXAGYBVKBEM-DOTOQJQBSA-N 1 3 347.503 2.282 10 0 EEAEHO C[C@H]1[C@H](NCc2cccc(Cl)n2)CCN1C(=O)CCC[NH+](C)C ZINC001486084619 1193676983 /nfs/dbraw/zinc/67/69/83/1193676983.db2.gz KXOLSFYBMAYZCB-DZGCQCFKSA-N 1 3 338.883 2.156 10 0 EEAEHO C[C@H](O)CCC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001483959410 1191128127 /nfs/dbraw/zinc/12/81/27/1191128127.db2.gz SYYFKAWFPRIEJC-LPHOPBHVSA-N 1 3 347.503 2.103 10 0 EEAEHO Cc1ccc(C[NH2+]C2(CNC(=O)CN3CC[C@@H](C)C3)CCC2)c(C)n1 ZINC001484653348 1191457360 /nfs/dbraw/zinc/45/73/60/1191457360.db2.gz PBFAGGFZGYXKPW-OAHLLOKOSA-N 1 3 344.503 2.169 10 0 EEAEHO CN(CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)CCC(F)(F)F ZINC001484742567 1191494894 /nfs/dbraw/zinc/49/48/94/1191494894.db2.gz GOVACAQFWBFLLN-CQSZACIVSA-N 1 3 335.414 2.061 10 0 EEAEHO CN(CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)Cc1cccnc1 ZINC001484745466 1191496728 /nfs/dbraw/zinc/49/67/28/1191496728.db2.gz HBEUCRPXWUIYPE-GOSISDBHSA-N 1 3 332.492 2.236 10 0 EEAEHO CN(CCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C)Cc1cccnc1 ZINC001484745466 1191496729 /nfs/dbraw/zinc/49/67/29/1191496729.db2.gz HBEUCRPXWUIYPE-GOSISDBHSA-N 1 3 332.492 2.236 10 0 EEAEHO CCC1([NH2+]CC[C@H]2CCCCO2)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001484817151 1191538396 /nfs/dbraw/zinc/53/83/96/1191538396.db2.gz XYKCQQDIQLSQJY-QGZVFWFLSA-N 1 3 348.491 2.272 10 0 EEAEHO CCC1([NH2+]Cc2ccns2)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001484820303 1191539789 /nfs/dbraw/zinc/53/97/89/1191539789.db2.gz NLBSTDWIKSDPGL-UHFFFAOYSA-N 1 3 338.521 2.344 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCc2ccccc2)CC1 ZINC001484913506 1191572146 /nfs/dbraw/zinc/57/21/46/1191572146.db2.gz QAWQTGCLWBWDCC-SFHVURJKSA-N 1 3 329.488 2.294 10 0 EEAEHO CCc1noc(C)c1CNC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001486409835 1193917948 /nfs/dbraw/zinc/91/79/48/1193917948.db2.gz JQJVPVMLVGPKDZ-INIZCTEOSA-N 1 3 338.496 2.118 10 0 EEAEHO COCC[NH2+]C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C(C)(C)C ZINC001486418093 1193948064 /nfs/dbraw/zinc/94/80/64/1193948064.db2.gz SBTKOPKIBDTRFI-JKSUJKDBSA-N 1 3 327.513 2.018 10 0 EEAEHO CN(C[C@@H]1CCN1CCCCCF)C(=O)CC1CC[NH+](C)CC1 ZINC001691666249 1194305500 /nfs/dbraw/zinc/30/55/00/1194305500.db2.gz UMFHNYJKYJCFEG-KRWDZBQOSA-N 1 3 327.488 2.391 10 0 EEAEHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]21)N(C)C ZINC001410165792 1197577310 /nfs/dbraw/zinc/57/73/10/1197577310.db2.gz YBLPSJJQESYSNS-ZJPYXAASSA-N 1 3 333.520 2.201 10 0 EEAEHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]21)N(C)C ZINC001410165792 1197577314 /nfs/dbraw/zinc/57/73/14/1197577314.db2.gz YBLPSJJQESYSNS-ZJPYXAASSA-N 1 3 333.520 2.201 10 0 EEAEHO CN(CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2C1)C1CCC1 ZINC001410196665 1197598568 /nfs/dbraw/zinc/59/85/68/1197598568.db2.gz MLBDLLRUEATRTO-XCTPRIKFSA-N 1 3 339.911 2.440 10 0 EEAEHO CN(CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2C1)C1CCC1 ZINC001410196665 1197598572 /nfs/dbraw/zinc/59/85/72/1197598572.db2.gz MLBDLLRUEATRTO-XCTPRIKFSA-N 1 3 339.911 2.440 10 0 EEAEHO CC(C)(O)C[C@H](O)CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000872208063 1198086473 /nfs/dbraw/zinc/08/64/73/1198086473.db2.gz BPQPTZRLBPMESC-MOPGFXCFSA-N 1 3 334.504 2.400 10 0 EEAEHO CC(C)(O)C[C@H](O)CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000872208063 1198086481 /nfs/dbraw/zinc/08/64/81/1198086481.db2.gz BPQPTZRLBPMESC-MOPGFXCFSA-N 1 3 334.504 2.400 10 0 EEAEHO CC(C)(O)C[C@H](O)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000872208063 1198086494 /nfs/dbraw/zinc/08/64/94/1198086494.db2.gz BPQPTZRLBPMESC-MOPGFXCFSA-N 1 3 334.504 2.400 10 0 EEAEHO CCN1CCN([C@H](C)C[NH2+]Cc2cnc3c(F)cccc3c2)CC1 ZINC000865413948 1198205208 /nfs/dbraw/zinc/20/52/08/1198205208.db2.gz DMGIGOCFRUPUJY-OAHLLOKOSA-N 1 3 330.451 2.490 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1N(CCC(F)(F)F)CC2 ZINC001410914047 1198568739 /nfs/dbraw/zinc/56/87/39/1198568739.db2.gz QTBDDXLKLVJIPR-UKRRQHHQSA-N 1 3 335.414 2.394 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@@]12CCC[C@H]1N(CCC(F)(F)F)CC2 ZINC001410914047 1198568741 /nfs/dbraw/zinc/56/87/41/1198568741.db2.gz QTBDDXLKLVJIPR-UKRRQHHQSA-N 1 3 335.414 2.394 10 0 EEAEHO C[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000810177379 1199331624 /nfs/dbraw/zinc/33/16/24/1199331624.db2.gz QHDACLKMBYEOTG-CRAIPNDOSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000813113212 1201123273 /nfs/dbraw/zinc/12/32/73/1201123273.db2.gz CCKLUTGPTYHEHI-KBXCAEBGSA-N 1 3 327.488 2.388 10 0 EEAEHO C[C@H](Cn1cncn1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886516429 1202517349 /nfs/dbraw/zinc/51/73/49/1202517349.db2.gz HNIJJLSKPRVJJQ-BVBHFADKSA-N 1 3 325.460 2.309 10 0 EEAEHO CC1CCN(CC(=O)NC/C=C\C[NH2+]CCc2ccccc2)CC1 ZINC001274464073 1205048347 /nfs/dbraw/zinc/04/83/47/1205048347.db2.gz KDFAJMOGUPEBDB-WAYWQWQTSA-N 1 3 329.488 2.223 10 0 EEAEHO CCOC(=O)COc1ccc(CCN[C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925573833 1206130358 /nfs/dbraw/zinc/13/03/58/1206130358.db2.gz REDDHZZFDZVOPR-IAGOWNOFSA-N 1 3 332.444 2.031 10 0 EEAEHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc(CN3CCNC3=O)cc2)C1 ZINC000925728810 1206146777 /nfs/dbraw/zinc/14/67/77/1206146777.db2.gz WUPOLIFUVHKHAF-IAGOWNOFSA-N 1 3 330.476 2.207 10 0 EEAEHO C[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000925843416 1206159208 /nfs/dbraw/zinc/15/92/08/1206159208.db2.gz NHZJSHCHDMCTKM-MJUUVYJYSA-N 1 3 343.515 2.398 10 0 EEAEHO Cc1nc2c(s1)[C@H](NC[C@@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCC2 ZINC000925851526 1206160857 /nfs/dbraw/zinc/16/08/57/1206160857.db2.gz FYFDXFGXPUVEIG-QWHCGFSZSA-N 1 3 335.473 2.104 10 0 EEAEHO CC(C)C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccn1 ZINC000925853766 1206161446 /nfs/dbraw/zinc/16/14/46/1206161446.db2.gz REOONAWFVAVAII-WBVHZDCISA-N 1 3 331.460 2.444 10 0 EEAEHO C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000931216623 1206616579 /nfs/dbraw/zinc/61/65/79/1206616579.db2.gz ICIOOLBPNWSUSL-YKTARERQSA-N 1 3 333.520 2.343 10 0 EEAEHO c1ccc2c(c1)COC21CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903731528 1241756292 /nfs/dbraw/zinc/75/62/92/1241756292.db2.gz ABLOTQMAJHDWTN-MJGOQNOKSA-N 1 3 328.456 2.277 10 0 EEAEHO c1ccc(C2([NH+]3CCCC3)CCN(C[C@H]3CNCCO3)CC2)cc1 ZINC000903824217 1242090148 /nfs/dbraw/zinc/09/01/48/1242090148.db2.gz NJWYBYNKHUBHGK-LJQANCHMSA-N 1 3 329.488 2.062 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN(C)CCOc2cccc(C)c2)cnn1C ZINC000903875824 1242276521 /nfs/dbraw/zinc/27/65/21/1242276521.db2.gz COJSRYDIVIFRRW-QGZVFWFLSA-N 1 3 330.476 2.165 10 0 EEAEHO COc1ccc(Cl)cc1CN[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001491050851 1258613950 /nfs/dbraw/zinc/61/39/50/1258613950.db2.gz OLSZDAOTNGVYCG-GASCZTMLSA-N 1 3 339.867 2.037 10 0 EEAEHO COC[C@@H](C)N1CCC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001493118905 1285998690 /nfs/dbraw/zinc/99/86/90/1285998690.db2.gz IFNRVCFADWOLJJ-WBVHZDCISA-N 1 3 339.524 2.255 10 0 EEAEHO COC[C@@H](C)N1CCC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001493118905 1285998695 /nfs/dbraw/zinc/99/86/95/1285998695.db2.gz IFNRVCFADWOLJJ-WBVHZDCISA-N 1 3 339.524 2.255 10 0 EEAEHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+]Cc2ccns2)C1 ZINC001489240209 1290490698 /nfs/dbraw/zinc/49/06/98/1290490698.db2.gz LJFVHYVFJMAKEP-HNNXBMFYSA-N 1 3 338.521 2.346 10 0 EEAEHO COCCC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001489341258 1290528033 /nfs/dbraw/zinc/52/80/33/1290528033.db2.gz CQYQNQKNVGFWSI-MRXNPFEDSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001489341258 1290528038 /nfs/dbraw/zinc/52/80/38/1290528038.db2.gz CQYQNQKNVGFWSI-MRXNPFEDSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCNCc2cnc(C)o2)CC[N@@H+]1C ZINC001277193332 1301749259 /nfs/dbraw/zinc/74/92/59/1301749259.db2.gz DQHHQVFDNAEJHG-RRQGHBQHSA-N 1 3 336.480 2.088 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCNCc2cnc(C)o2)CC[N@H+]1C ZINC001277193332 1301749265 /nfs/dbraw/zinc/74/92/65/1301749265.db2.gz DQHHQVFDNAEJHG-RRQGHBQHSA-N 1 3 336.480 2.088 10 0 EEAEHO CCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C(F)(F)F ZINC001278705637 1317804260 /nfs/dbraw/zinc/80/42/60/1317804260.db2.gz XSIWWVHXZFIJPL-HUUCEWRRSA-N 1 3 349.441 2.355 10 0 EEAEHO CCN1CCC([N@@H+]2CCCN(C(=O)c3cccc(F)c3N)CC2)CC1 ZINC001162190785 1320778891 /nfs/dbraw/zinc/77/88/91/1320778891.db2.gz GVFCABCNPQZBPP-UHFFFAOYSA-N 1 3 348.466 2.040 10 0 EEAEHO CCN1CCC([N@H+]2CCCN(C(=O)c3cccc(F)c3N)CC2)CC1 ZINC001162190785 1320778904 /nfs/dbraw/zinc/77/89/04/1320778904.db2.gz GVFCABCNPQZBPP-UHFFFAOYSA-N 1 3 348.466 2.040 10 0 EEAEHO COCCCCN1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001263816582 1322524966 /nfs/dbraw/zinc/52/49/66/1322524966.db2.gz FCSKDZPJPXTMDD-SFHVURJKSA-N 1 3 339.524 2.066 10 0 EEAEHO CCOCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001264742699 1322799651 /nfs/dbraw/zinc/79/96/51/1322799651.db2.gz CUNQFOUTLKKHTE-MSOLQXFVSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001264742699 1322799655 /nfs/dbraw/zinc/79/96/55/1322799655.db2.gz CUNQFOUTLKKHTE-MSOLQXFVSA-N 1 3 339.524 2.068 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CCN(CCOCC)CC2)C1 ZINC001265196082 1322979757 /nfs/dbraw/zinc/97/97/57/1322979757.db2.gz XIEBMWMYOOPDMC-KRWDZBQOSA-N 1 3 339.524 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CN(CC(=O)NCCC[C@H]1CCC[N@H+]1Cc1ccccn1)C1CCC1 ZINC001492158080 1331021360 /nfs/dbraw/zinc/02/13/60/1331021360.db2.gz OODMTSCSRZMVAF-IBGZPJMESA-N 1 3 344.503 2.427 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1cccnc1C ZINC001316893230 1331959481 /nfs/dbraw/zinc/95/94/81/1331959481.db2.gz NVPYYGPHNWBCBC-IBGZPJMESA-N 1 3 344.503 2.060 10 0 EEAEHO CCCCOCCN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317174750 1332114319 /nfs/dbraw/zinc/11/43/19/1332114319.db2.gz VXWBSDXIJMCHMM-FGTMMUONSA-N 1 3 339.524 2.114 10 0 EEAEHO CCCCOCCN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317174750 1332114320 /nfs/dbraw/zinc/11/43/20/1332114320.db2.gz VXWBSDXIJMCHMM-FGTMMUONSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCCF)N1CCCCC1 ZINC001320135890 1332835657 /nfs/dbraw/zinc/83/56/57/1332835657.db2.gz XZCSPSGYURIBJE-HZPDHXFCSA-N 1 3 327.488 2.485 10 0 EEAEHO CC[C@H](C(=O)NC/C=C\C[NH2+]C[C@@H]1CCc2ccccc2C1)N(C)C ZINC001321108241 1333020920 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EEAEHO CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCCC2CCCC2)C1)N(C)C ZINC001327033849 1334208338 /nfs/dbraw/zinc/20/83/38/1334208338.db2.gz FAWQOTRBWNYXNF-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCCc1ccsc1 ZINC001329170675 1334599150 /nfs/dbraw/zinc/59/91/50/1334599150.db2.gz JGZOHFYBNBWNGR-CHWSQXEVSA-N 1 3 334.489 2.438 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCCCCF)CC1 ZINC001666195585 1355481993 /nfs/dbraw/zinc/48/19/93/1355481993.db2.gz VZDPETPWUZFQCK-KRWDZBQOSA-N 1 3 327.488 2.439 10 0 EEAEHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C[NH2+]CCCF ZINC001569836978 1342955650 /nfs/dbraw/zinc/95/56/50/1342955650.db2.gz JDAJLKSEMFJBCM-CVEARBPZSA-N 1 3 327.488 2.295 10 0 EEAEHO C[C@H](NCc1ccnc(Cl)c1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001570630806 1343095061 /nfs/dbraw/zinc/09/50/61/1343095061.db2.gz LWIOZQQOQUECAZ-STQMWFEESA-N 1 3 338.883 2.060 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCOc2cccc(C)c2)C[C@@H]1C ZINC001571491213 1343219194 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CC(C)OCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1C ZINC001656982117 1354306623 /nfs/dbraw/zinc/30/66/23/1354306623.db2.gz BMVHPLHEINSECQ-SJORKVTESA-N 1 3 339.524 2.255 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCOc1ccccc1 ZINC001662351482 1354785038 /nfs/dbraw/zinc/78/50/38/1354785038.db2.gz WJSUWJJFSCUAEH-PKOBYXMFSA-N 1 3 347.503 2.423 10 0 EEAEHO CC(C)[N@H+](CCCNC(=O)C1(N(C)C)CCC1)C[C@@H]1CCCOC1 ZINC001664514091 1355182644 /nfs/dbraw/zinc/18/26/44/1355182644.db2.gz XZXBVSFXDIVBEI-KRWDZBQOSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)C[C@@H]1CCCOC1 ZINC001664514091 1355182650 /nfs/dbraw/zinc/18/26/50/1355182650.db2.gz XZXBVSFXDIVBEI-KRWDZBQOSA-N 1 3 339.524 2.114 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccc(F)cn2)C1 ZINC001666134908 1355462354 /nfs/dbraw/zinc/46/23/54/1355462354.db2.gz IJYSSXTZNQNMAT-MAUKXSAKSA-N 1 3 348.466 2.033 10 0 EEAEHO Cc1nc(C)c(CNCC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001667306971 1355705149 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C[C@@H](CN1CCOCC1)CN1CCC([NH2+]Cc2ccccc2)CC1 ZINC001473490165 1110576234 /nfs/dbraw/zinc/57/62/34/1110576234.db2.gz WIJDDDUSDZZQKB-GOSISDBHSA-N 1 3 331.504 2.209 10 0 EEAEHO C[C@@H](CN1CCOCC1)C[NH+]1CCC(NCc2ccccc2)CC1 ZINC001473490165 1110576235 /nfs/dbraw/zinc/57/62/35/1110576235.db2.gz WIJDDDUSDZZQKB-GOSISDBHSA-N 1 3 331.504 2.209 10 0 EEAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CC2CC(F)(F)C2)CC1 ZINC001499461715 1112297640 /nfs/dbraw/zinc/29/76/40/1112297640.db2.gz NUGJXRAFZWKQTH-CHWSQXEVSA-N 1 3 329.435 2.143 10 0 EEAEHO CCCCOCC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001499619852 1112416522 /nfs/dbraw/zinc/41/65/22/1112416522.db2.gz QIHCYQLUZBPCSW-IBGZPJMESA-N 1 3 339.524 2.068 10 0 EEAEHO CCCCOCC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001499619852 1112416523 /nfs/dbraw/zinc/41/65/23/1112416523.db2.gz QIHCYQLUZBPCSW-IBGZPJMESA-N 1 3 339.524 2.068 10 0 EEAEHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(C)cc2)CCOCC1 ZINC001500594620 1112962871 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2.216 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCCO2)CC1(C)C ZINC001502838310 1113829854 /nfs/dbraw/zinc/82/98/54/1113829854.db2.gz FMWFKGOSXQNSPD-IRXDYDNUSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)CC1(C)C ZINC001502838310 1113829858 /nfs/dbraw/zinc/82/98/58/1113829858.db2.gz FMWFKGOSXQNSPD-IRXDYDNUSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@@H](C)[NH2+]CCOC1CCC1 ZINC001505606616 1114082147 /nfs/dbraw/zinc/08/21/47/1114082147.db2.gz UUCXEVUPBLCLLA-HZPDHXFCSA-N 1 3 339.524 2.303 10 0 EEAEHO CN(CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCc3cccs3)C[C@H]21)C1CCC1 ZINC001506795858 1114884768 /nfs/dbraw/zinc/88/47/68/1114884768.db2.gz SQWPZJMBLGSQLE-NNZMDNLPSA-N 1 3 347.528 2.069 10 0 EEAEHO CN(CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCc3cccs3)C[C@H]21)C1CCC1 ZINC001506795858 1114884771 /nfs/dbraw/zinc/88/47/71/1114884771.db2.gz SQWPZJMBLGSQLE-NNZMDNLPSA-N 1 3 347.528 2.069 10 0 EEAEHO Cc1ncc(CN[C@@H](C)CN(C)C(=O)C23CCC[NH+]2CCC3)s1 ZINC001507095893 1115105810 /nfs/dbraw/zinc/10/58/10/1115105810.db2.gz KGAMXFYVZIBDOX-ZDUSSCGKSA-N 1 3 336.505 2.016 10 0 EEAEHO Cc1ccccc1CCC[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001507130132 1115124087 /nfs/dbraw/zinc/12/40/87/1115124087.db2.gz RTVSKUCLPRTNKU-MRXNPFEDSA-N 1 3 328.460 2.330 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCCC2CCOCC2)[C@H]1C ZINC001507291939 1115176855 /nfs/dbraw/zinc/17/68/55/1115176855.db2.gz GNCSVJMLUBXTFB-SJLPKXTDSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)CN1C(=O)Cc1c[nH]cn1 ZINC001507326871 1115194042 /nfs/dbraw/zinc/19/40/42/1115194042.db2.gz NSUIXTDZYUKCOW-KDOFPFPSSA-N 1 3 344.434 2.303 10 0 EEAEHO CC(C)=CCN[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001508089104 1115417046 /nfs/dbraw/zinc/41/70/46/1115417046.db2.gz XHZHYDZSFYVCEB-ZIAGYGMSSA-N 1 3 335.414 2.273 10 0 EEAEHO Cc1ccc(F)c(N)c1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001542527760 1124113926 /nfs/dbraw/zinc/11/39/26/1124113926.db2.gz YTCUQMUNYFXOEQ-UHFFFAOYSA-N 1 3 348.466 2.005 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCc1ccns1 ZINC001569085096 1125088372 /nfs/dbraw/zinc/08/83/72/1125088372.db2.gz SUAQRYJRYPXKRU-HOCLYGCPSA-N 1 3 338.521 2.043 10 0 EEAEHO C[C@@H](C[NH2+]CCc1ccns1)NC(=O)c1cccc(CN(C)C)c1 ZINC001569098874 1125097156 /nfs/dbraw/zinc/09/71/56/1125097156.db2.gz ICLKQBHPWALMDX-AWEZNQCLSA-N 1 3 346.500 2.155 10 0 EEAEHO CN(CCC[NH2+]Cc1ccc(F)c(Cl)c1)C(=O)Cc1c[nH]cn1 ZINC001569242780 1125189604 /nfs/dbraw/zinc/18/96/04/1125189604.db2.gz LSRRPBVFDICXFX-UHFFFAOYSA-N 1 3 338.814 2.383 10 0 EEAEHO CN(CC1CC[NH+](C)CC1)C(=O)CCN1CCc2ccccc2C1 ZINC000416148113 529865281 /nfs/dbraw/zinc/86/52/81/529865281.db2.gz CMRUXFJVOFBIQO-UHFFFAOYSA-N 1 3 329.488 2.235 10 0 EEAEHO C[N@H+](CCOc1cccc(CN[C@@H]2CCCOC2)c1)C1CCOCC1 ZINC000163967426 539537241 /nfs/dbraw/zinc/53/72/41/539537241.db2.gz BGWKLOWCMKYWTE-GOSISDBHSA-N 1 3 348.487 2.445 10 0 EEAEHO C[N@@H+](CCOc1cccc(CN[C@@H]2CCCOC2)c1)C1CCOCC1 ZINC000163967426 539537244 /nfs/dbraw/zinc/53/72/44/539537244.db2.gz BGWKLOWCMKYWTE-GOSISDBHSA-N 1 3 348.487 2.445 10 0 EEAEHO CC(C)N1CCN(C2CC[NH+](C[C@](C)(O)c3ccccc3)CC2)CC1 ZINC000270860590 256180490 /nfs/dbraw/zinc/18/04/90/256180490.db2.gz IBBVYYBVZGJZCM-NRFANRHFSA-N 1 3 345.531 2.385 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@@H]1c1ccccc1 ZINC000251541330 160389688 /nfs/dbraw/zinc/38/96/88/160389688.db2.gz GHCLJXMWRAVRBP-SZMVWBNQSA-N 1 3 330.476 2.025 10 0 EEAEHO CN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261548078 160398576 /nfs/dbraw/zinc/39/85/76/160398576.db2.gz JBOWKVAWGYXWGP-ZWKOTPCHSA-N 1 3 327.472 2.109 10 0 EEAEHO CN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000342509688 161070576 /nfs/dbraw/zinc/07/05/76/161070576.db2.gz MVOPCUNTLIAGIH-LJQANCHMSA-N 1 3 344.503 2.169 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272666628 269005734 /nfs/dbraw/zinc/00/57/34/269005734.db2.gz OCGPZKNENYPNBA-GOSISDBHSA-N 1 3 346.519 2.190 10 0 EEAEHO COc1ccc([C@H](CN(C)C)NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000291744025 275335804 /nfs/dbraw/zinc/33/58/04/275335804.db2.gz YXGWQWXEGLTPIC-SFHVURJKSA-N 1 3 333.476 2.146 10 0 EEAEHO C[NH+]1CCC(CC(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000291755565 275337128 /nfs/dbraw/zinc/33/71/28/275337128.db2.gz UXRSNRNTHINUGG-UHFFFAOYSA-N 1 3 330.476 2.146 10 0 EEAEHO Cc1cc2ncn(C[C@@H](O)CN3CC[C@]4(CC[N@@H+](C)C4)C3)c2cc1C ZINC000292063884 275370415 /nfs/dbraw/zinc/37/04/15/275370415.db2.gz CSZFVHONUBNSIT-PXNSSMCTSA-N 1 3 342.487 2.042 10 0 EEAEHO Cc1cc2ncn(C[C@@H](O)CN3CC[C@]4(CC[N@H+](C)C4)C3)c2cc1C ZINC000292063884 275370416 /nfs/dbraw/zinc/37/04/16/275370416.db2.gz CSZFVHONUBNSIT-PXNSSMCTSA-N 1 3 342.487 2.042 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297507630 294264235 /nfs/dbraw/zinc/26/42/35/294264235.db2.gz XLZBYOBVAFOWJU-HRVKUGKESA-N 1 3 344.503 2.084 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297507630 294264237 /nfs/dbraw/zinc/26/42/37/294264237.db2.gz XLZBYOBVAFOWJU-HRVKUGKESA-N 1 3 344.503 2.084 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)NCCN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000174267240 297257212 /nfs/dbraw/zinc/25/72/12/297257212.db2.gz SYZPYQUFMWIOQB-AEFFLSMTSA-N 1 3 332.492 2.243 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)NCCN(C)Cc2ccccc2)CC[N@H+]1C ZINC000174267240 297257214 /nfs/dbraw/zinc/25/72/14/297257214.db2.gz SYZPYQUFMWIOQB-AEFFLSMTSA-N 1 3 332.492 2.243 10 0 EEAEHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@@H]3CCCSC3)cc2)CC1 ZINC000414324566 312997636 /nfs/dbraw/zinc/99/76/36/312997636.db2.gz KPWGKHQNBIAJJN-GOSISDBHSA-N 1 3 347.528 2.369 10 0 EEAEHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418231467 313756913 /nfs/dbraw/zinc/75/69/13/313756913.db2.gz BTBCQAGPTDYPAQ-KTGAGVNESA-N 1 3 336.524 2.421 10 0 EEAEHO CN1CCN(CC[NH2+]Cc2cc(-n3ccnc3)cs2)CC1(C)C ZINC000441358890 315182029 /nfs/dbraw/zinc/18/20/29/315182029.db2.gz VZQDKLRUPSDHIE-UHFFFAOYSA-N 1 3 333.505 2.049 10 0 EEAEHO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000516164057 316538530 /nfs/dbraw/zinc/53/85/30/316538530.db2.gz BRGGMASVNILFGS-UHFFFAOYSA-N 1 3 334.439 2.467 10 0 EEAEHO CC1CCC(N2CCN(C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)CC1 ZINC000529363908 317580399 /nfs/dbraw/zinc/58/03/99/317580399.db2.gz WMASWCNFMHKEFJ-JCYILVPMSA-N 1 3 334.508 2.177 10 0 EEAEHO COC[C@H](C)CN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000557668871 318690323 /nfs/dbraw/zinc/69/03/23/318690323.db2.gz IXSMPDUFFWZPQY-QGZVFWFLSA-N 1 3 335.492 2.032 10 0 EEAEHO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000563506137 319016862 /nfs/dbraw/zinc/01/68/62/319016862.db2.gz PBFFMOXQBYJRRE-AWEZNQCLSA-N 1 3 332.448 2.165 10 0 EEAEHO C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000563506137 319016863 /nfs/dbraw/zinc/01/68/63/319016863.db2.gz PBFFMOXQBYJRRE-AWEZNQCLSA-N 1 3 332.448 2.165 10 0 EEAEHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000574548847 320035937 /nfs/dbraw/zinc/03/59/37/320035937.db2.gz NOHDBRODGQEHQV-HPBDAGMYSA-N 1 3 330.476 2.119 10 0 EEAEHO CC1(C)CCCN[C@H]1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000581656849 324297339 /nfs/dbraw/zinc/29/73/39/324297339.db2.gz YMRPEEVPIPVJFE-JQHSSLGASA-N 1 3 347.478 2.413 10 0 EEAEHO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000118785111 462852732 /nfs/dbraw/zinc/85/27/32/462852732.db2.gz VGGOGEQPTOWPFO-KRWDZBQOSA-N 1 3 346.519 2.289 10 0 EEAEHO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000118785111 462852735 /nfs/dbraw/zinc/85/27/35/462852735.db2.gz VGGOGEQPTOWPFO-KRWDZBQOSA-N 1 3 346.519 2.289 10 0 EEAEHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000067683385 463036023 /nfs/dbraw/zinc/03/60/23/463036023.db2.gz HAJJKQPIXWOBAX-OALUTQOASA-N 1 3 346.519 2.189 10 0 EEAEHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000067683385 463036026 /nfs/dbraw/zinc/03/60/26/463036026.db2.gz HAJJKQPIXWOBAX-OALUTQOASA-N 1 3 346.519 2.189 10 0 EEAEHO Cc1ccc([C@@H](C)CNC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000077838780 463059967 /nfs/dbraw/zinc/05/99/67/463059967.db2.gz YJANUFLECVKUEP-KRWDZBQOSA-N 1 3 334.508 2.233 10 0 EEAEHO Cc1ccc([C@@H](CNC(=O)COC2CCC([NH3+])CC2)N(C)C)cc1 ZINC000568505941 468347433 /nfs/dbraw/zinc/34/74/33/468347433.db2.gz HTBOVUMNVCNFFJ-DAWZGUTISA-N 1 3 333.476 2.000 10 0 EEAEHO CCn1c2ccccc2nc1CNCCCN1CCC[N@H+](C)CC1 ZINC000105476308 463453618 /nfs/dbraw/zinc/45/36/18/463453618.db2.gz ZHMLFAJQXUXXJW-UHFFFAOYSA-N 1 3 329.492 2.173 10 0 EEAEHO CCn1c2ccccc2nc1CNCCCN1CCC[N@@H+](C)CC1 ZINC000105476308 463453624 /nfs/dbraw/zinc/45/36/24/463453624.db2.gz ZHMLFAJQXUXXJW-UHFFFAOYSA-N 1 3 329.492 2.173 10 0 EEAEHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCCN(C3CC3)CC2)C1 ZINC000194661043 463904266 /nfs/dbraw/zinc/90/42/66/463904266.db2.gz ARTDBWWULVEWQZ-IRXDYDNUSA-N 1 3 336.524 2.234 10 0 EEAEHO CCc1cccc(F)c1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261991269 463920416 /nfs/dbraw/zinc/92/04/16/463920416.db2.gz SJPATFJMMKZEBT-BEFAXECRSA-N 1 3 347.478 2.468 10 0 EEAEHO CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179275938 464096242 /nfs/dbraw/zinc/09/62/42/464096242.db2.gz GVVUYEQVZYCKED-RBUKOAKNSA-N 1 3 344.503 2.415 10 0 EEAEHO CCCn1nc(C)c(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000179515091 464150711 /nfs/dbraw/zinc/15/07/11/464150711.db2.gz XDRRZZJQGOUOKI-OAHLLOKOSA-N 1 3 336.524 2.435 10 0 EEAEHO C[N@@H+]1CC[C@@]2(CCN(C[C@H]3CN(Cc4ccccc4)CCCO3)C2)C1 ZINC000292262722 464178818 /nfs/dbraw/zinc/17/88/18/464178818.db2.gz YSNXJHVPFITQJR-NHCUHLMSSA-N 1 3 343.515 2.305 10 0 EEAEHO C[N@H+]1CC[C@@]2(CCN(C[C@H]3CN(Cc4ccccc4)CCCO3)C2)C1 ZINC000292262722 464178823 /nfs/dbraw/zinc/17/88/23/464178823.db2.gz YSNXJHVPFITQJR-NHCUHLMSSA-N 1 3 343.515 2.305 10 0 EEAEHO CC(C)N1CCC([NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000189038800 464420791 /nfs/dbraw/zinc/42/07/91/464420791.db2.gz YAGWMCFCRFDBAS-SFHVURJKSA-N 1 3 333.451 2.389 10 0 EEAEHO Cc1cc([C@H](C)NCC2([NH+]3CCCCC3)CCN(C)CC2)nn1C ZINC000337452009 465376524 /nfs/dbraw/zinc/37/65/24/465376524.db2.gz IDMUZZJWIMDLIK-KRWDZBQOSA-N 1 3 333.524 2.329 10 0 EEAEHO Cc1cc([C@H](C)NCC2(N3CCCCC3)CC[NH+](C)CC2)nn1C ZINC000337452009 465376528 /nfs/dbraw/zinc/37/65/28/465376528.db2.gz IDMUZZJWIMDLIK-KRWDZBQOSA-N 1 3 333.524 2.329 10 0 EEAEHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000349061306 465944904 /nfs/dbraw/zinc/94/49/04/465944904.db2.gz INPJEAWFROPCTB-UHFFFAOYSA-N 1 3 331.464 2.128 10 0 EEAEHO CN(C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000340302731 465969823 /nfs/dbraw/zinc/96/98/23/465969823.db2.gz KCWAKJDYHCPKMJ-FHWLQOOXSA-N 1 3 342.487 2.310 10 0 EEAEHO CN(C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340302731 465969833 /nfs/dbraw/zinc/96/98/33/465969833.db2.gz KCWAKJDYHCPKMJ-FHWLQOOXSA-N 1 3 342.487 2.310 10 0 EEAEHO CN(C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000340302731 465969843 /nfs/dbraw/zinc/96/98/43/465969843.db2.gz KCWAKJDYHCPKMJ-FHWLQOOXSA-N 1 3 342.487 2.310 10 0 EEAEHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000357348135 465970634 /nfs/dbraw/zinc/97/06/34/465970634.db2.gz MKOHBYOYHWKYTO-SJORKVTESA-N 1 3 339.524 2.257 10 0 EEAEHO CCNC(=O)COc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367626290 466457864 /nfs/dbraw/zinc/45/78/64/466457864.db2.gz NUXJFSLCHFYUQH-IPMKNSEASA-N 1 3 345.487 2.164 10 0 EEAEHO CCNC(=O)COc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367626290 466457871 /nfs/dbraw/zinc/45/78/71/466457871.db2.gz NUXJFSLCHFYUQH-IPMKNSEASA-N 1 3 345.487 2.164 10 0 EEAEHO CCNC(=O)COc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c1 ZINC000367626290 466457879 /nfs/dbraw/zinc/45/78/79/466457879.db2.gz NUXJFSLCHFYUQH-IPMKNSEASA-N 1 3 345.487 2.164 10 0 EEAEHO CCN(CC)[C@@H](CNC(=O)COC1CCC([NH3+])CC1)c1ccccc1 ZINC000645183632 471168084 /nfs/dbraw/zinc/16/80/84/471168084.db2.gz KQVCONAVRVKWBI-ACBHZAAOSA-N 1 3 347.503 2.472 10 0 EEAEHO C[C@H](CNC(=O)N(CC[NH3+])CCc1ccccc1)N1CCC[C@@H](C)C1 ZINC000417027394 466758437 /nfs/dbraw/zinc/75/84/37/466758437.db2.gz ZSHZMUNLLQDJHF-QZTJIDSGSA-N 1 3 346.519 2.320 10 0 EEAEHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](N)c1ccccc1 ZINC000417253558 466816224 /nfs/dbraw/zinc/81/62/24/466816224.db2.gz LRVZZCPFZOKRLH-DFGXFYAUSA-N 1 3 332.492 2.352 10 0 EEAEHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](N)c1ccccc1 ZINC000417253558 466816228 /nfs/dbraw/zinc/81/62/28/466816228.db2.gz LRVZZCPFZOKRLH-DFGXFYAUSA-N 1 3 332.492 2.352 10 0 EEAEHO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCN2CCC1CC2 ZINC000373724495 466900919 /nfs/dbraw/zinc/90/09/19/466900919.db2.gz CORBJWOYECLTDS-KRWDZBQOSA-N 1 3 345.462 2.344 10 0 EEAEHO O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCN2CCC1CC2 ZINC000373724495 466900921 /nfs/dbraw/zinc/90/09/21/466900921.db2.gz CORBJWOYECLTDS-KRWDZBQOSA-N 1 3 345.462 2.344 10 0 EEAEHO C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)C1 ZINC000417739575 466921874 /nfs/dbraw/zinc/92/18/74/466921874.db2.gz QEEVXICSYFHBQO-LZWOXQAQSA-N 1 3 336.505 2.134 10 0 EEAEHO CN(C(=O)NC[C@@]1(C)CCC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418517756 467123262 /nfs/dbraw/zinc/12/32/62/467123262.db2.gz LKZDWOCNGAWSBZ-ICSRJNTNSA-N 1 3 344.503 2.292 10 0 EEAEHO CCN1CCN(CCCC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433307319 467316708 /nfs/dbraw/zinc/31/67/08/467316708.db2.gz VDCXUVXUICUTKG-UHFFFAOYSA-N 1 3 331.464 2.177 10 0 EEAEHO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000383343443 467380833 /nfs/dbraw/zinc/38/08/33/467380833.db2.gz LOEPUUHUEKRCCL-GBESFXJTSA-N 1 3 329.488 2.390 10 0 EEAEHO CN(C[C@@H](O)C[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)C1CC1 ZINC000397898074 467444413 /nfs/dbraw/zinc/44/44/13/467444413.db2.gz QYWFSJGZMQVPPB-VQTJNVASSA-N 1 3 331.504 2.086 10 0 EEAEHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414930026 467453160 /nfs/dbraw/zinc/45/31/60/467453160.db2.gz ALFKLMGUXZPQFB-KCQAQPDRSA-N 1 3 335.448 2.009 10 0 EEAEHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)c1 ZINC000414930026 467453162 /nfs/dbraw/zinc/45/31/62/467453162.db2.gz ALFKLMGUXZPQFB-KCQAQPDRSA-N 1 3 335.448 2.009 10 0 EEAEHO Cc1n[nH]c(CC[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)n1 ZINC000449232830 467624846 /nfs/dbraw/zinc/62/48/46/467624846.db2.gz WIBGBFJGUXONLK-HNNXBMFYSA-N 1 3 327.476 2.341 10 0 EEAEHO CN(Cc1ccccc1)C[C@@H](O)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594205337 468512009 /nfs/dbraw/zinc/51/20/09/468512009.db2.gz RJUKUPNPSWJIBC-WOJBJXKFSA-N 1 3 331.504 2.040 10 0 EEAEHO Cc1cc(N2CCC[C@@H](NC3CC[NH+](CC4CC4)CC3)C2)n(C)n1 ZINC000570009762 468576672 /nfs/dbraw/zinc/57/66/72/468576672.db2.gz YXTDELJNKIZWDL-GOSISDBHSA-N 1 3 331.508 2.161 10 0 EEAEHO O[C@@H](C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1)CC1CCCC1 ZINC000571910747 468856783 /nfs/dbraw/zinc/85/67/83/468856783.db2.gz WPIUUOHZSQRZDV-VQTJNVASSA-N 1 3 332.488 2.284 10 0 EEAEHO CN(C)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000572346646 468919256 /nfs/dbraw/zinc/91/92/56/468919256.db2.gz HQHVFSMMDNQLMZ-IEBWSBKVSA-N 1 3 330.476 2.074 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000585120776 468982005 /nfs/dbraw/zinc/98/20/05/468982005.db2.gz KPVGPJYLENSGMF-PKOBYXMFSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000585120776 468982008 /nfs/dbraw/zinc/98/20/08/468982008.db2.gz KPVGPJYLENSGMF-PKOBYXMFSA-N 1 3 329.488 2.451 10 0 EEAEHO O[C@H](CNCc1ccccc1C[NH+]1CCCCC1)Cn1cccn1 ZINC000572834359 469004568 /nfs/dbraw/zinc/00/45/68/469004568.db2.gz GFFORLZVLRVGPI-LJQANCHMSA-N 1 3 328.460 2.020 10 0 EEAEHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCCN(C)C1)c1ccccc1 ZINC000618547112 469385291 /nfs/dbraw/zinc/38/52/91/469385291.db2.gz BWANEHBBXGFELK-ZWKOTPCHSA-N 1 3 332.492 2.463 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616994239 469561821 /nfs/dbraw/zinc/56/18/21/469561821.db2.gz WXFLWPUYULMVQB-MRXNPFEDSA-N 1 3 347.503 2.477 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000616994239 469561827 /nfs/dbraw/zinc/56/18/27/469561827.db2.gz WXFLWPUYULMVQB-MRXNPFEDSA-N 1 3 347.503 2.477 10 0 EEAEHO CN(Cc1ccccc1)C[C@H](O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606540275 469618455 /nfs/dbraw/zinc/61/84/55/469618455.db2.gz FHKHYSKGDIDODY-RTWAWAEBSA-N 1 3 345.531 2.430 10 0 EEAEHO CCc1cc(N2CCC[C@H](N[C@H]3CC[N@H+](C)C(C)(C)C3)C2)ncn1 ZINC000623416585 469650001 /nfs/dbraw/zinc/65/00/01/469650001.db2.gz ACKJHWLFYXRTCP-IRXDYDNUSA-N 1 3 331.508 2.470 10 0 EEAEHO CCc1cc(N2CCC[C@H](N[C@H]3CC[N@@H+](C)C(C)(C)C3)C2)ncn1 ZINC000623416585 469650005 /nfs/dbraw/zinc/65/00/05/469650005.db2.gz ACKJHWLFYXRTCP-IRXDYDNUSA-N 1 3 331.508 2.470 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617351852 469655719 /nfs/dbraw/zinc/65/57/19/469655719.db2.gz QOHQRIKTAYPSMH-OAHLLOKOSA-N 1 3 333.476 2.230 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617351852 469655722 /nfs/dbraw/zinc/65/57/22/469655722.db2.gz QOHQRIKTAYPSMH-OAHLLOKOSA-N 1 3 333.476 2.230 10 0 EEAEHO CCSc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cn1 ZINC000617505595 469702859 /nfs/dbraw/zinc/70/28/59/469702859.db2.gz JKATYFFPIJBEHP-AWEZNQCLSA-N 1 3 338.521 2.195 10 0 EEAEHO CCSc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cn1 ZINC000617505595 469702864 /nfs/dbraw/zinc/70/28/64/469702864.db2.gz JKATYFFPIJBEHP-AWEZNQCLSA-N 1 3 338.521 2.195 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccncc1C(F)(F)F ZINC000617507287 469705361 /nfs/dbraw/zinc/70/53/61/469705361.db2.gz QGQZYBSZZXFNOO-LBPRGKRZSA-N 1 3 346.397 2.102 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccncc1C(F)(F)F ZINC000617507287 469705364 /nfs/dbraw/zinc/70/53/64/469705364.db2.gz QGQZYBSZZXFNOO-LBPRGKRZSA-N 1 3 346.397 2.102 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(c2cccnc2)CCCC1 ZINC000617507592 469705808 /nfs/dbraw/zinc/70/58/08/469705808.db2.gz BLDBDVSIUCJTQX-KRWDZBQOSA-N 1 3 346.519 2.282 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(c2cccnc2)CCCC1 ZINC000617507592 469705809 /nfs/dbraw/zinc/70/58/09/469705809.db2.gz BLDBDVSIUCJTQX-KRWDZBQOSA-N 1 3 346.519 2.282 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCN1c1ccccc1 ZINC000617507082 469706881 /nfs/dbraw/zinc/70/68/81/469706881.db2.gz HMQFJADXEDOWKY-PKOBYXMFSA-N 1 3 346.519 2.044 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCN1c1ccccc1 ZINC000617507082 469706887 /nfs/dbraw/zinc/70/68/87/469706887.db2.gz HMQFJADXEDOWKY-PKOBYXMFSA-N 1 3 346.519 2.044 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000626921829 469754604 /nfs/dbraw/zinc/75/46/04/469754604.db2.gz JRVRNPIGXQFBLB-ZNMIVQPWSA-N 1 3 336.505 2.325 10 0 EEAEHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)c1cccc(OC)c1 ZINC000626927115 469757117 /nfs/dbraw/zinc/75/71/17/469757117.db2.gz TWPKURYTRUVWJZ-QGTPRVQTSA-N 1 3 348.491 2.128 10 0 EEAEHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@H]1CCCCO1 ZINC000623916328 469795828 /nfs/dbraw/zinc/79/58/28/469795828.db2.gz LZVBJKDIZICVBR-MAUKXSAKSA-N 1 3 333.476 2.025 10 0 EEAEHO C[C@@H](NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@@H](c1ccccc1)N(C)C ZINC000627033893 469797502 /nfs/dbraw/zinc/79/75/02/469797502.db2.gz XLVIVXYHIOCMAH-VUBSUSDNSA-N 1 3 344.503 2.319 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C[NH2+]1 ZINC000627199681 469841508 /nfs/dbraw/zinc/84/15/08/469841508.db2.gz AXWASLUJORUYOU-ZIFCJYIRSA-N 1 3 344.503 2.433 10 0 EEAEHO CN(C)[C@@H](CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000620976680 469966002 /nfs/dbraw/zinc/96/60/02/469966002.db2.gz KQPJEVFCFJSQPM-MOPGFXCFSA-N 1 3 347.503 2.249 10 0 EEAEHO C[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(F)(F)F ZINC000624936754 470047732 /nfs/dbraw/zinc/04/77/32/470047732.db2.gz SUZPNDQJQDYWQF-LBPRGKRZSA-N 1 3 335.414 2.250 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC000645785800 470416596 /nfs/dbraw/zinc/41/65/96/470416596.db2.gz VOYZHOJMZFQZIH-GOSISDBHSA-N 1 3 338.540 2.480 10 0 EEAEHO C[C@]1(F)CNCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000647544660 470927907 /nfs/dbraw/zinc/92/79/07/470927907.db2.gz OBXBTAVYCABSBG-IBGZPJMESA-N 1 3 335.467 2.295 10 0 EEAEHO CN1CCN(Cc2ccccc2)[C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000657801384 471235828 /nfs/dbraw/zinc/23/58/28/471235828.db2.gz QJBPIVQMDYFMGB-PWRODBHTSA-N 1 3 342.531 2.019 10 0 EEAEHO CN1CCN(Cc2ccccc2)[C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000657801384 471235830 /nfs/dbraw/zinc/23/58/30/471235830.db2.gz QJBPIVQMDYFMGB-PWRODBHTSA-N 1 3 342.531 2.019 10 0 EEAEHO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000653166141 471515953 /nfs/dbraw/zinc/51/59/53/471515953.db2.gz ZBKRHZADSVVBQN-ZGXWSNOMSA-N 1 3 339.483 2.250 10 0 EEAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F)N(C)C ZINC000655927860 471544386 /nfs/dbraw/zinc/54/43/86/471544386.db2.gz IWDUORXHBLMFLD-UBHSHLNASA-N 1 3 346.397 2.175 10 0 EEAEHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@@H](F)[C@H](N)C1)[NH+](C)C ZINC000659491846 471654068 /nfs/dbraw/zinc/65/40/68/471654068.db2.gz DMLIRQUKLIDSKC-DZUCGIPZSA-N 1 3 336.455 2.067 10 0 EEAEHO CN(C)Cc1cccc(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000664478079 471764029 /nfs/dbraw/zinc/76/40/29/471764029.db2.gz DRHRMFILDBELJV-SFHVURJKSA-N 1 3 348.491 2.323 10 0 EEAEHO Fc1cccc(CN(C[C@H]2CCCO2)C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662254281 472044063 /nfs/dbraw/zinc/04/40/63/472044063.db2.gz OXIPUJUMYIHWQD-QZTJIDSGSA-N 1 3 334.435 2.328 10 0 EEAEHO OCCC[N@H+](C[C@H]1CCC2(CNC2)O1)[C@@H]1CCCc2ccccc21 ZINC000662256853 472044360 /nfs/dbraw/zinc/04/43/60/472044360.db2.gz LPXGCFQVGDHWAW-IEBWSBKVSA-N 1 3 330.472 2.269 10 0 EEAEHO OCCC[N@@H+](C[C@H]1CCC2(CNC2)O1)[C@@H]1CCCc2ccccc21 ZINC000662256853 472044365 /nfs/dbraw/zinc/04/43/65/472044365.db2.gz LPXGCFQVGDHWAW-IEBWSBKVSA-N 1 3 330.472 2.269 10 0 EEAEHO CC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665759076 472173249 /nfs/dbraw/zinc/17/32/49/472173249.db2.gz YOTNQECNBXRQKT-IRXDYDNUSA-N 1 3 326.529 2.480 10 0 EEAEHO CC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665759076 472173253 /nfs/dbraw/zinc/17/32/53/472173253.db2.gz YOTNQECNBXRQKT-IRXDYDNUSA-N 1 3 326.529 2.480 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1Cc2ccccc2C[C@H]1C ZINC000665758189 472173850 /nfs/dbraw/zinc/17/38/50/472173850.db2.gz AMLVEECUWHMOFS-DLBZAZTESA-N 1 3 346.519 2.415 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1Cc2ccccc2C[C@H]1C ZINC000665758189 472173855 /nfs/dbraw/zinc/17/38/55/472173855.db2.gz AMLVEECUWHMOFS-DLBZAZTESA-N 1 3 346.519 2.415 10 0 EEAEHO C[C@H](CNC(=O)c1cc(C(C)(C)N)no1)[N@H+](C)Cc1ccccc1 ZINC000662730303 472226637 /nfs/dbraw/zinc/22/66/37/472226637.db2.gz BUMKQHPADFLHGJ-CYBMUJFWSA-N 1 3 330.432 2.119 10 0 EEAEHO C[C@H](CNC(=O)c1cc(C(C)(C)N)no1)[N@@H+](C)Cc1ccccc1 ZINC000662730303 472226643 /nfs/dbraw/zinc/22/66/43/472226643.db2.gz BUMKQHPADFLHGJ-CYBMUJFWSA-N 1 3 330.432 2.119 10 0 EEAEHO C[NH+](C)CC1(C(=O)N2CCN(c3ccncc3)CC2)CCCCC1 ZINC000680842672 486063316 /nfs/dbraw/zinc/06/33/16/486063316.db2.gz GSMZZFGAMLLHOE-UHFFFAOYSA-N 1 3 330.476 2.242 10 0 EEAEHO CCN(C(=O)N[C@H]1CCCN(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000681211797 486173286 /nfs/dbraw/zinc/17/32/86/486173286.db2.gz ZONBITLQEGVYGY-OALUTQOASA-N 1 3 344.503 2.387 10 0 EEAEHO CCN(C(=O)N[C@H]1CCCN(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681211797 486173292 /nfs/dbraw/zinc/17/32/92/486173292.db2.gz ZONBITLQEGVYGY-OALUTQOASA-N 1 3 344.503 2.387 10 0 EEAEHO CC(=O)c1ccccc1OCCN(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171631333 527402071 /nfs/dbraw/zinc/40/20/71/527402071.db2.gz CHMMUCTVHDKNQJ-MRXNPFEDSA-N 1 3 348.487 2.293 10 0 EEAEHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCCN1CCOC ZINC000415951719 528355540 /nfs/dbraw/zinc/35/55/40/528355540.db2.gz IWIIFODEEWBGED-INIZCTEOSA-N 1 3 334.464 2.028 10 0 EEAEHO OC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@@H]1CCCOC1 ZINC000894994765 683455427 /nfs/dbraw/zinc/45/54/27/683455427.db2.gz VAAYEMAGOXFZIN-ZPAWYTMASA-N 1 3 344.499 2.417 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCN1C ZINC000925324592 692205474 /nfs/dbraw/zinc/20/54/74/692205474.db2.gz VRECROVXZIXYOD-KZNAEPCWSA-N 1 3 336.524 2.377 10 0 EEAEHO Cc1oncc1CNCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485732337 1191922239 /nfs/dbraw/zinc/92/22/39/1191922239.db2.gz FYOWEZGVGSLUJG-CQSZACIVSA-N 1 3 336.480 2.232 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCOc2cc(C)cc(C)c2)C1)N(C)C ZINC001266632721 1177029548 /nfs/dbraw/zinc/02/95/48/1177029548.db2.gz OOVOUVOYSKIRCK-LNLFQRSKSA-N 1 3 347.503 2.259 10 0 EEAEHO CCOCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C(C)C ZINC001266868393 1177635463 /nfs/dbraw/zinc/63/54/63/1177635463.db2.gz WCNWXXAWIUTIDE-MSOLQXFVSA-N 1 3 339.524 2.257 10 0 EEAEHO CN(CCNC/C=C\Cl)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001691319753 1177905064 /nfs/dbraw/zinc/90/50/64/1177905064.db2.gz UFTZMOZQJZHKQE-HMZQOCAUSA-N 1 3 327.900 2.442 10 0 EEAEHO CN(CCNC/C=C\Cl)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001691319753 1177905071 /nfs/dbraw/zinc/90/50/71/1177905071.db2.gz UFTZMOZQJZHKQE-HMZQOCAUSA-N 1 3 327.900 2.442 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(COC)cc1 ZINC001267473182 1179103531 /nfs/dbraw/zinc/10/35/31/1179103531.db2.gz CGAVVHUYOZPPFF-IBGZPJMESA-N 1 3 347.503 2.255 10 0 EEAEHO COCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001268175409 1181954139 /nfs/dbraw/zinc/95/41/39/1181954139.db2.gz DUFSRWIJGGYJBK-DLBZAZTESA-N 1 3 341.540 2.218 10 0 EEAEHO COC[C@H](C)N1CC[C@@H](N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001481732380 1182412688 /nfs/dbraw/zinc/41/26/88/1182412688.db2.gz MYSIKOHEGLBKND-DOTOQJQBSA-N 1 3 339.524 2.207 10 0 EEAEHO COC[C@H](C)N1CC[C@@H](N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001481732380 1182412694 /nfs/dbraw/zinc/41/26/94/1182412694.db2.gz MYSIKOHEGLBKND-DOTOQJQBSA-N 1 3 339.524 2.207 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1scnc1C ZINC001268425711 1182593643 /nfs/dbraw/zinc/59/36/43/1182593643.db2.gz HADOLAGNNLQQRB-ZFWWWQNUSA-N 1 3 338.521 2.310 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]CC1CCOCC1 ZINC001481855558 1182815953 /nfs/dbraw/zinc/81/59/53/1182815953.db2.gz MHNMDFGJLBDVIU-AEFFLSMTSA-N 1 3 339.524 2.162 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@](C)(C[NH2+]CCc1ccccc1)C1CC1 ZINC001481948327 1183015876 /nfs/dbraw/zinc/01/58/76/1183015876.db2.gz PYAWJOGWTMPCLG-HXUWFJFHSA-N 1 3 340.471 2.378 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001268520352 1183168972 /nfs/dbraw/zinc/16/89/72/1183168972.db2.gz CCXUJLPNAZIHPX-UUSRSUCLSA-N 1 3 341.499 2.148 10 0 EEAEHO Cc1oncc1CN1CCC(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001482049564 1183234568 /nfs/dbraw/zinc/23/45/68/1183234568.db2.gz FUJKNGMFSYUILC-KRWDZBQOSA-N 1 3 348.491 2.043 10 0 EEAEHO Cc1oncc1CN1CCC(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001482049564 1183234572 /nfs/dbraw/zinc/23/45/72/1183234572.db2.gz FUJKNGMFSYUILC-KRWDZBQOSA-N 1 3 348.491 2.043 10 0 EEAEHO CC(C)n1ccc(CNC[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001482134235 1183383416 /nfs/dbraw/zinc/38/34/16/1183383416.db2.gz AFYHNSGPJMRLEG-ULQDDVLXSA-N 1 3 349.523 2.036 10 0 EEAEHO CC(C)n1ccc(CNC[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC001482134235 1183383424 /nfs/dbraw/zinc/38/34/24/1183383424.db2.gz AFYHNSGPJMRLEG-ULQDDVLXSA-N 1 3 349.523 2.036 10 0 EEAEHO C[C@@H](C[NH2+]CCc1ccccc1F)NC(=O)C(C)(C)N1CCCC1 ZINC001268698332 1183622948 /nfs/dbraw/zinc/62/29/48/1183622948.db2.gz PTKKGMKMCIOJIR-HNNXBMFYSA-N 1 3 335.467 2.337 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001268846957 1183763339 /nfs/dbraw/zinc/76/33/39/1183763339.db2.gz BEQHFRNOFNYROX-CQSZACIVSA-N 1 3 339.430 2.245 10 0 EEAEHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001269424249 1184256352 /nfs/dbraw/zinc/25/63/52/1184256352.db2.gz DFBBPFZRCFRIMN-UONOGXRCSA-N 1 3 326.872 2.060 10 0 EEAEHO CC[C@H](C(=O)N1CCC(CC[NH2+]CC[C@@H]2CCCO2)CC1)N(C)C ZINC001269877479 1184688007 /nfs/dbraw/zinc/68/80/07/1184688007.db2.gz MOINWVBOAGQJMH-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CC[C@@H]2CCCCN2C(=O)CN2CCCC2)o1 ZINC001482462912 1185933910 /nfs/dbraw/zinc/93/39/10/1185933910.db2.gz WJLIFTNTEZAUSV-KRWDZBQOSA-N 1 3 348.491 2.248 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1ccns1)NC(=O)C(C)(C)N1CCCCC1 ZINC001272781718 1193496116 /nfs/dbraw/zinc/49/61/16/1193496116.db2.gz IIHYLHUINZZPBF-AWEZNQCLSA-N 1 3 338.521 2.392 10 0 EEAEHO CC[C@@H](C(=O)NC/C=C\C[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001483060553 1188354821 /nfs/dbraw/zinc/35/48/21/1188354821.db2.gz MIGPJXWNEPCNAQ-WIJVFFIESA-N 1 3 333.451 2.415 10 0 EEAEHO CCCN(C)CC(=O)NC/C=C/C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001483086009 1188449620 /nfs/dbraw/zinc/44/96/20/1188449620.db2.gz HBUQJAAAAGWOPY-SHCNBLLESA-N 1 3 333.451 2.417 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C1CCC([NH2+]Cc2ccns2)CC1 ZINC001409449549 1189697581 /nfs/dbraw/zinc/69/75/81/1189697581.db2.gz LSDCKSUMLBSWHP-UHFFFAOYSA-N 1 3 338.521 2.343 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)NCc2cncc(C)c2)C1 ZINC001485914344 1193638481 /nfs/dbraw/zinc/63/84/81/1193638481.db2.gz YHRCTBAZWGAGPD-MJGOQNOKSA-N 1 3 346.519 2.449 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)NCc2cncc(C)c2)C1 ZINC001485914344 1193638482 /nfs/dbraw/zinc/63/84/82/1193638482.db2.gz YHRCTBAZWGAGPD-MJGOQNOKSA-N 1 3 346.519 2.449 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001483504895 1190518590 /nfs/dbraw/zinc/51/85/90/1190518590.db2.gz IVHRDSOPRDNBKO-CABCVRRESA-N 1 3 333.467 2.446 10 0 EEAEHO Cc1cccc(CCC[NH2+][C@H]2C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001486124507 1193688779 /nfs/dbraw/zinc/68/87/79/1193688779.db2.gz QNYRITSSXBVDLE-LPHOPBHVSA-N 1 3 340.471 2.472 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(Cl)nc2)C[C@H]1C ZINC001486138543 1193692473 /nfs/dbraw/zinc/69/24/73/1193692473.db2.gz YGGWUDPRRHMLQI-HIFRSBDPSA-N 1 3 338.883 2.154 10 0 EEAEHO Cc1noc(C)c1C[NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001272456336 1190831116 /nfs/dbraw/zinc/83/11/16/1190831116.db2.gz FFXJIRYNMARGQE-INIZCTEOSA-N 1 3 348.491 2.104 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001272477361 1190842392 /nfs/dbraw/zinc/84/23/92/1190842392.db2.gz WPRPKRSEPZWQEE-QWHCGFSZSA-N 1 3 336.307 2.474 10 0 EEAEHO CC[C@@H](F)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)C2 ZINC001484388624 1191328518 /nfs/dbraw/zinc/32/85/18/1191328518.db2.gz FJVLPVIWRIGYIR-NQNKBUKLSA-N 1 3 327.488 2.434 10 0 EEAEHO CC[C@@H](F)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)C2 ZINC001484388624 1191328520 /nfs/dbraw/zinc/32/85/20/1191328520.db2.gz FJVLPVIWRIGYIR-NQNKBUKLSA-N 1 3 327.488 2.434 10 0 EEAEHO CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001484716534 1191480805 /nfs/dbraw/zinc/48/08/05/1191480805.db2.gz LXYVRKHMRSLUFN-KRWDZBQOSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)OCCC[N@H+]1CCC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001484716534 1191480807 /nfs/dbraw/zinc/48/08/07/1191480807.db2.gz LXYVRKHMRSLUFN-KRWDZBQOSA-N 1 3 339.524 2.257 10 0 EEAEHO CCOCCC[NH2+]C1(CC)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001484810612 1191532602 /nfs/dbraw/zinc/53/26/02/1191532602.db2.gz DJUHFVMHFYLJNU-UHFFFAOYSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]CCC1CCOCC1 ZINC001485179777 1191679042 /nfs/dbraw/zinc/67/90/42/1191679042.db2.gz JKEXFUHYVFGIJS-JKSUJKDBSA-N 1 3 339.524 2.160 10 0 EEAEHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C/C=C/c1ccccc1 ZINC001485373133 1191770329 /nfs/dbraw/zinc/77/03/29/1191770329.db2.gz KTYCZNADEVXWAT-FFRPFHMCSA-N 1 3 329.488 2.478 10 0 EEAEHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C/C=C/c1ccccc1 ZINC001485373133 1191770330 /nfs/dbraw/zinc/77/03/30/1191770330.db2.gz KTYCZNADEVXWAT-FFRPFHMCSA-N 1 3 329.488 2.478 10 0 EEAEHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(F)ccc1F)N(C)C ZINC001273122950 1194405195 /nfs/dbraw/zinc/40/51/95/1194405195.db2.gz KJDKTKXDAYQYLI-WBMJQRKESA-N 1 3 327.419 2.289 10 0 EEAEHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)cc1F ZINC001410234990 1197623639 /nfs/dbraw/zinc/62/36/39/1197623639.db2.gz XGSXCKFWQIIQIW-QAQDUYKDSA-N 1 3 335.467 2.459 10 0 EEAEHO COC(=O)c1cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1C ZINC000872144288 1198054630 /nfs/dbraw/zinc/05/46/30/1198054630.db2.gz FPPSXICKMOBJAL-RTBURBONSA-N 1 3 346.471 2.500 10 0 EEAEHO CN(CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cncs2)C1)C1CCC1 ZINC001410949416 1198614960 /nfs/dbraw/zinc/61/49/60/1198614960.db2.gz IKPBANUJWHWVGX-KGLIPLIRSA-N 1 3 336.505 2.002 10 0 EEAEHO Cc1ncccc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001410949335 1198616585 /nfs/dbraw/zinc/61/65/85/1198616585.db2.gz FSVPGAAPABIHLF-SJLPKXTDSA-N 1 3 332.492 2.105 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868479233 1201819404 /nfs/dbraw/zinc/81/94/04/1201819404.db2.gz TYBBKFFGNXPGSR-BHIYHBOVSA-N 1 3 344.503 2.243 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868479233 1201819406 /nfs/dbraw/zinc/81/94/06/1201819406.db2.gz TYBBKFFGNXPGSR-BHIYHBOVSA-N 1 3 344.503 2.243 10 0 EEAEHO CC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886639828 1202538670 /nfs/dbraw/zinc/53/86/70/1202538670.db2.gz MMTSSSDLPKZXCY-YRPNKDGESA-N 1 3 327.472 2.250 10 0 EEAEHO CC(=O)N1CC[C@@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000886639828 1202538671 /nfs/dbraw/zinc/53/86/71/1202538671.db2.gz MMTSSSDLPKZXCY-YRPNKDGESA-N 1 3 327.472 2.250 10 0 EEAEHO CC(=O)N1CC[C@@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000886639828 1202538672 /nfs/dbraw/zinc/53/86/72/1202538672.db2.gz MMTSSSDLPKZXCY-YRPNKDGESA-N 1 3 327.472 2.250 10 0 EEAEHO CN(C)C1(C(=O)NC/C=C\C[NH2+]Cc2ccc3cc[nH]c3c2)CCC1 ZINC001274090311 1204367008 /nfs/dbraw/zinc/36/70/08/1204367008.db2.gz ZAKGWYPEPFZDSG-ARJAWSKDSA-N 1 3 340.471 2.414 10 0 EEAEHO Cc1nsc(C)c1C[NH2+]CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001276226449 1205843578 /nfs/dbraw/zinc/84/35/78/1205843578.db2.gz GLWGQOACBIQAHR-ZDUSSCGKSA-N 1 3 338.521 2.040 10 0 EEAEHO C[NH+]1CCC(N2CC[C@@H](N[C@@H]3CCc4c3nccc4Cl)C2)CC1 ZINC000925041385 1206064451 /nfs/dbraw/zinc/06/44/51/1206064451.db2.gz NZDHDJDETDURTK-CXAGYDPISA-N 1 3 334.895 2.480 10 0 EEAEHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(N2CCNC2=O)cc1 ZINC000925775181 1206152997 /nfs/dbraw/zinc/15/29/97/1206152997.db2.gz DQAPAYRISRNSGR-JSGCOSHPSA-N 1 3 338.402 2.112 10 0 EEAEHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000926543114 1206226740 /nfs/dbraw/zinc/22/67/40/1206226740.db2.gz PZDOZUGLWPFWOG-GBGWRMMESA-N 1 3 332.492 2.310 10 0 EEAEHO CCN1C[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)OC1=O ZINC000690619527 1206554035 /nfs/dbraw/zinc/55/40/35/1206554035.db2.gz BVLPAYMOEOSIEH-RYQLBKOJSA-N 1 3 331.460 2.327 10 0 EEAEHO CCN1C[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)OC1=O ZINC000690619527 1206554036 /nfs/dbraw/zinc/55/40/36/1206554036.db2.gz BVLPAYMOEOSIEH-RYQLBKOJSA-N 1 3 331.460 2.327 10 0 EEAEHO C[N@@H+]1C[C@@H]2CN(CCC(=O)N[C@@H]3CCCc4ccccc43)C[C@]2(C)C1 ZINC000933742260 1207831469 /nfs/dbraw/zinc/83/14/69/1207831469.db2.gz GCWYRKWQAUUONC-QFUCXCTJSA-N 1 3 341.499 2.454 10 0 EEAEHO C[N@H+]1C[C@@H]2CN(CCC(=O)N[C@@H]3CCCc4ccccc43)C[C@]2(C)C1 ZINC000933742260 1207831473 /nfs/dbraw/zinc/83/14/73/1207831473.db2.gz GCWYRKWQAUUONC-QFUCXCTJSA-N 1 3 341.499 2.454 10 0 EEAEHO CC(C)C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C1CCOCC1 ZINC000902981919 1239261209 /nfs/dbraw/zinc/26/12/09/1239261209.db2.gz SHDZXQKIYBUKGI-GOSISDBHSA-N 1 3 325.541 2.443 10 0 EEAEHO c1ccc(CN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]2CCCO2)cc1 ZINC000903722162 1241719514 /nfs/dbraw/zinc/71/95/14/1241719514.db2.gz IATADEXWXBIJJD-XUVXKRRUSA-N 1 3 330.472 2.436 10 0 EEAEHO COc1ccc2c(c1)CCCN(C[C@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903891351 1242353388 /nfs/dbraw/zinc/35/33/88/1242353388.db2.gz LZBSMMLWGTWQDD-INIZCTEOSA-N 1 3 342.487 2.303 10 0 EEAEHO COc1cccc2c1CC[C@@H]2NC[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903921889 1242511497 /nfs/dbraw/zinc/51/14/97/1242511497.db2.gz SDLCOOXMQNRDGJ-KSSFIOAISA-N 1 3 328.460 2.132 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN2CCC3(CCSCC3)CC2)cnn1C ZINC000903934425 1242564996 /nfs/dbraw/zinc/56/49/96/1242564996.db2.gz GVPQICQSGJRQQD-MRXNPFEDSA-N 1 3 336.549 2.455 10 0 EEAEHO CC(C)OCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001273841356 1286675010 /nfs/dbraw/zinc/67/50/10/1286675010.db2.gz SKHMZTUDVTZKFL-IBGZPJMESA-N 1 3 348.491 2.082 10 0 EEAEHO CC(C)OCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001273841356 1286675025 /nfs/dbraw/zinc/67/50/25/1286675025.db2.gz SKHMZTUDVTZKFL-IBGZPJMESA-N 1 3 348.491 2.082 10 0 EEAEHO CC(C)Oc1cccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCN2C)c1 ZINC001273910340 1289776304 /nfs/dbraw/zinc/77/63/04/1289776304.db2.gz PGIWGBKEZGMVLL-HMECNJMJSA-N 1 3 345.487 2.330 10 0 EEAEHO CC(C)[C@H](C(=O)NC[C@H](NCc1ccccn1)C1CC1)[NH+]1CCCC1 ZINC001490740753 1291653598 /nfs/dbraw/zinc/65/35/98/1291653598.db2.gz FWQINURWTFONHE-RBUKOAKNSA-N 1 3 344.503 2.186 10 0 EEAEHO O=C(OCc1ccccc1)N1CCC(C[NH2+]CC23CC(C2)CN3)CC1 ZINC000853246017 1292339220 /nfs/dbraw/zinc/33/92/20/1292339220.db2.gz GVWQTORYZCLPDT-UHFFFAOYSA-N 1 3 343.471 2.377 10 0 EEAEHO COc1cccc(/C(C)=C/C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000855346257 1293184288 /nfs/dbraw/zinc/18/42/88/1293184288.db2.gz UJICXPPGDUMEII-MAUBAPBLSA-N 1 3 347.503 2.487 10 0 EEAEHO COc1cccc(/C(C)=C/C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000855346257 1293184296 /nfs/dbraw/zinc/18/42/96/1293184296.db2.gz UJICXPPGDUMEII-MAUBAPBLSA-N 1 3 347.503 2.487 10 0 EEAEHO CCN(C)Cc1cc(O[C@@H]2CCN(C[C@H]3CCC[N@@H+]3C)C2)ccn1 ZINC000856583841 1293571620 /nfs/dbraw/zinc/57/16/20/1293571620.db2.gz AQUPHZNXASXWFG-IEBWSBKVSA-N 1 3 332.492 2.081 10 0 EEAEHO CCN(C)Cc1cc(O[C@@H]2CCN(C[C@H]3CCC[N@H+]3C)C2)ccn1 ZINC000856583841 1293571627 /nfs/dbraw/zinc/57/16/27/1293571627.db2.gz AQUPHZNXASXWFG-IEBWSBKVSA-N 1 3 332.492 2.081 10 0 EEAEHO CCCc1cccc(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863643557 1296360575 /nfs/dbraw/zinc/36/05/75/1296360575.db2.gz OELGVKUGFGSZNN-MOPGFXCFSA-N 1 3 343.471 2.396 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3CCC(F)(F)C3)CC2)CC1 ZINC000797846687 1304858545 /nfs/dbraw/zinc/85/85/45/1304858545.db2.gz KZONUUVAXFNVLY-AWEZNQCLSA-N 1 3 343.462 2.487 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NCc2ccc(CC[NH3+])cc2)cc(Cl)n1 ZINC000841847030 1315622312 /nfs/dbraw/zinc/62/23/12/1315622312.db2.gz GNHMLGFKICERPQ-MRXNPFEDSA-N 1 3 346.862 2.251 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc(Cl)n1 ZINC000843501620 1315924540 /nfs/dbraw/zinc/92/45/40/1315924540.db2.gz LWAZUYCSYRUWLJ-LSDHHAIUSA-N 1 3 344.846 2.350 10 0 EEAEHO COCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001264567089 1322733633 /nfs/dbraw/zinc/73/36/33/1322733633.db2.gz SPFVSVLDINOXGY-APWZRJJASA-N 1 3 347.503 2.225 10 0 EEAEHO Cc1ccccc1CCC[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001266037155 1323587831 /nfs/dbraw/zinc/58/78/31/1323587831.db2.gz LDVPWTAAUSRSPT-LJQANCHMSA-N 1 3 343.515 2.462 10 0 EEAEHO CN(C)C1(C(=O)NCCC[C@@H]2CCC[N@@H+]2Cc2ccccn2)CCC1 ZINC001266219883 1323790087 /nfs/dbraw/zinc/79/00/87/1323790087.db2.gz KGAFMGMNBCWEJL-GOSISDBHSA-N 1 3 344.503 2.427 10 0 EEAEHO CN(C)C1(C(=O)NCCC[C@@H]2CCC[N@H+]2Cc2ccccn2)CCC1 ZINC001266219883 1323790093 /nfs/dbraw/zinc/79/00/93/1323790093.db2.gz KGAFMGMNBCWEJL-GOSISDBHSA-N 1 3 344.503 2.427 10 0 EEAEHO Cc1ncoc1CNCC[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001280085023 1324079884 /nfs/dbraw/zinc/07/98/84/1324079884.db2.gz XDXMRRYJWFCKHI-IAGOWNOFSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncoc1CNCC[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001280085023 1324079892 /nfs/dbraw/zinc/07/98/92/1324079892.db2.gz XDXMRRYJWFCKHI-IAGOWNOFSA-N 1 3 348.491 2.186 10 0 EEAEHO CC[C@H](C(=O)NC1(CO)CCN(CC=C(C)C)CC1)[NH+](CC)CC ZINC001281817790 1325472664 /nfs/dbraw/zinc/47/26/64/1325472664.db2.gz VKWZBVRCTJMQGD-QGZVFWFLSA-N 1 3 339.524 2.016 10 0 EEAEHO CCOCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001491896137 1330294053 /nfs/dbraw/zinc/29/40/53/1330294053.db2.gz KJIRBPGVWHJFAB-MOPGFXCFSA-N 1 3 347.503 2.415 10 0 EEAEHO Cc1ncccc1CN(C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001316870179 1331941058 /nfs/dbraw/zinc/94/10/58/1331941058.db2.gz NGVUFPBEFXPEDO-HZPDHXFCSA-N 1 3 332.492 2.201 10 0 EEAEHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccnc(Cl)c1 ZINC001317405288 1332216541 /nfs/dbraw/zinc/21/65/41/1332216541.db2.gz GUGMFFATYMFQMQ-KBPBESRZSA-N 1 3 338.883 2.061 10 0 EEAEHO Cc1nc(C(C)C)ccc1CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317661153 1332356327 /nfs/dbraw/zinc/35/63/27/1332356327.db2.gz IZVGBQZCYSHQPA-QGZVFWFLSA-N 1 3 332.492 2.013 10 0 EEAEHO Cc1nc(C(C)C)ccc1CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317661153 1332356331 /nfs/dbraw/zinc/35/63/31/1332356331.db2.gz IZVGBQZCYSHQPA-QGZVFWFLSA-N 1 3 332.492 2.013 10 0 EEAEHO COc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)c1C ZINC001322441429 1333264157 /nfs/dbraw/zinc/26/41/57/1333264157.db2.gz BPMKUFBVAASTFM-KRWDZBQOSA-N 1 3 333.476 2.036 10 0 EEAEHO Cc1csc(CNCCCN(C)C(=O)C23CCC[NH+]2CCC3)n1 ZINC001322593107 1333289906 /nfs/dbraw/zinc/28/99/06/1333289906.db2.gz VZUCHLMGIUDHNB-UHFFFAOYSA-N 1 3 336.505 2.018 10 0 EEAEHO C[C@H]([NH2+]CCCCCF)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001325410535 1333881130 /nfs/dbraw/zinc/88/11/30/1333881130.db2.gz SEVQDIOSRWZKOT-HOTGVXAUSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCCc1ccsc1 ZINC001325562048 1333912072 /nfs/dbraw/zinc/91/20/72/1333912072.db2.gz QTWSKIATWFPDRB-HOCLYGCPSA-N 1 3 346.500 2.331 10 0 EEAEHO CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001327047302 1334210632 /nfs/dbraw/zinc/21/06/32/1334210632.db2.gz DEMRIDVQUQUOGI-ZWKOTPCHSA-N 1 3 337.508 2.034 10 0 EEAEHO CCOCC[NH2+]C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C(C)(C)C ZINC001332861436 1335920731 /nfs/dbraw/zinc/92/07/31/1335920731.db2.gz SCLUJOUDCFAWTN-SJORKVTESA-N 1 3 341.540 2.408 10 0 EEAEHO CCN(CCNCc1cccnc1C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001668614167 1355972916 /nfs/dbraw/zinc/97/29/16/1355972916.db2.gz MLMPAYUGNPNMEE-HKUYNNGSSA-N 1 3 346.519 2.449 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2cccc(N(C)C)c2)C1 ZINC001500276047 1342128280 /nfs/dbraw/zinc/12/82/80/1342128280.db2.gz WYSHRJXROQWFKM-HXUWFJFHSA-N 1 3 346.519 2.175 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2cccc(N(C)C)c2)C1 ZINC001500276047 1342128282 /nfs/dbraw/zinc/12/82/82/1342128282.db2.gz WYSHRJXROQWFKM-HXUWFJFHSA-N 1 3 346.519 2.175 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCOc2ccccc2)CC1 ZINC001502772009 1342232482 /nfs/dbraw/zinc/23/24/82/1342232482.db2.gz FWQIYSJUJMPULB-GOSISDBHSA-N 1 3 345.487 2.130 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNCc2ocnc2C)C1 ZINC001569985231 1342988941 /nfs/dbraw/zinc/98/89/41/1342988941.db2.gz NUYYRCWDWITPET-SJORKVTESA-N 1 3 348.491 2.186 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNCc2ocnc2C)C1 ZINC001569985231 1342988944 /nfs/dbraw/zinc/98/89/44/1342988944.db2.gz NUYYRCWDWITPET-SJORKVTESA-N 1 3 348.491 2.186 10 0 EEAEHO C[NH+](C)CCC(=O)N1CC[C@@H](CCNCc2ccncc2Cl)C1 ZINC001569999692 1342994415 /nfs/dbraw/zinc/99/44/15/1342994415.db2.gz DMWVRAQJWFPAET-CQSZACIVSA-N 1 3 338.883 2.015 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+]Cc2scnc2C)C1 ZINC001570015734 1343000321 /nfs/dbraw/zinc/00/03/21/1343000321.db2.gz OUYGNZXKXZBYOW-HNNXBMFYSA-N 1 3 338.521 2.122 10 0 EEAEHO COC[C@](C)(CO)[NH2+]CCCN1CCC(Cc2ccccc2)CC1 ZINC001648007086 1353413085 /nfs/dbraw/zinc/41/30/85/1353413085.db2.gz YTLSIIRUYRFXDX-FQEVSTJZSA-N 1 3 334.504 2.318 10 0 EEAEHO CC(C)n1ccc(CNCC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)n1 ZINC001668233968 1355905212 /nfs/dbraw/zinc/90/52/12/1355905212.db2.gz ABIFQECBVSFWPJ-MRXNPFEDSA-N 1 3 349.523 2.180 10 0 EEAEHO CN(CCC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)[C@@H]1CCCN1C ZINC001670041872 1356265749 /nfs/dbraw/zinc/26/57/49/1356265749.db2.gz LLEWRRGDNPMMPU-IBGZPJMESA-N 1 3 329.488 2.208 10 0 EEAEHO Cc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1F ZINC001672869572 1356604007 /nfs/dbraw/zinc/60/40/07/1356604007.db2.gz UANXIIJJCXRLLI-HNNXBMFYSA-N 1 3 344.434 2.428 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCOC1CCCCCC1 ZINC001690620956 1404930818 /nfs/dbraw/zinc/93/08/18/1404930818.db2.gz KMGVZNINEJONML-IRXDYDNUSA-N 1 3 339.524 2.162 10 0 EEAEHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2C1)C1CCC1 ZINC001699987312 1405632868 /nfs/dbraw/zinc/63/28/68/1405632868.db2.gz KHQPRXQPRFBMSY-IYBDPMFKSA-N 1 3 325.472 2.001 10 0 EEAEHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCCCCF)C[C@@H]2C1)C1CCC1 ZINC001699987312 1405632881 /nfs/dbraw/zinc/63/28/81/1405632881.db2.gz KHQPRXQPRFBMSY-IYBDPMFKSA-N 1 3 325.472 2.001 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)[C@H](C)CC[NH+](C)C)cc2)CC1 ZINC001135598212 784049517 /nfs/dbraw/zinc/04/95/17/784049517.db2.gz YZPSZJXWWZGCFW-MRXNPFEDSA-N 1 3 332.492 2.355 10 0 EEAEHO O[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000819015380 785383023 /nfs/dbraw/zinc/38/30/23/785383023.db2.gz GIWJKJUUGMTRBW-FXAWDEMLSA-N 1 3 343.446 2.408 10 0 EEAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H](O)c2cnn(C)c2)CC1 ZINC000823956685 787987290 /nfs/dbraw/zinc/98/72/90/787987290.db2.gz WNSHWDYTZQIRPE-OXJNMPFZSA-N 1 3 342.487 2.139 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2CCC[N@@H+](C(C)C)CC2)cc(Cl)n1 ZINC000844203095 788923724 /nfs/dbraw/zinc/92/37/24/788923724.db2.gz AFLVMYOREXGJRH-OAHLLOKOSA-N 1 3 338.883 2.376 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2CCC[N@H+](C(C)C)CC2)cc(Cl)n1 ZINC000844203095 788923730 /nfs/dbraw/zinc/92/37/30/788923730.db2.gz AFLVMYOREXGJRH-OAHLLOKOSA-N 1 3 338.883 2.376 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713432078 794598113 /nfs/dbraw/zinc/59/81/13/794598113.db2.gz LNPBIMHNGRLOOG-LBKNJMOBSA-N 1 3 327.472 2.237 10 0 EEAEHO Cc1cccnc1C[NH2+]C1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001437094611 1089051277 /nfs/dbraw/zinc/05/12/77/1089051277.db2.gz RXKUJHRXFKEQMN-UHFFFAOYSA-N 1 3 332.492 2.247 10 0 EEAEHO CCc1nocc1C[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001437327867 1089499639 /nfs/dbraw/zinc/49/96/39/1089499639.db2.gz VXDMWZNFFGOUHB-HOTGVXAUSA-N 1 3 336.480 2.094 10 0 EEAEHO CO[C@H](C[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1)C1CCC1 ZINC001437358314 1089588400 /nfs/dbraw/zinc/58/84/00/1089588400.db2.gz OSIWTRCROHAGSN-ZWKOTPCHSA-N 1 3 339.524 2.065 10 0 EEAEHO CO[C@H](C[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1)C1CCC1 ZINC001437358314 1089588409 /nfs/dbraw/zinc/58/84/09/1089588409.db2.gz OSIWTRCROHAGSN-ZWKOTPCHSA-N 1 3 339.524 2.065 10 0 EEAEHO C[C@H](C[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C(=O)CN1CCCC1 ZINC001438724632 1091255738 /nfs/dbraw/zinc/25/57/38/1091255738.db2.gz UJFTWKDLEUCYKF-KDOFPFPSSA-N 1 3 333.451 2.345 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ocnc1C ZINC001439414962 1092184014 /nfs/dbraw/zinc/18/40/14/1092184014.db2.gz CRUIWHVIRMESFC-JKSUJKDBSA-N 1 3 336.480 2.089 10 0 EEAEHO CC[C@H](C(=O)NCC1([NH2+][C@@H]2CCc3c2cccc3F)CC1)N(C)C ZINC001446206694 1092289504 /nfs/dbraw/zinc/28/95/04/1092289504.db2.gz MNKBWFOXVKFSBH-IAGOWNOFSA-N 1 3 333.451 2.392 10 0 EEAEHO Cc1cc(F)ccc1C[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C1CC1 ZINC001439500448 1092336248 /nfs/dbraw/zinc/33/62/48/1092336248.db2.gz VKIRJXDOWJFFJP-SFHVURJKSA-N 1 3 335.467 2.459 10 0 EEAEHO CC[C@@H](C(=O)NC1(C)CC[NH+](CCC[C@H]2CCOC2)CC1)N(C)C ZINC001439808457 1092770630 /nfs/dbraw/zinc/77/06/30/1092770630.db2.gz QNOFMBCRBNBMFI-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H]([NH2+]CCc1ccccc1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001440116693 1093177933 /nfs/dbraw/zinc/17/79/33/1093177933.db2.gz GMSOZOHBARBGSE-PKOBYXMFSA-N 1 3 329.488 2.152 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CC3)C2)C1 ZINC001440308594 1093437273 /nfs/dbraw/zinc/43/72/73/1093437273.db2.gz TXDAUUVXRQQBFF-RVKKMQEKSA-N 1 3 325.472 2.093 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1scnc1C ZINC001448787335 1093865951 /nfs/dbraw/zinc/86/59/51/1093865951.db2.gz ZSAWJNLFRCXCAZ-ZFWWWQNUSA-N 1 3 338.521 2.262 10 0 EEAEHO C[C@@H]1C[C@H](NCc2ccccc2OC2CC2)CN1C(=O)CC[NH+](C)C ZINC001449033627 1094045513 /nfs/dbraw/zinc/04/55/13/1094045513.db2.gz TWYJXFBPFGOVBP-WBVHZDCISA-N 1 3 345.487 2.259 10 0 EEAEHO C[C@@H](NCc1ccnn1C)[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001440820321 1094073356 /nfs/dbraw/zinc/07/33/56/1094073356.db2.gz YLONPQPWIAXDCW-CVEARBPZSA-N 1 3 349.523 2.058 10 0 EEAEHO C[C@@H](NCc1ccnn1C)[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001440820321 1094073360 /nfs/dbraw/zinc/07/33/60/1094073360.db2.gz YLONPQPWIAXDCW-CVEARBPZSA-N 1 3 349.523 2.058 10 0 EEAEHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001440843675 1094100864 /nfs/dbraw/zinc/10/08/64/1094100864.db2.gz UZTPUKJTHDYSPT-CHWSQXEVSA-N 1 3 333.467 2.492 10 0 EEAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[N@H+](C)CC[C@@H]1CCCCO1 ZINC001440954675 1094209553 /nfs/dbraw/zinc/20/95/53/1094209553.db2.gz NGAXATFHUYDPLB-IRXDYDNUSA-N 1 3 339.524 2.257 10 0 EEAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[N@@H+](C)CC[C@@H]1CCCCO1 ZINC001440954675 1094209556 /nfs/dbraw/zinc/20/95/56/1094209556.db2.gz NGAXATFHUYDPLB-IRXDYDNUSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(N(C)C)c2)[C@H]1C ZINC001441817520 1095852910 /nfs/dbraw/zinc/85/29/10/1095852910.db2.gz KZDUZRAKMUHVOQ-VQIMIIECSA-N 1 3 346.519 2.172 10 0 EEAEHO Cc1ccncc1CN[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001441865966 1095973573 /nfs/dbraw/zinc/97/35/73/1095973573.db2.gz DHVQCQVUJMFSRB-SJLPKXTDSA-N 1 3 332.492 2.105 10 0 EEAEHO Cc1ccncc1CN[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001441865966 1095973579 /nfs/dbraw/zinc/97/35/79/1095973579.db2.gz DHVQCQVUJMFSRB-SJLPKXTDSA-N 1 3 332.492 2.105 10 0 EEAEHO Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001441949187 1096149765 /nfs/dbraw/zinc/14/97/65/1096149765.db2.gz KTSVTYROKGTZFC-HZPDHXFCSA-N 1 3 346.519 2.450 10 0 EEAEHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1cc2ccccc2o1 ZINC001442007715 1096210472 /nfs/dbraw/zinc/21/04/72/1096210472.db2.gz JRSNZZVEOWETPJ-HUUCEWRRSA-N 1 3 329.444 2.369 10 0 EEAEHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1cc2ccccc2o1 ZINC001442007715 1096210479 /nfs/dbraw/zinc/21/04/79/1096210479.db2.gz JRSNZZVEOWETPJ-HUUCEWRRSA-N 1 3 329.444 2.369 10 0 EEAEHO CO[C@@H](C)CN(C)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001442127581 1096366690 /nfs/dbraw/zinc/36/66/90/1096366690.db2.gz VUBJPLORVGDYME-ZWKOTPCHSA-N 1 3 341.540 2.455 10 0 EEAEHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cc(F)cc(F)c1 ZINC001442294328 1096609594 /nfs/dbraw/zinc/60/95/94/1096609594.db2.gz JZOUNNKAHHGJII-ZIAGYGMSSA-N 1 3 339.430 2.291 10 0 EEAEHO CN(CC[NH2+][C@@H]1CCc2c1cc(F)cc2F)C(=O)[C@@H]1CCCN1C ZINC001443110703 1097524473 /nfs/dbraw/zinc/52/44/73/1097524473.db2.gz VPKXFAUMKMKSPE-SJORKVTESA-N 1 3 337.414 2.094 10 0 EEAEHO Cc1ccc(CN(C)CCCNC(=O)[C@H](C(C)C)[NH+](C)C)c(C)n1 ZINC001479777423 1098960684 /nfs/dbraw/zinc/96/06/84/1098960684.db2.gz PFHURBPHEMTLHB-SFHVURJKSA-N 1 3 334.508 2.223 10 0 EEAEHO Cc1nsc(C)c1CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001444600032 1099427275 /nfs/dbraw/zinc/42/72/75/1099427275.db2.gz UYYYOTFZWSULJI-UXIGCNINSA-N 1 3 338.521 2.037 10 0 EEAEHO Cc1nsc(C)c1CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001444600032 1099427282 /nfs/dbraw/zinc/42/72/82/1099427282.db2.gz UYYYOTFZWSULJI-UXIGCNINSA-N 1 3 338.521 2.037 10 0 EEAEHO C[C@H](CNCc1cccc(Cl)c1F)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001444716242 1099579361 /nfs/dbraw/zinc/57/93/61/1099579361.db2.gz CKPLLDANCDNAJC-OCCSQVGLSA-N 1 3 341.858 2.367 10 0 EEAEHO C[C@H](CNCc1cccc(Cl)c1F)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444716242 1099579369 /nfs/dbraw/zinc/57/93/69/1099579369.db2.gz CKPLLDANCDNAJC-OCCSQVGLSA-N 1 3 341.858 2.367 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CCC[C@H]2CN(Cc3cccnc3)CC[C@H]21 ZINC001480188933 1099786378 /nfs/dbraw/zinc/78/63/78/1099786378.db2.gz JHHXSVVMRNVSEI-RBUKOAKNSA-N 1 3 344.503 2.236 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]2CN(Cc3cccnc3)CC[C@H]21 ZINC001480188933 1099786388 /nfs/dbraw/zinc/78/63/88/1099786388.db2.gz JHHXSVVMRNVSEI-RBUKOAKNSA-N 1 3 344.503 2.236 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2ccn(CC)n2)C[C@@H]1C ZINC001446417164 1100827584 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EEAEHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccncc1Cl)N(C)C ZINC001497311022 1102295824 /nfs/dbraw/zinc/29/58/24/1102295824.db2.gz GGKSYZJGNCICBB-BBRMVZONSA-N 1 3 340.899 2.306 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001497580813 1102694692 /nfs/dbraw/zinc/69/46/92/1102694692.db2.gz YIRFJTZUESUCAP-SHCNBLLESA-N 1 3 330.476 2.025 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001497580813 1102694697 /nfs/dbraw/zinc/69/46/97/1102694697.db2.gz YIRFJTZUESUCAP-SHCNBLLESA-N 1 3 330.476 2.025 10 0 EEAEHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NC/C=C/CNCc1cccnc1 ZINC001497622293 1102765937 /nfs/dbraw/zinc/76/59/37/1102765937.db2.gz YSMYORDFCHFARO-VOTSOKGWSA-N 1 3 344.503 2.497 10 0 EEAEHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NC/C=C/CNCc1cccnc1 ZINC001497622293 1102765949 /nfs/dbraw/zinc/76/59/49/1102765949.db2.gz YSMYORDFCHFARO-VOTSOKGWSA-N 1 3 344.503 2.497 10 0 EEAEHO CCCN(C)CC(=O)N1CCC(C)([NH2+]Cc2conc2CC)CC1 ZINC001447564630 1102871653 /nfs/dbraw/zinc/87/16/53/1102871653.db2.gz LKGVZFUWJJKRLK-UHFFFAOYSA-N 1 3 336.480 2.050 10 0 EEAEHO C[NH+]1CCC(C(=O)NC2CC(CNC/C(Cl)=C/Cl)C2)CC1 ZINC001447803963 1103365670 /nfs/dbraw/zinc/36/56/70/1103365670.db2.gz ITDYRNJTJPGVKX-JYRVWZFOSA-N 1 3 334.291 2.132 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001494083028 1103495267 /nfs/dbraw/zinc/49/52/67/1103495267.db2.gz LICPYNYROJKQRD-IEBWSBKVSA-N 1 3 344.503 2.284 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001494083028 1103495270 /nfs/dbraw/zinc/49/52/70/1103495270.db2.gz LICPYNYROJKQRD-IEBWSBKVSA-N 1 3 344.503 2.284 10 0 EEAEHO Cc1cccnc1CN[C@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001447907804 1103570273 /nfs/dbraw/zinc/57/02/73/1103570273.db2.gz KSCHMGHUSXJNOU-SJORKVTESA-N 1 3 346.519 2.493 10 0 EEAEHO C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCCC(F)(F)C1 ZINC001494667446 1104254833 /nfs/dbraw/zinc/25/48/33/1104254833.db2.gz HXMXANZJVPUNAK-ILXRZTDVSA-N 1 3 329.435 2.049 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001480598037 1106738140 /nfs/dbraw/zinc/73/81/40/1106738140.db2.gz XZBMIZLJOZTRNW-SJORKVTESA-N 1 3 331.504 2.226 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCCC1(F)F)N(C)C ZINC001498056503 1106853637 /nfs/dbraw/zinc/85/36/37/1106853637.db2.gz XBKQXTSIFQLXMW-KKUMJFAQSA-N 1 3 333.467 2.492 10 0 EEAEHO CO[C@H](C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1)c1ccccc1 ZINC001480682433 1106873840 /nfs/dbraw/zinc/87/38/40/1106873840.db2.gz GCVVTOYFKOSKFQ-PKOBYXMFSA-N 1 3 347.503 2.152 10 0 EEAEHO Cc1cc(C[N@H+]2CCC[C@H]2CCCNC(=O)C2(N(C)C)CCC2)on1 ZINC001480826320 1107205198 /nfs/dbraw/zinc/20/51/98/1107205198.db2.gz PLFOWJLHJFEQEX-MRXNPFEDSA-N 1 3 348.491 2.328 10 0 EEAEHO Cc1cc(C[N@@H+]2CCC[C@H]2CCCNC(=O)C2(N(C)C)CCC2)on1 ZINC001480826320 1107205203 /nfs/dbraw/zinc/20/52/03/1107205203.db2.gz PLFOWJLHJFEQEX-MRXNPFEDSA-N 1 3 348.491 2.328 10 0 EEAEHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCF)N1CCCCC1 ZINC001493163445 1107623952 /nfs/dbraw/zinc/62/39/52/1107623952.db2.gz VVTLGNCMAYRTIT-DLBZAZTESA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CCCF)N1CCCCC1 ZINC001493163445 1107623955 /nfs/dbraw/zinc/62/39/55/1107623955.db2.gz VVTLGNCMAYRTIT-DLBZAZTESA-N 1 3 327.488 2.437 10 0 EEAEHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCCNCc1nc(C)cs1 ZINC001498659160 1107912639 /nfs/dbraw/zinc/91/26/39/1107912639.db2.gz VTEVFXOBHGKYMI-HNNXBMFYSA-N 1 3 338.521 2.264 10 0 EEAEHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCCNCc1nc(C)cs1 ZINC001498659160 1107912646 /nfs/dbraw/zinc/91/26/46/1107912646.db2.gz VTEVFXOBHGKYMI-HNNXBMFYSA-N 1 3 338.521 2.264 10 0 EEAEHO CN(C)C1(C(=O)N(C)CC[NH2+]Cc2ccc(Cl)s2)CCC1 ZINC001493574900 1108341904 /nfs/dbraw/zinc/34/19/04/1108341904.db2.gz NXQSJSZZDRVQOU-UHFFFAOYSA-N 1 3 329.897 2.434 10 0 EEAEHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC001460846387 1110326226 /nfs/dbraw/zinc/32/62/26/1110326226.db2.gz DUMNDTHSTAKQKK-CYBMUJFWSA-N 1 3 348.413 2.309 10 0 EEAEHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC001460846387 1110326229 /nfs/dbraw/zinc/32/62/29/1110326229.db2.gz DUMNDTHSTAKQKK-CYBMUJFWSA-N 1 3 348.413 2.309 10 0 EEAEHO CC(C)OCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001499480959 1112312198 /nfs/dbraw/zinc/31/21/98/1112312198.db2.gz KTFFROYEXPXULR-WMZOPIPTSA-N 1 3 348.491 2.080 10 0 EEAEHO CC(C)OCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001499480959 1112312202 /nfs/dbraw/zinc/31/22/02/1112312202.db2.gz KTFFROYEXPXULR-WMZOPIPTSA-N 1 3 348.491 2.080 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CC[C@H]1CCCO1)C1CCCC1 ZINC001500122866 1112627685 /nfs/dbraw/zinc/62/76/85/1112627685.db2.gz MHAPLMLLLOYNDH-AEFFLSMTSA-N 1 3 348.491 2.094 10 0 EEAEHO C[C@@H](F)CCN1CCC(F)(F)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001500613183 1112976558 /nfs/dbraw/zinc/97/65/58/1112976558.db2.gz CHXKLNBASYKTDR-ZIAGYGMSSA-N 1 3 337.430 2.150 10 0 EEAEHO Cc1ncc(CN[C@@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC001507115418 1115115976 /nfs/dbraw/zinc/11/59/76/1115115976.db2.gz ADDPYQCSUWCDDI-YDHLFZDLSA-N 1 3 338.521 2.118 10 0 EEAEHO Cc1ncc(CN[C@@H](C)CN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC001507115418 1115115978 /nfs/dbraw/zinc/11/59/78/1115115978.db2.gz ADDPYQCSUWCDDI-YDHLFZDLSA-N 1 3 338.521 2.118 10 0 EEAEHO Cc1nn(C(C)C)cc1CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001507291353 1115176724 /nfs/dbraw/zinc/17/67/24/1115176724.db2.gz VCHKYOYAZVQRPL-FUHWJXTLSA-N 1 3 349.523 2.193 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC2CC(F)(F)C2)C(C)(C)C1 ZINC001507453385 1115278833 /nfs/dbraw/zinc/27/88/33/1115278833.db2.gz HGKPHQVEWCCIFM-AWEZNQCLSA-N 1 3 331.451 2.199 10 0 EEAEHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccnc(Cl)c1 ZINC001567985103 1124217270 /nfs/dbraw/zinc/21/72/70/1124217270.db2.gz AFFFHPDJGZPEPM-HOCLYGCPSA-N 1 3 340.899 2.306 10 0 EEAEHO CC[C@@H](F)C[NH2+]CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001568087779 1124292312 /nfs/dbraw/zinc/29/23/12/1124292312.db2.gz NOOZWNDFSBKOFB-MRXNPFEDSA-N 1 3 327.488 2.437 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001568113333 1124309215 /nfs/dbraw/zinc/30/92/15/1124309215.db2.gz FKAZKKADDYYTHQ-SHTZXODSSA-N 1 3 338.521 2.392 10 0 EEAEHO C[C@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001568678533 1124690291 /nfs/dbraw/zinc/69/02/91/1124690291.db2.gz UABFEHOKPAOZPJ-ZIAGYGMSSA-N 1 3 338.883 2.061 10 0 EEAEHO COc1cc(CNC/C=C\CNC(=O)C[C@@H]2CC[N@H+](C)C2)ccc1C ZINC001568949431 1124982887 /nfs/dbraw/zinc/98/28/87/1124982887.db2.gz CIZJLALKPVRWNZ-XDXAGZTOSA-N 1 3 345.487 2.107 10 0 EEAEHO COc1cc(CNC/C=C\CNC(=O)C[C@@H]2CC[N@@H+](C)C2)ccc1C ZINC001568949431 1124982891 /nfs/dbraw/zinc/98/28/91/1124982891.db2.gz CIZJLALKPVRWNZ-XDXAGZTOSA-N 1 3 345.487 2.107 10 0 EEAEHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000183951785 299279867 /nfs/dbraw/zinc/27/98/67/299279867.db2.gz DWKWJVKNTIKZGX-AWEZNQCLSA-N 1 3 339.505 2.107 10 0 EEAEHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000423106601 283467400 /nfs/dbraw/zinc/46/74/00/283467400.db2.gz JUFIIGUZCGZGPE-SWLSCSKDSA-N 1 3 338.883 2.380 10 0 EEAEHO C[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1=CCN(C)CC1 ZINC000358116371 296061083 /nfs/dbraw/zinc/06/10/83/296061083.db2.gz SSQYPXDEGZKTFC-AEFFLSMTSA-N 1 3 334.508 2.297 10 0 EEAEHO Fc1cc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc(F)c1F ZINC000423051084 240343638 /nfs/dbraw/zinc/34/36/38/240343638.db2.gz ZVDJPTCWAZYWNR-APHBMKBZSA-N 1 3 328.378 2.393 10 0 EEAEHO COC[C@H](CCC[NH3+])NCc1ccc(Br)cc1OC ZINC000423065843 240348569 /nfs/dbraw/zinc/34/85/69/240348569.db2.gz VHKGIZKDIWOSSB-ZDUSSCGKSA-N 1 3 331.254 2.301 10 0 EEAEHO C[C@@H](O)CCC[N@H+]1CCC[C@@]2(CCCN(CCC[C@H](C)O)C2)C1 ZINC000352027949 296170373 /nfs/dbraw/zinc/17/03/73/296170373.db2.gz NPSCTUVUYMPHHM-CEXWTWQISA-N 1 3 326.525 2.486 10 0 EEAEHO C[C@@H](O)CCC[N@@H+]1CCC[C@@]2(CCCN(CCC[C@H](C)O)C2)C1 ZINC000352027949 296170374 /nfs/dbraw/zinc/17/03/74/296170374.db2.gz NPSCTUVUYMPHHM-CEXWTWQISA-N 1 3 326.525 2.486 10 0 EEAEHO C[C@@H](O)CCCN1CCC[C@@]2(CCC[N@H+](CCC[C@H](C)O)C2)C1 ZINC000352027949 296170375 /nfs/dbraw/zinc/17/03/75/296170375.db2.gz NPSCTUVUYMPHHM-CEXWTWQISA-N 1 3 326.525 2.486 10 0 EEAEHO C[C@@H](O)CCCN1CCC[C@@]2(CCC[N@@H+](CCC[C@H](C)O)C2)C1 ZINC000352027949 296170376 /nfs/dbraw/zinc/17/03/76/296170376.db2.gz NPSCTUVUYMPHHM-CEXWTWQISA-N 1 3 326.525 2.486 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2OCCN(C)C)CC[N@@H+]1C ZINC000266003575 248019505 /nfs/dbraw/zinc/01/95/05/248019505.db2.gz QGACEYHEFUHAQA-CVEARBPZSA-N 1 3 333.476 2.182 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2OCCN(C)C)CC[N@H+]1C ZINC000266003575 248019510 /nfs/dbraw/zinc/01/95/10/248019510.db2.gz QGACEYHEFUHAQA-CVEARBPZSA-N 1 3 333.476 2.182 10 0 EEAEHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2OCC(=O)N(C)C)[C@H](C)C1 ZINC000093639269 218236285 /nfs/dbraw/zinc/23/62/85/218236285.db2.gz CPYVBDCTHUKRIQ-AEFFLSMTSA-N 1 3 347.503 2.316 10 0 EEAEHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2OCC(=O)N(C)C)[C@H](C)C1 ZINC000093639269 218236288 /nfs/dbraw/zinc/23/62/88/218236288.db2.gz CPYVBDCTHUKRIQ-AEFFLSMTSA-N 1 3 347.503 2.316 10 0 EEAEHO CC[N@H+](CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000268598723 252055023 /nfs/dbraw/zinc/05/50/23/252055023.db2.gz UIZWVBNWTSEMMD-IBGZPJMESA-N 1 3 344.503 2.387 10 0 EEAEHO CC[N@@H+](CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000268598723 252055027 /nfs/dbraw/zinc/05/50/27/252055027.db2.gz UIZWVBNWTSEMMD-IBGZPJMESA-N 1 3 344.503 2.387 10 0 EEAEHO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)CC(C)C ZINC000173687913 152188492 /nfs/dbraw/zinc/18/84/92/152188492.db2.gz FEBRRDBWRGAGHN-QZTJIDSGSA-N 1 3 336.524 2.399 10 0 EEAEHO CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261548077 160398825 /nfs/dbraw/zinc/39/88/25/160398825.db2.gz JBOWKVAWGYXWGP-ROUUACIJSA-N 1 3 327.472 2.109 10 0 EEAEHO CN1C[C@@H]2C[N@@H+](CCc3nc(-c4cccc(Cl)c4)no3)C[C@@H]2C1 ZINC000193639273 160184745 /nfs/dbraw/zinc/18/47/45/160184745.db2.gz CDZNPUGQEGNCPW-OKILXGFUSA-N 1 3 332.835 2.426 10 0 EEAEHO CN1C[C@@H]2C[N@H+](CCc3nc(-c4cccc(Cl)c4)no3)C[C@@H]2C1 ZINC000193639273 160184748 /nfs/dbraw/zinc/18/47/48/160184748.db2.gz CDZNPUGQEGNCPW-OKILXGFUSA-N 1 3 332.835 2.426 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000346370484 161367061 /nfs/dbraw/zinc/36/70/61/161367061.db2.gz KWDTYZMEEBJOLJ-SJLPKXTDSA-N 1 3 344.503 2.041 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000346370484 161367062 /nfs/dbraw/zinc/36/70/62/161367062.db2.gz KWDTYZMEEBJOLJ-SJLPKXTDSA-N 1 3 344.503 2.041 10 0 EEAEHO CCOC(=O)COCC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352094027 162065503 /nfs/dbraw/zinc/06/55/03/162065503.db2.gz WNQOQQQCXUUSNH-FQEVSTJZSA-N 1 3 346.471 2.164 10 0 EEAEHO CCOC(=O)COCC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352094027 162065504 /nfs/dbraw/zinc/06/55/04/162065504.db2.gz WNQOQQQCXUUSNH-FQEVSTJZSA-N 1 3 346.471 2.164 10 0 EEAEHO CN(C)CCN(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000356062939 163320659 /nfs/dbraw/zinc/32/06/59/163320659.db2.gz RSKMIPCTZYQHGA-UHFFFAOYSA-N 1 3 332.492 2.376 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000360438135 164310454 /nfs/dbraw/zinc/31/04/54/164310454.db2.gz VNHCTICBOCCXEP-INIZCTEOSA-N 1 3 342.487 2.373 10 0 EEAEHO CC[NH2+]Cc1cccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000364213866 165053401 /nfs/dbraw/zinc/05/34/01/165053401.db2.gz RIASYFAEDMEHEG-FRQCXROJSA-N 1 3 331.460 2.267 10 0 EEAEHO C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)C1=CC[N@H+](C)CC1 ZINC000272686920 269008868 /nfs/dbraw/zinc/00/88/68/269008868.db2.gz BQLNQRVSGDVMRG-ZYSHUDEJSA-N 1 3 342.487 2.381 10 0 EEAEHO C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000272686920 269008869 /nfs/dbraw/zinc/00/88/69/269008869.db2.gz BQLNQRVSGDVMRG-ZYSHUDEJSA-N 1 3 342.487 2.381 10 0 EEAEHO COCCN1CC[C@@H](Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)C1 ZINC000274369672 269028389 /nfs/dbraw/zinc/02/83/89/269028389.db2.gz KPRVPUMXMFEBPE-QGZVFWFLSA-N 1 3 348.491 2.018 10 0 EEAEHO CC[N@@H+]1CC[C@@H](N(C)CCc2c(C)nc3ccccn3c2=O)[C@@H](C)C1 ZINC000289397607 275113622 /nfs/dbraw/zinc/11/36/22/275113622.db2.gz RYZSHXFHPHUFAY-MAUKXSAKSA-N 1 3 342.487 2.208 10 0 EEAEHO CC[N@H+]1CC[C@@H](N(C)CCc2c(C)nc3ccccn3c2=O)[C@@H](C)C1 ZINC000289397607 275113623 /nfs/dbraw/zinc/11/36/23/275113623.db2.gz RYZSHXFHPHUFAY-MAUKXSAKSA-N 1 3 342.487 2.208 10 0 EEAEHO CC[N@H+](CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)C1CC1 ZINC000179152331 279202247 /nfs/dbraw/zinc/20/22/47/279202247.db2.gz QDOPDSDUFQQALK-ZWKOTPCHSA-N 1 3 330.476 2.215 10 0 EEAEHO CC[N@@H+](CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)C1CC1 ZINC000179152331 279202252 /nfs/dbraw/zinc/20/22/52/279202252.db2.gz QDOPDSDUFQQALK-ZWKOTPCHSA-N 1 3 330.476 2.215 10 0 EEAEHO CN1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccccc1 ZINC000297030261 294133780 /nfs/dbraw/zinc/13/37/80/294133780.db2.gz LXIDKVLEFQIWEQ-JEQQUTEPSA-N 1 3 342.487 2.356 10 0 EEAEHO CN1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccccc1 ZINC000297030261 294133783 /nfs/dbraw/zinc/13/37/83/294133783.db2.gz LXIDKVLEFQIWEQ-JEQQUTEPSA-N 1 3 342.487 2.356 10 0 EEAEHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000333582108 312169560 /nfs/dbraw/zinc/16/95/60/312169560.db2.gz ABJNEHSZPZJURL-DZKIICNBSA-N 1 3 336.505 2.091 10 0 EEAEHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]C[C@H]2C)c(OC)c1 ZINC000414939060 313113045 /nfs/dbraw/zinc/11/30/45/313113045.db2.gz JCGUVJDOHOQTKA-VNHYZAJKSA-N 1 3 335.448 2.009 10 0 EEAEHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)c(OC)c1 ZINC000414939060 313113050 /nfs/dbraw/zinc/11/30/50/313113050.db2.gz JCGUVJDOHOQTKA-VNHYZAJKSA-N 1 3 335.448 2.009 10 0 EEAEHO CN(C)Cc1cccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000417061671 313410871 /nfs/dbraw/zinc/41/08/71/313410871.db2.gz FZLMNMJTHITVBB-JWTNVVGKSA-N 1 3 330.476 2.173 10 0 EEAEHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000417696903 313568789 /nfs/dbraw/zinc/56/87/89/313568789.db2.gz VXOURPDXHKDYCN-VKJFTORMSA-N 1 3 330.476 2.343 10 0 EEAEHO C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@H](c1ccccc1)N(C)C ZINC000418162881 313730834 /nfs/dbraw/zinc/73/08/34/313730834.db2.gz DDRISWNZCRXVPE-KANFNMMFSA-N 1 3 344.503 2.319 10 0 EEAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418579826 313852589 /nfs/dbraw/zinc/85/25/89/313852589.db2.gz RXZOZGABFNKNEG-QAPCUYQASA-N 1 3 332.492 2.278 10 0 EEAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](O)[C@H]2CCCO2)CC1 ZINC000527955778 317293212 /nfs/dbraw/zinc/29/32/12/317293212.db2.gz RZJFPHYVYMFVGY-LSTHTHJFSA-N 1 3 332.488 2.212 10 0 EEAEHO C[NH+](C)CC1CCC(NC(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000566610130 319304805 /nfs/dbraw/zinc/30/48/05/319304805.db2.gz AYNUXVHTZKSNGD-GXOAENINSA-N 1 3 344.503 2.293 10 0 EEAEHO Fc1ccc(-c2nnc3n2C[C@H](NC2C[C@H]4CC[C@@H](C2)[NH2+]4)CC3)cc1 ZINC000571633267 319772307 /nfs/dbraw/zinc/77/23/07/319772307.db2.gz ZOJBIJDRRBBBHF-LVYZTWJOSA-N 1 3 341.434 2.272 10 0 EEAEHO C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)CN(C)C)C(C)(C)C[NH+](C)C ZINC000085393891 462543908 /nfs/dbraw/zinc/54/39/08/462543908.db2.gz RUWNBTVDSITQQS-AEFFLSMTSA-N 1 3 348.535 2.435 10 0 EEAEHO CN(C)CCOc1cccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000262212996 463974099 /nfs/dbraw/zinc/97/40/99/463974099.db2.gz YJJSIWKUFJHWDJ-UHOSZYNNSA-N 1 3 345.487 2.164 10 0 EEAEHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172232734 464023436 /nfs/dbraw/zinc/02/34/36/464023436.db2.gz WJKKBBWRCGJQAR-RTBURBONSA-N 1 3 342.487 2.141 10 0 EEAEHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172232734 464023443 /nfs/dbraw/zinc/02/34/43/464023443.db2.gz WJKKBBWRCGJQAR-RTBURBONSA-N 1 3 342.487 2.141 10 0 EEAEHO CCC[C@@H](N)C(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000182513304 464672441 /nfs/dbraw/zinc/67/24/41/464672441.db2.gz XQBXEJLDSRPBDP-RTBURBONSA-N 1 3 347.503 2.018 10 0 EEAEHO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000247971912 464719648 /nfs/dbraw/zinc/71/96/48/464719648.db2.gz FUKRZGCXRYHZNX-MSOLQXFVSA-N 1 3 332.492 2.413 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000579941519 468437792 /nfs/dbraw/zinc/43/77/92/468437792.db2.gz LTQGDOVXPLZMFW-KRWDZBQOSA-N 1 3 330.476 2.159 10 0 EEAEHO COc1cc(C)c(CN2CCC(C[NH+]3CCN(C)CC3)CC2)c(C)n1 ZINC000349081959 465957354 /nfs/dbraw/zinc/95/73/54/465957354.db2.gz XDENAJOKMXPMFM-UHFFFAOYSA-N 1 3 346.519 2.166 10 0 EEAEHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000349805516 466250060 /nfs/dbraw/zinc/25/00/60/466250060.db2.gz YAIKQQCIDDKKQF-UIBIWLFHSA-N 1 3 336.524 2.231 10 0 EEAEHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000349805516 466250065 /nfs/dbraw/zinc/25/00/65/466250065.db2.gz YAIKQQCIDDKKQF-UIBIWLFHSA-N 1 3 336.524 2.231 10 0 EEAEHO CCOC(=O)c1cccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC000600165213 468481654 /nfs/dbraw/zinc/48/16/54/468481654.db2.gz IJYVZEPAMSMJCF-INIZCTEOSA-N 1 3 331.460 2.422 10 0 EEAEHO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c1 ZINC000367613959 466448624 /nfs/dbraw/zinc/44/86/24/466448624.db2.gz GOBUVJUDIBWGJT-VDHUWJSZSA-N 1 3 334.460 2.200 10 0 EEAEHO COc1ccc(OC)c([C@H](O)CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367613959 466448631 /nfs/dbraw/zinc/44/86/31/466448631.db2.gz GOBUVJUDIBWGJT-VDHUWJSZSA-N 1 3 334.460 2.200 10 0 EEAEHO COc1ccc(OC)c([C@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367613959 466448638 /nfs/dbraw/zinc/44/86/38/466448638.db2.gz GOBUVJUDIBWGJT-VDHUWJSZSA-N 1 3 334.460 2.200 10 0 EEAEHO C[C@H]1C[C@H](N(C)C(=O)CCN2CCc3ccccc3C2)CC[N@@H+]1C ZINC000354361379 466506215 /nfs/dbraw/zinc/50/62/15/466506215.db2.gz HFHDKVWNEPXIDZ-QFBILLFUSA-N 1 3 329.488 2.376 10 0 EEAEHO C[C@H]1C[C@H](N(C)C(=O)CCN2CCc3ccccc3C2)CC[N@H+]1C ZINC000354361379 466506219 /nfs/dbraw/zinc/50/62/19/466506219.db2.gz HFHDKVWNEPXIDZ-QFBILLFUSA-N 1 3 329.488 2.376 10 0 EEAEHO COc1ccc([C@H](CCn2cncn2)[NH2+][C@H]2CCNC[C@@H]2C)cc1 ZINC000423406344 466742032 /nfs/dbraw/zinc/74/20/32/466742032.db2.gz URISQXWHHSCAGR-WBAXXEDZSA-N 1 3 329.448 2.006 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)[C@@H]1c1ccccc1 ZINC000417947022 466998847 /nfs/dbraw/zinc/99/88/47/466998847.db2.gz RSJOXIGEMTXSSG-RDGPPVDQSA-N 1 3 342.487 2.073 10 0 EEAEHO C[C@@H]([NH3+])c1ccc(CNC(=O)NCCCN2CCCO[C@H](C)C2)cc1 ZINC000418112029 467048443 /nfs/dbraw/zinc/04/84/43/467048443.db2.gz HLBVFDHXLUMGRO-HZPDHXFCSA-N 1 3 348.491 2.006 10 0 EEAEHO C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@H](N)c3ccccc3)C2)CC1 ZINC000418432150 467110347 /nfs/dbraw/zinc/11/03/47/467110347.db2.gz SJRPJLUWGCOFQN-ROUUACIJSA-N 1 3 330.476 2.060 10 0 EEAEHO CN(C(=O)NCC[C@H]1CCC[NH2+]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418542937 467126390 /nfs/dbraw/zinc/12/63/90/467126390.db2.gz ARMFELIRULMQMK-QZTJIDSGSA-N 1 3 330.476 2.044 10 0 EEAEHO C[C@H](CCCC[NH3+])NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418667319 467143291 /nfs/dbraw/zinc/14/32/91/467143291.db2.gz FGYAKSYJDAOBPV-AEFFLSMTSA-N 1 3 332.492 2.420 10 0 EEAEHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433316170 467317292 /nfs/dbraw/zinc/31/72/92/467317292.db2.gz FALNSPJRWKGOOO-OAHLLOKOSA-N 1 3 331.464 2.033 10 0 EEAEHO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CNCCCO1 ZINC000415043526 467474500 /nfs/dbraw/zinc/47/45/00/467474500.db2.gz RPHHKGBSEFFHMF-SMDDNHRTSA-N 1 3 345.256 2.487 10 0 EEAEHO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCCNC2)c(OC)c1 ZINC000415067242 467480733 /nfs/dbraw/zinc/48/07/33/467480733.db2.gz KGFLUQQWJOFICT-KGLIPLIRSA-N 1 3 335.448 2.153 10 0 EEAEHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407352477 467484245 /nfs/dbraw/zinc/48/42/45/467484245.db2.gz CFDPLJDFCPSAPD-IPMKNSEASA-N 1 3 327.472 2.298 10 0 EEAEHO Cc1ccc(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c(OCCN(C)C)c1 ZINC000415197303 467516342 /nfs/dbraw/zinc/51/63/42/467516342.db2.gz AQMBJWPNEIHPRZ-GJZGRUSLSA-N 1 3 334.464 2.055 10 0 EEAEHO COC[C@@](C)(O)CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000449387455 467635951 /nfs/dbraw/zinc/63/59/51/467635951.db2.gz XDSZMNFAYPBUJP-FQEVSTJZSA-N 1 3 349.519 2.094 10 0 EEAEHO C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000449396715 467638288 /nfs/dbraw/zinc/63/82/88/467638288.db2.gz MKDKTTMKGOPPFW-TYPHKJRUSA-N 1 3 345.531 2.333 10 0 EEAEHO C[C@H](NC[C@@H]1CCCCN1CCO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449396715 467638290 /nfs/dbraw/zinc/63/82/90/467638290.db2.gz MKDKTTMKGOPPFW-TYPHKJRUSA-N 1 3 345.531 2.333 10 0 EEAEHO C[C@H](NC[C@@H]1CCCCN1CCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449396715 467638294 /nfs/dbraw/zinc/63/82/94/467638294.db2.gz MKDKTTMKGOPPFW-TYPHKJRUSA-N 1 3 345.531 2.333 10 0 EEAEHO Cc1ccc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)c(OCCN(C)C)c1 ZINC000528680317 467726969 /nfs/dbraw/zinc/72/69/69/467726969.db2.gz NMHRAOPGAXANMN-QGZVFWFLSA-N 1 3 346.475 2.342 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000515341940 467986474 /nfs/dbraw/zinc/98/64/74/467986474.db2.gz CGUFYICWJCRHTF-YVWKXTFCSA-N 1 3 344.503 2.338 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000515341938 467986569 /nfs/dbraw/zinc/98/65/69/467986569.db2.gz CGUFYICWJCRHTF-KPFFTGBYSA-N 1 3 344.503 2.338 10 0 EEAEHO Cc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)n(C2CCN(C)CC2)n1 ZINC000530710669 468003854 /nfs/dbraw/zinc/00/38/54/468003854.db2.gz SRDWPYWQGDCEQF-GJZGRUSLSA-N 1 3 348.495 2.062 10 0 EEAEHO Cc1cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)n(C2CCN(C)CC2)n1 ZINC000530710669 468003857 /nfs/dbraw/zinc/00/38/57/468003857.db2.gz SRDWPYWQGDCEQF-GJZGRUSLSA-N 1 3 348.495 2.062 10 0 EEAEHO COc1ccc2ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc2c1 ZINC000550328053 468214457 /nfs/dbraw/zinc/21/44/57/468214457.db2.gz KRQIXICPJHGHNZ-UHFFFAOYSA-N 1 3 343.471 2.414 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000583921207 468774340 /nfs/dbraw/zinc/77/43/40/468774340.db2.gz DGVZMATZBXFBFE-NEPXVJNWSA-N 1 3 344.503 2.337 10 0 EEAEHO CN1CC[C@@H](NC(=O)NCCC2=CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000572499516 468942222 /nfs/dbraw/zinc/94/22/22/468942222.db2.gz FWLJCJYAMIRPLM-MSOLQXFVSA-N 1 3 328.460 2.041 10 0 EEAEHO CN1CCC[C@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000618554607 469386729 /nfs/dbraw/zinc/38/67/29/469386729.db2.gz QSCPACQAVHGHHC-ROUUACIJSA-N 1 3 330.476 2.217 10 0 EEAEHO CC(C)(C)N1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000617007259 469569427 /nfs/dbraw/zinc/56/94/27/469569427.db2.gz OYMUHNVRAWGEOC-ROUUACIJSA-N 1 3 329.488 2.498 10 0 EEAEHO CC(C)(C)N1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000617007259 469569433 /nfs/dbraw/zinc/56/94/33/469569433.db2.gz OYMUHNVRAWGEOC-ROUUACIJSA-N 1 3 329.488 2.498 10 0 EEAEHO CCN(C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000617551056 469723651 /nfs/dbraw/zinc/72/36/51/469723651.db2.gz KDZYLIKDSYREAU-VQTJNVASSA-N 1 3 343.515 2.494 10 0 EEAEHO CCN(C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000617551056 469723656 /nfs/dbraw/zinc/72/36/56/469723656.db2.gz KDZYLIKDSYREAU-VQTJNVASSA-N 1 3 343.515 2.494 10 0 EEAEHO CN(CCCN(C)C(=O)N[C@H]1CC[NH2+]C12CCC2)Cc1ccco1 ZINC000627127975 469819964 /nfs/dbraw/zinc/81/99/64/469819964.db2.gz BRPJFYAMFNMPMV-INIZCTEOSA-N 1 3 334.464 2.028 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)C[NH2+]1 ZINC000627208522 469844792 /nfs/dbraw/zinc/84/47/92/469844792.db2.gz YBCGXDWEBPXYOD-ZHALLVOQSA-N 1 3 344.503 2.290 10 0 EEAEHO CN(C)CCNC(=O)c1ccc(C[NH2+]C[C@@]2(C)CCCS2)cc1 ZINC000628233753 470079375 /nfs/dbraw/zinc/07/93/75/470079375.db2.gz STHYHQUPDZRETO-GOSISDBHSA-N 1 3 335.517 2.353 10 0 EEAEHO CN1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000625297339 470114577 /nfs/dbraw/zinc/11/45/77/470114577.db2.gz LIUSRRDJFZVFES-HSALFYBXSA-N 1 3 341.499 2.355 10 0 EEAEHO CN1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000625297339 470114580 /nfs/dbraw/zinc/11/45/80/470114580.db2.gz LIUSRRDJFZVFES-HSALFYBXSA-N 1 3 341.499 2.355 10 0 EEAEHO NC(=O)COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3N)cc2)cc1 ZINC000622044589 470153736 /nfs/dbraw/zinc/15/37/36/470153736.db2.gz LJPJIDIGRBSRST-RTBURBONSA-N 1 3 339.439 2.187 10 0 EEAEHO C[C@@](O)(C[C@H](O)CNC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000634642397 470273422 /nfs/dbraw/zinc/27/34/22/470273422.db2.gz JSTMNQCQQFRBCE-LEWJYISDSA-N 1 3 346.515 2.195 10 0 EEAEHO C[C@](O)(C[C@H](O)CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634701357 470281814 /nfs/dbraw/zinc/28/18/14/470281814.db2.gz OOFYURASHREVLK-GIVPXCGWSA-N 1 3 346.515 2.400 10 0 EEAEHO C[C@](O)(C[C@H](O)CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000634701357 470281815 /nfs/dbraw/zinc/28/18/15/470281815.db2.gz OOFYURASHREVLK-GIVPXCGWSA-N 1 3 346.515 2.400 10 0 EEAEHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000646190134 470559286 /nfs/dbraw/zinc/55/92/86/470559286.db2.gz VGQFRJKJVVOKFX-NUJGCVRESA-N 1 3 330.476 2.127 10 0 EEAEHO C[C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CCc2ccccc21 ZINC000649833011 470713879 /nfs/dbraw/zinc/71/38/79/470713879.db2.gz BMCMWONFCVBQOT-MRXNPFEDSA-N 1 3 341.499 2.391 10 0 EEAEHO CN1CCC[C@H](NC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000650724705 470952391 /nfs/dbraw/zinc/95/23/91/470952391.db2.gz KWCBKAQOGQWNSO-PKOBYXMFSA-N 1 3 330.476 2.044 10 0 EEAEHO CN1CCC[C@H](NC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000650724705 470952396 /nfs/dbraw/zinc/95/23/96/470952396.db2.gz KWCBKAQOGQWNSO-PKOBYXMFSA-N 1 3 330.476 2.044 10 0 EEAEHO C[C@H]1C[C@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CN1Cc1ccccc1 ZINC000654486484 471037297 /nfs/dbraw/zinc/03/72/97/471037297.db2.gz SEGWCYFMELDFSR-DSLXNQLJSA-N 1 3 344.503 2.289 10 0 EEAEHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000640941588 471130284 /nfs/dbraw/zinc/13/02/84/471130284.db2.gz RVGOBLUMWKAMJL-IEBWSBKVSA-N 1 3 344.503 2.210 10 0 EEAEHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652137169 471242636 /nfs/dbraw/zinc/24/26/36/471242636.db2.gz BRKOBBHSWJTEBQ-DOTOQJQBSA-N 1 3 330.476 2.250 10 0 EEAEHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCSCC2)cc1 ZINC000657919840 471248931 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2.241 10 0 EEAEHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1ccccc1C(F)(F)F)C2 ZINC000903491936 1240655202 /nfs/dbraw/zinc/65/52/02/1240655202.db2.gz GUIKOKRRLHPQMU-ZENOOKHLSA-N 1 3 342.361 2.418 10 0 EEAEHO c1csc(CN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@@H]2CCCO2)c1 ZINC000903718514 1241710297 /nfs/dbraw/zinc/71/02/97/1241710297.db2.gz NZNVOANIRXKWKX-JZXOWHBKSA-N 1 3 336.501 2.498 10 0 EEAEHO COC[C@H](Cc1ccccc1)N(C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903913986 1242461131 /nfs/dbraw/zinc/46/11/31/1242461131.db2.gz RBHOBTBSNSTSNR-ICSRJNTNSA-N 1 3 344.503 2.035 10 0 EEAEHO CCN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@H]1CCCCN1CC ZINC001273772584 1285356188 /nfs/dbraw/zinc/35/61/88/1285356188.db2.gz ZWXDVTYJOBLXQL-OAHLLOKOSA-N 1 3 331.451 2.344 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@H]1CCCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001490454871 1291391358 /nfs/dbraw/zinc/39/13/58/1291391358.db2.gz PVJSMRZLIPOTHT-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000855163382 1293095936 /nfs/dbraw/zinc/09/59/36/1293095936.db2.gz XDUZPXMKVYCJGC-KBXCAEBGSA-N 1 3 327.488 2.436 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000855163382 1293095942 /nfs/dbraw/zinc/09/59/42/1293095942.db2.gz XDUZPXMKVYCJGC-KBXCAEBGSA-N 1 3 327.488 2.436 10 0 EEAEHO c1[nH]nc2c1CCC[C@H]2[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000857848353 1293929963 /nfs/dbraw/zinc/92/99/63/1293929963.db2.gz HYZXIDWPKJERAT-GOSISDBHSA-N 1 3 326.444 2.409 10 0 EEAEHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)C1)CC(C)(C)C ZINC001490928253 1299584881 /nfs/dbraw/zinc/58/48/81/1299584881.db2.gz KSHPXWCFBHOKAV-JYJNAYRXSA-N 1 3 339.524 2.016 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC001491124849 1299609742 /nfs/dbraw/zinc/60/97/42/1299609742.db2.gz BQPSSNXOIKVCSI-ZWKOTPCHSA-N 1 3 347.478 2.496 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC001491124849 1299609748 /nfs/dbraw/zinc/60/97/48/1299609748.db2.gz BQPSSNXOIKVCSI-ZWKOTPCHSA-N 1 3 347.478 2.496 10 0 EEAEHO CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[C@H](CNCCF)C1CC1 ZINC001277655150 1304108710 /nfs/dbraw/zinc/10/87/10/1304108710.db2.gz KKBBDNLJEHTUAB-IAGOWNOFSA-N 1 3 325.472 2.190 10 0 EEAEHO CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)[C@H](CNCCF)C1CC1 ZINC001277655150 1304108714 /nfs/dbraw/zinc/10/87/14/1304108714.db2.gz KKBBDNLJEHTUAB-IAGOWNOFSA-N 1 3 325.472 2.190 10 0 EEAEHO CCc1ccccc1CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001277822876 1304669091 /nfs/dbraw/zinc/66/90/91/1304669091.db2.gz GVTPXXHKJZVSHO-UXHICEINSA-N 1 3 343.515 2.466 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@H](C[NH2+]C/C=C/Cl)C2CCCC2)C1 ZINC001278273793 1308944942 /nfs/dbraw/zinc/94/49/42/1308944942.db2.gz ABXUWWFXGMKDTC-YIWFVGIGSA-N 1 3 327.900 2.345 10 0 EEAEHO Cc1cccnc1CN[C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001278315732 1309359486 /nfs/dbraw/zinc/35/94/86/1309359486.db2.gz MMNYEVMLIDZRPV-SJORKVTESA-N 1 3 332.492 2.201 10 0 EEAEHO C[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCF)C1)N1CCCCCC1 ZINC001264481364 1322708363 /nfs/dbraw/zinc/70/83/63/1322708363.db2.gz SIHYSTZRESKLDG-IXDOHACOSA-N 1 3 327.488 2.485 10 0 EEAEHO CC(C)[C@@H](C(=O)NCCC[N@H+](C)C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001265956238 1323518724 /nfs/dbraw/zinc/51/87/24/1323518724.db2.gz GNNQSPWLCODEIE-CABCVRRESA-N 1 3 333.467 2.446 10 0 EEAEHO CC(C)[C@@H](C(=O)NCCC[N@@H+](C)C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001265956238 1323518729 /nfs/dbraw/zinc/51/87/29/1323518729.db2.gz GNNQSPWLCODEIE-CABCVRRESA-N 1 3 333.467 2.446 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC001265963704 1323524800 /nfs/dbraw/zinc/52/48/00/1323524800.db2.gz JVLRPZJIUWEQQH-OALUTQOASA-N 1 3 329.488 2.070 10 0 EEAEHO CCOCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001266120411 1323691575 /nfs/dbraw/zinc/69/15/75/1323691575.db2.gz YMLNGMQRVORNOZ-QZTJIDSGSA-N 1 3 339.524 2.210 10 0 EEAEHO CCOCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001266120411 1323691583 /nfs/dbraw/zinc/69/15/83/1323691583.db2.gz YMLNGMQRVORNOZ-QZTJIDSGSA-N 1 3 339.524 2.210 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001280207111 1324115043 /nfs/dbraw/zinc/11/50/43/1324115043.db2.gz FSPIUVPNEGYJBZ-CQSZACIVSA-N 1 3 330.407 2.120 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCCc2ccccc2)[C@@H](C)C1 ZINC001281476073 1325146613 /nfs/dbraw/zinc/14/66/13/1325146613.db2.gz PAHSZRZMWJXCNS-HKUYNNGSSA-N 1 3 331.504 2.396 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCc2cccc(F)c2)C1)N(C)C ZINC001491765613 1330247321 /nfs/dbraw/zinc/24/73/21/1330247321.db2.gz IOAUZBKTYKUFQD-ROUUACIJSA-N 1 3 335.467 2.289 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001491854917 1330275287 /nfs/dbraw/zinc/27/52/87/1330275287.db2.gz AMNNNGBJAGGRFB-ZIAGYGMSSA-N 1 3 335.414 2.251 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCOCC2CCC2)C1)N(C)C ZINC001491951830 1330343703 /nfs/dbraw/zinc/34/37/03/1330343703.db2.gz MTJUYEOULVAAIC-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCOCC2CCC2)C1)N(C)C ZINC001491951830 1330343706 /nfs/dbraw/zinc/34/37/06/1330343706.db2.gz MTJUYEOULVAAIC-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1nc(C[NH2+][C@H](C)CCNC(=O)CN2CC[C@@H](C)C2)sc1C ZINC001492082652 1330991069 /nfs/dbraw/zinc/99/10/69/1330991069.db2.gz FNEUMQZLUMBWEL-CHWSQXEVSA-N 1 3 338.521 2.086 10 0 EEAEHO C[C@@H](F)CC[N@H+](C)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001316851140 1331445926 /nfs/dbraw/zinc/44/59/26/1331445926.db2.gz QDGPPVLJUACVFZ-RHSMWYFYSA-N 1 3 333.467 2.385 10 0 EEAEHO C[C@@H](F)CC[N@@H+](C)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001316851140 1331445928 /nfs/dbraw/zinc/44/59/28/1331445928.db2.gz QDGPPVLJUACVFZ-RHSMWYFYSA-N 1 3 333.467 2.385 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2cccc(Cl)n2)C1 ZINC001317090857 1332075376 /nfs/dbraw/zinc/07/53/76/1332075376.db2.gz HFQGVCONIGPPMQ-SHTZXODSSA-N 1 3 338.883 2.204 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2cccc(Cl)n2)C1 ZINC001317090857 1332075377 /nfs/dbraw/zinc/07/53/77/1332075377.db2.gz HFQGVCONIGPPMQ-SHTZXODSSA-N 1 3 338.883 2.204 10 0 EEAEHO CCOCCCN1CCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001317174037 1332113400 /nfs/dbraw/zinc/11/34/00/1332113400.db2.gz QAYDLHLRDOHXIZ-QGZVFWFLSA-N 1 3 337.508 2.012 10 0 EEAEHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCOc1ccccc1 ZINC001317241372 1332148891 /nfs/dbraw/zinc/14/88/91/1332148891.db2.gz LYZWWTPKXQFSBC-QGZVFWFLSA-N 1 3 347.503 2.424 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H](C[NH2+]C/C=C/Cl)C2)C1 ZINC001317339117 1332185310 /nfs/dbraw/zinc/18/53/10/1332185310.db2.gz QIZFPHWKJSTTHP-GKXYRXCGSA-N 1 3 345.890 2.390 10 0 EEAEHO Cc1ncoc1CN(CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001317687221 1332373793 /nfs/dbraw/zinc/37/37/93/1332373793.db2.gz WSHDIPYIAVVTPT-KRWDZBQOSA-N 1 3 348.491 2.042 10 0 EEAEHO COCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001317985199 1332457568 /nfs/dbraw/zinc/45/75/68/1332457568.db2.gz QQNWHCMOVLIPLX-MSOLQXFVSA-N 1 3 339.524 2.258 10 0 EEAEHO COCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001317985199 1332457571 /nfs/dbraw/zinc/45/75/71/1332457571.db2.gz QQNWHCMOVLIPLX-MSOLQXFVSA-N 1 3 339.524 2.258 10 0 EEAEHO CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2ncccc2C)CC1)N(C)C ZINC001318915231 1332622960 /nfs/dbraw/zinc/62/29/60/1332622960.db2.gz OKMSWDMYXPHOCB-IBGZPJMESA-N 1 3 346.519 2.449 10 0 EEAEHO CCN(CC[NH2+]C[C@H]1CC[C@H](C)O1)C(=O)c1cccc(CN(C)C)c1 ZINC001320928423 1332981000 /nfs/dbraw/zinc/98/10/00/1332981000.db2.gz KGSMYYJZJIDGFW-QFBILLFUSA-N 1 3 347.503 2.367 10 0 EEAEHO Cc1cc(C)cc(OCC[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)c1 ZINC001320997756 1332993989 /nfs/dbraw/zinc/99/39/89/1332993989.db2.gz KWKSKIXEXSVVMT-PHWHVTFISA-N 1 3 345.487 2.038 10 0 EEAEHO C[C@H](NC/C=C\CNC(=O)C12CC[NH+](CC1)C2)c1ccc(F)cc1 ZINC001321338355 1333078144 /nfs/dbraw/zinc/07/81/44/1333078144.db2.gz RGPCNLAZDSQCBU-GWQWAINWSA-N 1 3 331.435 2.245 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1cccc(Cl)n1)N(C)C ZINC001322553763 1333281708 /nfs/dbraw/zinc/28/17/08/1333281708.db2.gz AIEVQODZYDAQQO-INIZCTEOSA-N 1 3 340.899 2.259 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC2CC(F)(F)C2)C1)N(C)C ZINC001326365121 1334076710 /nfs/dbraw/zinc/07/67/10/1334076710.db2.gz NMGBQZZTIDSWOK-ZFWWWQNUSA-N 1 3 331.451 2.200 10 0 EEAEHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCNCc1nccn1C ZINC001675986432 1357082343 /nfs/dbraw/zinc/08/23/43/1357082343.db2.gz UPFZPNAWVSBXSK-DLBZAZTESA-N 1 3 349.523 2.058 10 0 EEAEHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCCNCc1nccn1C ZINC001675986432 1357082345 /nfs/dbraw/zinc/08/23/45/1357082345.db2.gz UPFZPNAWVSBXSK-DLBZAZTESA-N 1 3 349.523 2.058 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)CC(C)(C)C[NH2+]CCC(F)(F)F ZINC001329358903 1334633804 /nfs/dbraw/zinc/63/38/04/1334633804.db2.gz UEZPFDYBJBWMAU-UHFFFAOYSA-N 1 3 325.419 2.353 10 0 EEAEHO CCCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001330432128 1334843580 /nfs/dbraw/zinc/84/35/80/1334843580.db2.gz VZQFMQRDZNPNPX-IRXDYDNUSA-N 1 3 341.540 2.360 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)cc1 ZINC001331942643 1335682725 /nfs/dbraw/zinc/68/27/25/1335682725.db2.gz DFXGUOUOYAGYDV-MJGOQNOKSA-N 1 3 347.503 2.293 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@]2(C)CC[N@H+](CC3CC3)C2)C1 ZINC001500258398 1342116574 /nfs/dbraw/zinc/11/65/74/1342116574.db2.gz SFRMASUULXFGSX-QZTJIDSGSA-N 1 3 325.472 2.190 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@]2(C)CC[N@@H+](CC3CC3)C2)C1 ZINC001500258398 1342116575 /nfs/dbraw/zinc/11/65/75/1342116575.db2.gz SFRMASUULXFGSX-QZTJIDSGSA-N 1 3 325.472 2.190 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001570022194 1343002058 /nfs/dbraw/zinc/00/20/58/1343002058.db2.gz PJMRFBJAGVHYBI-INIZCTEOSA-N 1 3 335.467 2.494 10 0 EEAEHO CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001570183323 1343028991 /nfs/dbraw/zinc/02/89/91/1343028991.db2.gz IHYNMSHEQOSYSF-ROUUACIJSA-N 1 3 339.524 2.257 10 0 EEAEHO CCOCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001570183323 1343028997 /nfs/dbraw/zinc/02/89/97/1343028997.db2.gz IHYNMSHEQOSYSF-ROUUACIJSA-N 1 3 339.524 2.257 10 0 EEAEHO CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001570183324 1343029063 /nfs/dbraw/zinc/02/90/63/1343029063.db2.gz IHYNMSHEQOSYSF-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO CCOCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001570183324 1343029065 /nfs/dbraw/zinc/02/90/65/1343029065.db2.gz IHYNMSHEQOSYSF-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO COCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CC1(C)C ZINC001677028563 1357265525 /nfs/dbraw/zinc/26/55/25/1357265525.db2.gz PSCNNUINBWZSAH-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCc1cccc(Cl)n1 ZINC001649465468 1353520227 /nfs/dbraw/zinc/52/02/27/1353520227.db2.gz XRJDBYMVJDVTDC-ZFWWWQNUSA-N 1 3 338.883 2.013 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCOc2cc(C)ccc2C)C1)N(C)C ZINC001661496324 1354645811 /nfs/dbraw/zinc/64/58/11/1354645811.db2.gz UAWPUBPUWAROKT-BZSNNMDCSA-N 1 3 347.503 2.259 10 0 EEAEHO CC(C)OCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001663493084 1354971057 /nfs/dbraw/zinc/97/10/57/1354971057.db2.gz LLRSYRCXRGGIQB-QZTJIDSGSA-N 1 3 339.524 2.255 10 0 EEAEHO CC(C)OCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001663493084 1354971060 /nfs/dbraw/zinc/97/10/60/1354971060.db2.gz LLRSYRCXRGGIQB-QZTJIDSGSA-N 1 3 339.524 2.255 10 0 EEAEHO Cc1ncc(CNCC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)o1 ZINC001668116925 1355875185 /nfs/dbraw/zinc/87/51/85/1355875185.db2.gz BNVZZDSOHIYKHX-PBHICJAKSA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1ncc(CNCC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)o1 ZINC001668116925 1355875189 /nfs/dbraw/zinc/87/51/89/1355875189.db2.gz BNVZZDSOHIYKHX-PBHICJAKSA-N 1 3 336.480 2.088 10 0 EEAEHO COc1ccc(C[NH2+]C/C=C\CNC(=O)C2(N(C)C)CCC2)cc1F ZINC001668865494 1356028890 /nfs/dbraw/zinc/02/88/90/1356028890.db2.gz YQFTXQQFBQWHLF-PLNGDYQASA-N 1 3 349.450 2.081 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C\CNCc2cccnc2C)C1 ZINC001668995024 1356062928 /nfs/dbraw/zinc/06/29/28/1356062928.db2.gz GIHAUBXPCNGEKV-PHWHVTFISA-N 1 3 344.503 2.274 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)NC/C=C\CNCc2cccnc2C)C1 ZINC001668995024 1356062932 /nfs/dbraw/zinc/06/29/32/1356062932.db2.gz GIHAUBXPCNGEKV-PHWHVTFISA-N 1 3 344.503 2.274 10 0 EEAEHO CC[C@H](C(=O)N1CCC(CC[NH2+]C[C@@H]2CCCCO2)CC1)N(C)C ZINC001698700790 1405018482 /nfs/dbraw/zinc/01/84/82/1405018482.db2.gz AWIHKQPYWMCQES-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H](C[NH2+]CC[C@H]1CCCO1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001698861298 1405117029 /nfs/dbraw/zinc/11/70/29/1405117029.db2.gz OQODLFCITZKFLX-QFBILLFUSA-N 1 3 347.503 2.367 10 0 EEAEHO Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)c(C)n1 ZINC001699136117 1405285420 /nfs/dbraw/zinc/28/54/20/1405285420.db2.gz ROCCXPASAKBIHB-GDBMZVCRSA-N 1 3 332.492 2.025 10 0 EEAEHO C[NH+](C)[C@@H]1C[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)C12CCC2 ZINC000912603161 788261824 /nfs/dbraw/zinc/26/18/24/788261824.db2.gz YEDCMYNSEQMTGM-DLBZAZTESA-N 1 3 349.519 2.011 10 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/nfs/dbraw/zinc/49/07/34/794490734.db2.gz IORNBVHNLDWTMQ-KFWWJZLASA-N 1 3 336.505 2.277 10 0 EEAEHO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716726369 796448299 /nfs/dbraw/zinc/44/82/99/796448299.db2.gz DEGDMOOEHCELJE-GBBGEASQSA-N 1 3 327.472 2.296 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@H](C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC001566225072 1125591610 /nfs/dbraw/zinc/59/16/10/1125591610.db2.gz IBLDYBTTZKJOCJ-KURKYZTESA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)[N@H+]1CCC[C@H](C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC001566225072 1125591617 /nfs/dbraw/zinc/59/16/17/1125591617.db2.gz IBLDYBTTZKJOCJ-KURKYZTESA-N 1 3 339.524 2.112 10 0 EEAEHO CC[N@H+](CCCNC(=O)CN1CCCC1)Cc1sc(C)nc1C ZINC001566575212 1125756651 /nfs/dbraw/zinc/75/66/51/1125756651.db2.gz ZIOYMXGNZGIRIO-UHFFFAOYSA-N 1 3 338.521 2.184 10 0 EEAEHO CC[N@@H+](CCCNC(=O)CN1CCCC1)Cc1sc(C)nc1C ZINC001566575212 1125756659 /nfs/dbraw/zinc/75/66/59/1125756659.db2.gz ZIOYMXGNZGIRIO-UHFFFAOYSA-N 1 3 338.521 2.184 10 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QDWOPOFJUTWLGU-YESZJQIVSA-N 1 3 347.507 2.062 10 0 EEAEHO CCC1([NH2+]CC[C@@H](C)F)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001440531030 1093790089 /nfs/dbraw/zinc/79/00/89/1093790089.db2.gz MEFJTKXCYVPQHC-JKSUJKDBSA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1ncccc1CN[C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001448777349 1093856424 /nfs/dbraw/zinc/85/64/24/1093856424.db2.gz OHISNOJBBXGOFA-APWZRJJASA-N 1 3 346.519 2.447 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccnc3)[C@@H]2C1 ZINC001449031604 1094041357 /nfs/dbraw/zinc/04/13/57/1094041357.db2.gz FBHVRFQSKQHDKE-IPMKNSEASA-N 1 3 344.503 2.139 10 0 EEAEHO Cc1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)C4(N(C)C)CCC4)[C@@H]3C2)cs1 ZINC001441313962 1094768914 /nfs/dbraw/zinc/76/89/14/1094768914.db2.gz RTYDHRRDCCOPIV-OSYLJGHBSA-N 1 3 347.528 2.335 10 0 EEAEHO Cc1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)C4(N(C)C)CCC4)[C@@H]3C2)cs1 ZINC001441313962 1094768918 /nfs/dbraw/zinc/76/89/18/1094768918.db2.gz RTYDHRRDCCOPIV-OSYLJGHBSA-N 1 3 347.528 2.335 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ocnc3C)C[C@@H]2C1 ZINC001441331919 1094797203 /nfs/dbraw/zinc/79/72/03/1094797203.db2.gz BMYLVKAXUMESKR-IXDOHACOSA-N 1 3 348.491 2.042 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@@H]2C1 ZINC001441331919 1094797212 /nfs/dbraw/zinc/79/72/12/1094797212.db2.gz BMYLVKAXUMESKR-IXDOHACOSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1nn(C(C)C)cc1CN[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001441862782 1095965808 /nfs/dbraw/zinc/96/58/08/1095965808.db2.gz WLVJQPGRZNSCJT-MAUKXSAKSA-N 1 3 349.523 2.240 10 0 EEAEHO Cc1nn(C(C)C)cc1CN[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001441862782 1095965817 /nfs/dbraw/zinc/96/58/17/1095965817.db2.gz WLVJQPGRZNSCJT-MAUKXSAKSA-N 1 3 349.523 2.240 10 0 EEAEHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1cnn(C(C)(C)C)c1 ZINC001441872418 1095988819 /nfs/dbraw/zinc/98/88/19/1095988819.db2.gz VTMZODCWEZMXFV-DOTOQJQBSA-N 1 3 349.523 2.107 10 0 EEAEHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1cnn(C(C)(C)C)c1 ZINC001441872418 1095988827 /nfs/dbraw/zinc/98/88/27/1095988827.db2.gz VTMZODCWEZMXFV-DOTOQJQBSA-N 1 3 349.523 2.107 10 0 EEAEHO CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC(NCc2ccccn2)C1 ZINC001442232268 1096532593 /nfs/dbraw/zinc/53/25/93/1096532593.db2.gz KETGNDQEHBOXCJ-LXPRWKDFSA-N 1 3 330.476 2.035 10 0 EEAEHO CN(C(=O)CC[C@H]1CCC[N@H+]1C)C1CC(NCc2ccccn2)C1 ZINC001442232268 1096532599 /nfs/dbraw/zinc/53/25/99/1096532599.db2.gz KETGNDQEHBOXCJ-LXPRWKDFSA-N 1 3 330.476 2.035 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC2(C3CC[NH+](CCC4CC4)CC3)CC2)C1 ZINC001442279256 1096590030 /nfs/dbraw/zinc/59/00/30/1096590030.db2.gz NKFLEAUJMYXXNJ-INIZCTEOSA-N 1 3 333.520 2.489 10 0 EEAEHO CC[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCC1CC1 ZINC001443990666 1098506791 /nfs/dbraw/zinc/50/67/91/1098506791.db2.gz VGOYDGDSLAYJAJ-YJBOKZPZSA-N 1 3 327.488 2.483 10 0 EEAEHO C[C@@H]1CCCC[C@]1(CNCc1ccns1)NC(=O)CC[NH+](C)C ZINC001444149170 1098690290 /nfs/dbraw/zinc/69/02/90/1098690290.db2.gz ASYBSOOYQQCZBI-RHSMWYFYSA-N 1 3 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ZINC001497196295 1102109013 /nfs/dbraw/zinc/10/90/13/1102109013.db2.gz VDNPGXCQUYJQHK-YWPYICTPSA-N 1 3 338.521 2.085 10 0 EEAEHO Cc1nc(CNCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)s1 ZINC001497196295 1102109017 /nfs/dbraw/zinc/10/90/17/1102109017.db2.gz VDNPGXCQUYJQHK-YWPYICTPSA-N 1 3 338.521 2.085 10 0 EEAEHO C[C@H](CCNCc1cc(C2CC2)no1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497256287 1102203088 /nfs/dbraw/zinc/20/30/88/1102203088.db2.gz PZHLNVJJQACLPA-YCPHGPKFSA-N 1 3 348.491 2.267 10 0 EEAEHO C[C@H](CCNCc1cc(C2CC2)no1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001497256287 1102203099 /nfs/dbraw/zinc/20/30/99/1102203099.db2.gz PZHLNVJJQACLPA-YCPHGPKFSA-N 1 3 348.491 2.267 10 0 EEAEHO CN(CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)Cc1ccccn1 ZINC001447338803 1102478396 /nfs/dbraw/zinc/47/83/96/1102478396.db2.gz CXPRWFAVHQTLIP-RBUKOAKNSA-N 1 3 344.503 2.379 10 0 EEAEHO CN(CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)Cc1ccccn1 ZINC001447338803 1102478400 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347.478 2.342 10 0 EEAEHO O=C(NC/C=C/CNCc1ccc(CF)cc1)C12CC[NH+](CC1)C2 ZINC001497727574 1102975176 /nfs/dbraw/zinc/97/51/76/1102975176.db2.gz OGXRIHPVIPSUDN-OWOJBTEDSA-N 1 3 331.435 2.014 10 0 EEAEHO Cc1nccnc1CN[C@@H](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001447675513 1103098548 /nfs/dbraw/zinc/09/85/48/1103098548.db2.gz PFUJRGRTWROKAI-DOTOQJQBSA-N 1 3 347.507 2.034 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCc1ccccc1F ZINC001447923789 1103608249 /nfs/dbraw/zinc/60/82/49/1103608249.db2.gz RCGXYTQAEMYVLW-OLZOCXBDSA-N 1 3 332.423 2.125 10 0 EEAEHO CC(C)OCCN1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001448340879 1104427901 /nfs/dbraw/zinc/42/79/01/1104427901.db2.gz LIMPBIULDXNIQG-WMZOPIPTSA-N 1 3 339.524 2.111 10 0 EEAEHO CC(C)OCCN1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001448340879 1104427904 /nfs/dbraw/zinc/42/79/04/1104427904.db2.gz LIMPBIULDXNIQG-WMZOPIPTSA-N 1 3 339.524 2.111 10 0 EEAEHO COc1ccc(C)cc1C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001480680324 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EEAEHO Cc1ncoc1CNCCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001498621229 1107827211 /nfs/dbraw/zinc/82/72/11/1107827211.db2.gz LMFXQYSVONEZGR-MRXNPFEDSA-N 1 3 336.480 2.186 10 0 EEAEHO CCOCCC[NH2+][C@@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001493828962 1108711274 /nfs/dbraw/zinc/71/12/74/1108711274.db2.gz BYLCJXQWPIPXEP-INIZCTEOSA-N 1 3 339.524 2.114 10 0 EEAEHO COCC[NH2+][C@H](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001493849787 1108733173 /nfs/dbraw/zinc/73/31/73/1108733173.db2.gz KGHBFKGZKAVZDI-MRXNPFEDSA-N 1 3 347.503 2.225 10 0 EEAEHO COC(=O)C1=C(C)O[C@H](C[N@@H+]2C[C@@]34CN(C)C[C@]3(C2)CCCC4)C1 ZINC001460976529 1110331046 /nfs/dbraw/zinc/33/10/46/1110331046.db2.gz PHYMOCYHZQJJIU-ZYSHUDEJSA-N 1 3 334.460 2.030 10 0 EEAEHO COC(=O)C1=C(C)O[C@H](C[N@H+]2C[C@@]34CN(C)C[C@]3(C2)CCCC4)C1 ZINC001460976529 1110331047 /nfs/dbraw/zinc/33/10/47/1110331047.db2.gz PHYMOCYHZQJJIU-ZYSHUDEJSA-N 1 3 334.460 2.030 10 0 EEAEHO C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001479322638 1110681357 /nfs/dbraw/zinc/68/13/57/1110681357.db2.gz XWCFGZNITBOLIG-AFIMGQEJSA-N 1 3 345.478 2.431 10 0 EEAEHO CCc1nocc1CN[C@H]1C[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001479417090 1110694285 /nfs/dbraw/zinc/69/42/85/1110694285.db2.gz QSHIFIYYBZQEMN-JKQORVJESA-N 1 3 348.491 2.094 10 0 EEAEHO C[C@H](NC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC001499421661 1112278916 /nfs/dbraw/zinc/27/89/16/1112278916.db2.gz OYVLESROSUVDST-GJZGRUSLSA-N 1 3 333.451 2.467 10 0 EEAEHO C[C@H](NC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC001499421661 1112278920 /nfs/dbraw/zinc/27/89/20/1112278920.db2.gz OYVLESROSUVDST-GJZGRUSLSA-N 1 3 333.451 2.467 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(NCc2cncc(F)c2)CCC1 ZINC001501959987 1113537687 /nfs/dbraw/zinc/53/76/87/1113537687.db2.gz FEJHXTCUPWVUBJ-QGZVFWFLSA-N 1 3 348.466 2.224 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(NCc2cncc(F)c2)CCC1 ZINC001501959987 1113537690 /nfs/dbraw/zinc/53/76/90/1113537690.db2.gz 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CCC[N@@H+](C)CCC(=O)N1C[C@H](NCc2cc(C)ns2)C[C@H]1C ZINC001507327085 1115194820 /nfs/dbraw/zinc/19/48/20/1115194820.db2.gz HVMXGNYMGQDONV-HUUCEWRRSA-N 1 3 338.521 2.262 10 0 EEAEHO CC(C)OCC[NH2+]CC1(NC(=O)[C@@H]2CCCN2C(C)C)CCCC1 ZINC001567998751 1124223162 /nfs/dbraw/zinc/22/31/62/1124223162.db2.gz YNDLTWHSOXBQGW-KRWDZBQOSA-N 1 3 339.524 2.303 10 0 EEAEHO CC(C)OCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001568379322 1124448518 /nfs/dbraw/zinc/44/85/18/1124448518.db2.gz PNTKVTPHGYVEDD-ROUUACIJSA-N 1 3 339.524 2.257 10 0 EEAEHO CC1CCN(CC(=O)N2CCCC[C@H]2CC[NH2+]CCCF)CC1 ZINC001568396525 1124466823 /nfs/dbraw/zinc/46/68/23/1124466823.db2.gz HENLFJMSXHTVFH-KRWDZBQOSA-N 1 3 327.488 2.439 10 0 EEAEHO Cc1cnc([C@H](C)NCCCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC001569202081 1125161465 /nfs/dbraw/zinc/16/14/65/1125161465.db2.gz UIYBZGXOMMAGCC-WMZOPIPTSA-N 1 3 347.507 2.157 10 0 EEAEHO Cc1cnc([C@H](C)NCCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC001569202081 1125161469 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CCC(CC)[C@H](CNC(=O)NCCNc1ccncc1)[NH+]1CCCC1 ZINC000356307892 465304169 /nfs/dbraw/zinc/30/41/69/465304169.db2.gz WEXBFKUVAAXDLP-SFHVURJKSA-N 1 3 347.507 2.115 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)N(C)C)cc1 ZINC000113605588 462606548 /nfs/dbraw/zinc/60/65/48/462606548.db2.gz LSNALJRMZLWEQD-UHOSZYNNSA-N 1 3 344.503 2.476 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)N(C)C)cc1 ZINC000113605588 462606552 /nfs/dbraw/zinc/60/65/52/462606552.db2.gz LSNALJRMZLWEQD-UHOSZYNNSA-N 1 3 344.503 2.476 10 0 EEAEHO C[NH+]1CCC(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000154846214 462814516 /nfs/dbraw/zinc/81/45/16/462814516.db2.gz FLMZBCFWERYYBI-FQEVSTJZSA-N 1 3 329.488 2.499 10 0 EEAEHO CN(C)C[C@@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000105093984 463437252 /nfs/dbraw/zinc/43/72/52/463437252.db2.gz GGUJHSPGUROYJS-GOSISDBHSA-N 1 3 332.492 2.463 10 0 EEAEHO CN(C)C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC000105093984 463437255 /nfs/dbraw/zinc/43/72/55/463437255.db2.gz GGUJHSPGUROYJS-GOSISDBHSA-N 1 3 332.492 2.463 10 0 EEAEHO CC[NH+](CC)CCOc1ccccc1CNC(=O)CN1CC[C@@H](C)C1 ZINC000553327853 468361745 /nfs/dbraw/zinc/36/17/45/468361745.db2.gz UHMRCSNFAACLFR-QGZVFWFLSA-N 1 3 347.503 2.365 10 0 EEAEHO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000170829737 463715966 /nfs/dbraw/zinc/71/59/66/463715966.db2.gz SUSWMPCOESCJHC-QZTJIDSGSA-N 1 3 330.476 2.169 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000170863058 463725151 /nfs/dbraw/zinc/72/51/51/463725151.db2.gz HTNSYADWAHPWSN-QZTJIDSGSA-N 1 3 332.492 2.197 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276936726 463812203 /nfs/dbraw/zinc/81/22/03/463812203.db2.gz YVNAXLRAPQZIAR-UHFFFAOYSA-N 1 3 347.503 2.479 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000179194295 464078720 /nfs/dbraw/zinc/07/87/20/464078720.db2.gz CTKQBRVUXNQROU-IWKCEXAMSA-N 1 3 342.487 2.356 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000179194295 464078724 /nfs/dbraw/zinc/07/87/24/464078724.db2.gz CTKQBRVUXNQROU-IWKCEXAMSA-N 1 3 342.487 2.356 10 0 EEAEHO Cn1nccc1-c1ccccc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000353326880 465800241 /nfs/dbraw/zinc/80/02/41/465800241.db2.gz AADAGQKUPGOEDB-UHFFFAOYSA-N 1 3 341.503 2.203 10 0 EEAEHO CN(C(=O)NCCC[N@H+](C)Cc1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000349740990 466215293 /nfs/dbraw/zinc/21/52/93/466215293.db2.gz BQCWKAXIPGLQCM-IBGZPJMESA-N 1 3 344.503 2.387 10 0 EEAEHO CN(C(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000349740990 466215298 /nfs/dbraw/zinc/21/52/98/466215298.db2.gz BQCWKAXIPGLQCM-IBGZPJMESA-N 1 3 344.503 2.387 10 0 EEAEHO C[NH2+]CCC1CCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000417195673 466799110 /nfs/dbraw/zinc/79/91/10/466799110.db2.gz OEUOHPOQXIQKHY-IBGZPJMESA-N 1 3 346.519 2.190 10 0 EEAEHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417323294 466834569 /nfs/dbraw/zinc/83/45/69/466834569.db2.gz GUCSBLIFPWHKOJ-QZTJIDSGSA-N 1 3 346.519 2.320 10 0 EEAEHO C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417539502 466878781 /nfs/dbraw/zinc/87/87/81/466878781.db2.gz VLRVBKIRBVVIJE-IRXDYDNUSA-N 1 3 336.524 2.425 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCC[C@@H](F)C3)CC2)CC1 ZINC000424620931 467077207 /nfs/dbraw/zinc/07/72/07/467077207.db2.gz ADETVCMYIMHFLU-LSDHHAIUSA-N 1 3 325.472 2.190 10 0 EEAEHO CN(C(=O)NC1CCC([NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418379979 467101960 /nfs/dbraw/zinc/10/19/60/467101960.db2.gz DTIRDKYQOUBRQN-DAWZGUTISA-N 1 3 330.476 2.172 10 0 EEAEHO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000383343441 467380715 /nfs/dbraw/zinc/38/07/15/467380715.db2.gz LOEPUUHUEKRCCL-CEXWTWQISA-N 1 3 329.488 2.390 10 0 EEAEHO CN1CCCN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000430208350 467408902 /nfs/dbraw/zinc/40/89/02/467408902.db2.gz UQWWWAPZZUKQEA-FQEVSTJZSA-N 1 3 344.503 2.388 10 0 EEAEHO CN1CCCN(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000430208350 467408907 /nfs/dbraw/zinc/40/89/07/467408907.db2.gz UQWWWAPZZUKQEA-FQEVSTJZSA-N 1 3 344.503 2.388 10 0 EEAEHO CC(C)C[C@H](N)C[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000415077006 467484001 /nfs/dbraw/zinc/48/40/01/467484001.db2.gz DJUHRRXQMFNLFB-INIZCTEOSA-N 1 3 332.492 2.053 10 0 EEAEHO CC(C)C[C@H]([NH3+])CNC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000415077006 467484004 /nfs/dbraw/zinc/48/40/04/467484004.db2.gz DJUHRRXQMFNLFB-INIZCTEOSA-N 1 3 332.492 2.053 10 0 EEAEHO CN1CCC([NH+]2CCC(NCc3cc4cccnc4o3)CC2)CC1 ZINC000449107425 467618389 /nfs/dbraw/zinc/61/83/89/467618389.db2.gz MLKKCJZCKJLKGM-UHFFFAOYSA-N 1 3 328.460 2.476 10 0 EEAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@]2(O)CCO[C@H]2C)CC1 ZINC000449293402 467628688 /nfs/dbraw/zinc/62/86/88/467628688.db2.gz VGHJBXYGQQBJGW-FUHIMQAGSA-N 1 3 332.488 2.212 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457898558 467726239 /nfs/dbraw/zinc/72/62/39/467726239.db2.gz FXXXLJHNNJRNDB-SFHVURJKSA-N 1 3 346.519 2.333 10 0 EEAEHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000582231411 468509080 /nfs/dbraw/zinc/50/90/80/468509080.db2.gz SMKCFRCBENILGX-CEXWTWQISA-N 1 3 344.503 2.451 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000582478432 468545966 /nfs/dbraw/zinc/54/59/66/468545966.db2.gz ZSXHFMKLNGFJFB-IMFGXOCKSA-N 1 3 344.503 2.338 10 0 EEAEHO CN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CN2CCC1CC2 ZINC000571341371 468774893 /nfs/dbraw/zinc/77/48/93/468774893.db2.gz KWBVNOYQNQXIOL-OALUTQOASA-N 1 3 327.472 2.061 10 0 EEAEHO CN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CN2CCC1CC2 ZINC000571341371 468774895 /nfs/dbraw/zinc/77/48/95/468774895.db2.gz KWBVNOYQNQXIOL-OALUTQOASA-N 1 3 327.472 2.061 10 0 EEAEHO C[C@]1(CNC(=O)N2CCC[C@@H]([NH3+])C2)CCCN1Cc1ccccc1 ZINC000561202147 468875631 /nfs/dbraw/zinc/87/56/31/468875631.db2.gz YEYFFZBIBDVTPA-IEBWSBKVSA-N 1 3 330.476 2.174 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000586866357 469080762 /nfs/dbraw/zinc/08/07/62/469080762.db2.gz XLBSRAXUGUIMEB-MOPGFXCFSA-N 1 3 344.503 2.292 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000586866357 469080769 /nfs/dbraw/zinc/08/07/69/469080769.db2.gz XLBSRAXUGUIMEB-MOPGFXCFSA-N 1 3 344.503 2.292 10 0 EEAEHO CCCN1CCN(c2ccccc2CNC2CC([NH+](C)C)C2)CC1 ZINC000574052818 469253976 /nfs/dbraw/zinc/25/39/76/469253976.db2.gz CXHKOCUKUUGXNB-UHFFFAOYSA-N 1 3 330.520 2.401 10 0 EEAEHO NC1(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CCOCC1 ZINC000629389161 469529339 /nfs/dbraw/zinc/52/93/39/469529339.db2.gz YWBIFNYTZMJVGR-UHFFFAOYSA-N 1 3 337.895 2.402 10 0 EEAEHO [NH3+]C1(CNC2CCN(Cc3ccc(Cl)cc3)CC2)CCOCC1 ZINC000629389161 469529344 /nfs/dbraw/zinc/52/93/44/469529344.db2.gz YWBIFNYTZMJVGR-UHFFFAOYSA-N 1 3 337.895 2.402 10 0 EEAEHO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623477224 469668855 /nfs/dbraw/zinc/66/88/55/469668855.db2.gz CPKNHTGRNHITFV-ZBFHGGJFSA-N 1 3 328.460 2.247 10 0 EEAEHO C[N@@H+]1CC[C@@H](NC[C@@H](Cc2ccccc2Cl)C(N)=O)CC1(C)C ZINC000623486161 469671616 /nfs/dbraw/zinc/67/16/16/469671616.db2.gz PHHQZHZGQGUWRX-HUUCEWRRSA-N 1 3 337.895 2.446 10 0 EEAEHO C[N@H+]1CC[C@@H](NC[C@@H](Cc2ccccc2Cl)C(N)=O)CC1(C)C ZINC000623486161 469671622 /nfs/dbraw/zinc/67/16/22/469671622.db2.gz PHHQZHZGQGUWRX-HUUCEWRRSA-N 1 3 337.895 2.446 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccnc2ccccc21 ZINC000617503575 469701058 /nfs/dbraw/zinc/70/10/58/469701058.db2.gz PEMOZPFNDNWNDG-HNNXBMFYSA-N 1 3 328.460 2.237 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccnc2ccccc21 ZINC000617503575 469701064 /nfs/dbraw/zinc/70/10/64/469701064.db2.gz PEMOZPFNDNWNDG-HNNXBMFYSA-N 1 3 328.460 2.237 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc2c(c1)CCC2 ZINC000617503538 469702335 /nfs/dbraw/zinc/70/23/35/469702335.db2.gz NUQKSCBCZBGZQR-INIZCTEOSA-N 1 3 331.504 2.106 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc2c(c1)CCC2 ZINC000617503538 469702339 /nfs/dbraw/zinc/70/23/39/469702339.db2.gz NUQKSCBCZBGZQR-INIZCTEOSA-N 1 3 331.504 2.106 10 0 EEAEHO Cc1cc2ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cn2c1 ZINC000617507412 469705955 /nfs/dbraw/zinc/70/59/55/469705955.db2.gz VVYUVICBCYRUQK-INIZCTEOSA-N 1 3 330.476 2.250 10 0 EEAEHO Cc1cc2ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cn2c1 ZINC000617507412 469705957 /nfs/dbraw/zinc/70/59/57/469705957.db2.gz VVYUVICBCYRUQK-INIZCTEOSA-N 1 3 330.476 2.250 10 0 EEAEHO C[C@H](CNC(=O)NC[C@H]1CCN1C1CCCCC1)C[NH+]1CCCC1 ZINC000623713051 469740996 /nfs/dbraw/zinc/74/09/96/469740996.db2.gz RHQDJXAHYXCJPM-SJLPKXTDSA-N 1 3 336.524 2.425 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)NC2CCN(CCc3ccccc3)CC2)C[NH2+]1 ZINC000626930926 469759418 /nfs/dbraw/zinc/75/94/18/469759418.db2.gz LNWMLDQJQALZTI-VQIMIIECSA-N 1 3 344.503 2.133 10 0 EEAEHO C[C@@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)N(C)Cc1ccccc1 ZINC000626974467 469773942 /nfs/dbraw/zinc/77/39/42/469773942.db2.gz GRQVYINPHZRVCI-RDJZCZTQSA-N 1 3 330.476 2.091 10 0 EEAEHO CN1CCC[C@@H](CNC(=O)NCCC[NH+](C)C)[C@@H]1c1cccs1 ZINC000608615456 469846054 /nfs/dbraw/zinc/84/60/54/469846054.db2.gz XYQJKRZSYTXSKG-GOEBONIOSA-N 1 3 338.521 2.382 10 0 EEAEHO CN1CCOC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000624177183 469865340 /nfs/dbraw/zinc/86/53/40/469865340.db2.gz ZINWIAHNWSGRGI-DOIPELPJSA-N 1 3 343.515 2.350 10 0 EEAEHO CN1CCOC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000624177183 469865344 /nfs/dbraw/zinc/86/53/44/469865344.db2.gz ZINWIAHNWSGRGI-DOIPELPJSA-N 1 3 343.515 2.350 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[C@H]1CC1(F)F ZINC000621550032 470066544 /nfs/dbraw/zinc/06/65/44/470066544.db2.gz BRJZGHZLQNVKNG-GJZGRUSLSA-N 1 3 346.466 2.089 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[C@H]1CC1(F)F ZINC000621550032 470066548 /nfs/dbraw/zinc/06/65/48/470066548.db2.gz BRJZGHZLQNVKNG-GJZGRUSLSA-N 1 3 346.466 2.089 10 0 EEAEHO C[C@](O)(C[C@@H](O)CNCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000634639696 470272789 /nfs/dbraw/zinc/27/27/89/470272789.db2.gz NRSNOMQYPYOSCC-UXHICEINSA-N 1 3 332.488 2.284 10 0 EEAEHO CC(C)(C)N1CC[C@@H]1CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634649184 470274882 /nfs/dbraw/zinc/27/48/82/470274882.db2.gz ILAOJWSLVKGVGL-QUCCMNQESA-N 1 3 331.504 2.086 10 0 EEAEHO CC(C)(C)N1CC[C@@H]1CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649184 470274884 /nfs/dbraw/zinc/27/48/84/470274884.db2.gz ILAOJWSLVKGVGL-QUCCMNQESA-N 1 3 331.504 2.086 10 0 EEAEHO CN(C)CCOc1cccc(NC(=O)N2CCCCC[C@@H]([NH3+])C2)c1 ZINC000632896978 470284075 /nfs/dbraw/zinc/28/40/75/470284075.db2.gz FZCRZSWGIYLPMZ-OAHLLOKOSA-N 1 3 334.464 2.362 10 0 EEAEHO C[C@@H]1OCC[C@@H]1N(CCO)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648813446 470355406 /nfs/dbraw/zinc/35/54/06/470355406.db2.gz BEYXLVSAHPLECP-PXNSSMCTSA-N 1 3 348.487 2.133 10 0 EEAEHO c1cc(N2CCNCC2)cc(N[C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)[nH+]1 ZINC000635011392 470400554 /nfs/dbraw/zinc/40/05/54/470400554.db2.gz ZQJBAJIHZQRROP-IXDOHACOSA-N 1 3 330.476 2.498 10 0 EEAEHO CN(C(=O)C1(N)Cc2ccccc2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000649267302 470519295 /nfs/dbraw/zinc/51/92/95/470519295.db2.gz LDMPVMPGUSFEOP-HXUWFJFHSA-N 1 3 349.478 2.216 10 0 EEAEHO CN(C(=O)C1([NH3+])Cc2ccccc2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000649267302 470519302 /nfs/dbraw/zinc/51/93/02/470519302.db2.gz LDMPVMPGUSFEOP-HXUWFJFHSA-N 1 3 349.478 2.216 10 0 EEAEHO CN(C(=O)C1(N)Cc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649267302 470519307 /nfs/dbraw/zinc/51/93/07/470519307.db2.gz LDMPVMPGUSFEOP-HXUWFJFHSA-N 1 3 349.478 2.216 10 0 EEAEHO CN(C(=O)C1(N)Cc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649267302 470519310 /nfs/dbraw/zinc/51/93/10/470519310.db2.gz LDMPVMPGUSFEOP-HXUWFJFHSA-N 1 3 349.478 2.216 10 0 EEAEHO CC1(OCC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CNC1 ZINC000649310814 470542265 /nfs/dbraw/zinc/54/22/65/470542265.db2.gz DNKNVUFMJOFWSI-UHFFFAOYSA-N 1 3 345.487 2.057 10 0 EEAEHO FC1(F)C[C@@]12CCN(CCOCC[N@@H+]1CC[C@@]3(CC3(F)F)C1)C2 ZINC000649907697 470740390 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C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCC1(C[NH3+])CC1 ZINC000652164253 471248070 /nfs/dbraw/zinc/24/80/70/471248070.db2.gz ILMIKMCFNSCURE-AEFFLSMTSA-N 1 3 344.503 2.325 10 0 EEAEHO CO[C@@H](CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@@H]1CCOC1 ZINC000660447431 471347089 /nfs/dbraw/zinc/34/70/89/471347089.db2.gz JZIRLBVBBFBEOW-ZRNYENFQSA-N 1 3 330.472 2.102 10 0 EEAEHO CO[C@@H](CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)[C@@H]1CCOC1 ZINC000660447431 471347092 /nfs/dbraw/zinc/34/70/92/471347092.db2.gz JZIRLBVBBFBEOW-ZRNYENFQSA-N 1 3 330.472 2.102 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000663762992 471507148 /nfs/dbraw/zinc/50/71/48/471507148.db2.gz FONNGJPSGFGIMP-QZTJIDSGSA-N 1 3 346.519 2.331 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000663762992 471507153 /nfs/dbraw/zinc/50/71/53/471507153.db2.gz FONNGJPSGFGIMP-QZTJIDSGSA-N 1 3 346.519 2.331 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000659482705 471650595 /nfs/dbraw/zinc/65/05/95/471650595.db2.gz PUNGMXQWTXWQQT-JQHSSLGASA-N 1 3 332.492 2.180 10 0 EEAEHO N[C@@H]1CN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC[C@H]1F ZINC000659490753 471653909 /nfs/dbraw/zinc/65/39/09/471653909.db2.gz FOMHAMRDASRBIA-HZPDHXFCSA-N 1 3 340.487 2.113 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1nc(C(F)(F)F)ns1 ZINC000664197154 471673616 /nfs/dbraw/zinc/67/36/16/471673616.db2.gz ZVDZTLOUXFNEEX-VIFPVBQESA-N 1 3 325.404 2.241 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1nc(C(F)(F)F)ns1 ZINC000664197154 471673619 /nfs/dbraw/zinc/67/36/19/471673619.db2.gz ZVDZTLOUXFNEEX-VIFPVBQESA-N 1 3 325.404 2.241 10 0 EEAEHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000659559660 471677190 /nfs/dbraw/zinc/67/71/90/471677190.db2.gz OMCGVWFLOGZVQC-GOSISDBHSA-N 1 3 344.503 2.074 10 0 EEAEHO OC1([C@H]2CCCCN2C/C=C/C[N@@H+]2CCCC[C@H]2C2(O)CC2)CC1 ZINC000656708161 471814763 /nfs/dbraw/zinc/81/47/63/471814763.db2.gz UQAWPUILNDJZNR-FBLDJFESSA-N 1 3 334.504 2.301 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472125921 /nfs/dbraw/zinc/12/59/21/472125921.db2.gz YDGXETALBURUPB-QFBILLFUSA-N 1 3 347.528 2.232 10 0 EEAEHO Cc1cc(C[NH3+])cc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)c1 ZINC000662579414 472161411 /nfs/dbraw/zinc/16/14/11/472161411.db2.gz UCEQDJNRAJJILN-KBPBESRZSA-N 1 3 346.349 2.376 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1Cc2cccc(F)c2C1 ZINC000665764157 472176454 /nfs/dbraw/zinc/17/64/54/472176454.db2.gz WFGUZUOJJVIITE-AWEZNQCLSA-N 1 3 336.455 2.123 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1Cc2cccc(F)c2C1 ZINC000665764157 472176464 /nfs/dbraw/zinc/17/64/64/472176464.db2.gz WFGUZUOJJVIITE-AWEZNQCLSA-N 1 3 336.455 2.123 10 0 EEAEHO CC(C)([NH3+])c1cc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)on1 ZINC000662683139 472203767 /nfs/dbraw/zinc/20/37/67/472203767.db2.gz OUAGUBONNMOGMD-HNNXBMFYSA-N 1 3 342.443 2.435 10 0 EEAEHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662687178 472206975 /nfs/dbraw/zinc/20/69/75/472206975.db2.gz VKCVPHDRNOWJQX-FXANMCRTSA-N 1 3 329.444 2.207 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000666166297 472332116 /nfs/dbraw/zinc/33/21/16/472332116.db2.gz NPUAVRLYGCSIFK-NSHDSACASA-N 1 3 346.397 2.497 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000666166297 472332120 /nfs/dbraw/zinc/33/21/20/472332120.db2.gz NPUAVRLYGCSIFK-NSHDSACASA-N 1 3 346.397 2.497 10 0 EEAEHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc2oc(=O)n(C)c2c1 ZINC000629545821 485732139 /nfs/dbraw/zinc/73/21/39/485732139.db2.gz CQLKCVWBDKKIFK-NSHDSACASA-N 1 3 326.400 2.144 10 0 EEAEHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000675180183 485920907 /nfs/dbraw/zinc/92/09/07/485920907.db2.gz DVYTYQJEJZBBLO-RBUKOAKNSA-N 1 3 346.519 2.333 10 0 EEAEHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000678363360 486623860 /nfs/dbraw/zinc/62/38/60/486623860.db2.gz XRNPXPPDBQXWBL-IEBWSBKVSA-N 1 3 334.460 2.055 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000073476854 490587653 /nfs/dbraw/zinc/58/76/53/490587653.db2.gz DZFCXNYAUFPORR-GOSISDBHSA-N 1 3 342.487 2.207 10 0 EEAEHO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2F)CCNC3)C1 ZINC000415951594 527812499 /nfs/dbraw/zinc/81/24/99/527812499.db2.gz GDCPCKHMRMWOIW-ZDUSSCGKSA-N 1 3 334.439 2.277 10 0 EEAEHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2F)CCNC3)C1 ZINC000415951594 527812501 /nfs/dbraw/zinc/81/25/01/527812501.db2.gz GDCPCKHMRMWOIW-ZDUSSCGKSA-N 1 3 334.439 2.277 10 0 EEAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](CNc3ccccn3)C2)CC1 ZINC000191503796 529042449 /nfs/dbraw/zinc/04/24/49/529042449.db2.gz VCLYSNZENWAFCF-LJQANCHMSA-N 1 3 345.535 2.232 10 0 EEAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](CNc3ccccn3)C2)CC1 ZINC000191503796 529042455 /nfs/dbraw/zinc/04/24/55/529042455.db2.gz VCLYSNZENWAFCF-LJQANCHMSA-N 1 3 345.535 2.232 10 0 EEAEHO CN(C)Cc1cc(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)ccc1F ZINC000422742648 535991329 /nfs/dbraw/zinc/99/13/29/535991329.db2.gz GSBOYGNENDGQHB-BHIYHBOVSA-N 1 3 335.467 2.134 10 0 EEAEHO Cn1nc2c(c1CN1CC[C@@H](C3CC[NH+](C)CC3)C1)CSCC2 ZINC000894779547 683087817 /nfs/dbraw/zinc/08/78/17/683087817.db2.gz HTKCZTAWVRNVKR-OAHLLOKOSA-N 1 3 334.533 2.373 10 0 EEAEHO COc1ccc([C@@H](NC(C)C)C(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000896109629 684844577 /nfs/dbraw/zinc/84/45/77/684844577.db2.gz KDGVIYGWPZFRLQ-FUHWJXTLSA-N 1 3 333.476 2.287 10 0 EEAEHO CC(C)CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001485645005 1191877662 /nfs/dbraw/zinc/87/76/62/1191877662.db2.gz SYOLEJOCKQVWLD-IRXDYDNUSA-N 1 3 341.540 2.216 10 0 EEAEHO CCCCOCC[N@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001485763673 1191937510 /nfs/dbraw/zinc/93/75/10/1191937510.db2.gz RIOMDUINAVYVQE-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCCOCC[N@@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001485763673 1191937512 /nfs/dbraw/zinc/93/75/12/1191937512.db2.gz RIOMDUINAVYVQE-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO CN(CCNCc1ccc(Cl)s1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001691322099 1177906895 /nfs/dbraw/zinc/90/68/95/1177906895.db2.gz WJIZGMFDHLZTSC-AWEZNQCLSA-N 1 3 341.908 2.291 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001267058716 1178167119 /nfs/dbraw/zinc/16/71/19/1178167119.db2.gz VMXZPCMPLRSZFT-AZUAARDMSA-N 1 3 343.515 2.317 10 0 EEAEHO CC(C)Oc1ccccc1CNCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001691476808 1178911662 /nfs/dbraw/zinc/91/16/62/1178911662.db2.gz RBPJAIPFSLGYQU-KRWDZBQOSA-N 1 3 347.503 2.364 10 0 EEAEHO CC(C)Oc1ccccc1CNCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001691476808 1178911670 /nfs/dbraw/zinc/91/16/70/1178911670.db2.gz RBPJAIPFSLGYQU-KRWDZBQOSA-N 1 3 347.503 2.364 10 0 EEAEHO CN(CCNCc1cc(F)cc(F)c1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001267412263 1178974251 /nfs/dbraw/zinc/97/42/51/1178974251.db2.gz KZFCHIYKFXQVNB-UHFFFAOYSA-N 1 3 339.430 2.387 10 0 EEAEHO Cc1cc(CNCCN(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)sn1 ZINC001267455988 1179039434 /nfs/dbraw/zinc/03/94/34/1179039434.db2.gz JEMOVEIAHAUWCE-GJZGRUSLSA-N 1 3 338.521 2.120 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CCCCCF)CC2)C1 ZINC001267928546 1180777342 /nfs/dbraw/zinc/77/73/42/1180777342.db2.gz BKXITCVNUTYVFH-BRWVUGGUSA-N 1 3 327.488 2.485 10 0 EEAEHO CN(CC[NH2+]CC[C@H]1CCc2ccccc21)C(=O)Cc1c[nH]cn1 ZINC001481285036 1180841207 /nfs/dbraw/zinc/84/12/07/1180841207.db2.gz PUNVOSXPZMEFLD-MRXNPFEDSA-N 1 3 326.444 2.120 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC001481373687 1181152838 /nfs/dbraw/zinc/15/28/38/1181152838.db2.gz BIHORBGJPFDGLR-RBUKOAKNSA-N 1 3 347.503 2.343 10 0 EEAEHO C[C@H](CC[NH2+]Cc1cnc(Cl)s1)NC(=O)CN(C)C1CCC1 ZINC001268374815 1182385316 /nfs/dbraw/zinc/38/53/16/1182385316.db2.gz XIVDGYPQEANVCN-LLVKDONJSA-N 1 3 344.912 2.265 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCOc1ccccc1C)N(C)C ZINC001482058401 1183264118 /nfs/dbraw/zinc/26/41/18/1183264118.db2.gz BVQDPKXDEOEUDT-QZTJIDSGSA-N 1 3 347.503 2.295 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC/C=C/C[NH2+]C/C=C\c2ccccc2)C1 ZINC001268590835 1183394085 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CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccnc(Cl)c1)C(C)C)N(C)C ZINC001482552599 1186666883 /nfs/dbraw/zinc/66/68/83/1186666883.db2.gz IEUFUHJEFHPJGV-CABCVRRESA-N 1 3 340.899 2.306 10 0 EEAEHO CN(CC[N@H+](C)C[C@H]1CCC(F)(F)C1)C(=O)CN(C)C1CCC1 ZINC001482602993 1187348065 /nfs/dbraw/zinc/34/80/65/1187348065.db2.gz PHGPHWXKUZVSIY-AWEZNQCLSA-N 1 3 331.451 2.296 10 0 EEAEHO CN(CC[N@@H+](C)C[C@H]1CCC(F)(F)C1)C(=O)CN(C)C1CCC1 ZINC001482602993 1187348066 /nfs/dbraw/zinc/34/80/66/1187348066.db2.gz PHGPHWXKUZVSIY-AWEZNQCLSA-N 1 3 331.451 2.296 10 0 EEAEHO Cc1cncc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CN(C)C(C)C)c1 ZINC001482698833 1187669033 /nfs/dbraw/zinc/66/90/33/1187669033.db2.gz NPMOUVUFAVHZRU-QZTJIDSGSA-N 1 3 332.492 2.105 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001482970188 1187910823 /nfs/dbraw/zinc/91/08/23/1187910823.db2.gz PAEOXOVVDOSJTB-CALCHBBNSA-N 1 3 332.492 2.201 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001482970188 1187910825 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345.462 2.104 10 0 EEAEHO CN(C)C1(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(F)cc4)C[C@H]32)CCC1 ZINC001410069635 1197538069 /nfs/dbraw/zinc/53/80/69/1197538069.db2.gz MESSXJQRWISEJS-NNZMDNLPSA-N 1 3 345.462 2.104 10 0 EEAEHO CCC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN(Cc3cccc(F)c3)C[C@H]21 ZINC001410127564 1197558704 /nfs/dbraw/zinc/55/87/04/1197558704.db2.gz UNRHODKLDCMTAB-LDLYASANSA-N 1 3 347.478 2.352 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN(Cc3cccc(F)c3)C[C@H]21 ZINC001410127564 1197558707 /nfs/dbraw/zinc/55/87/07/1197558707.db2.gz UNRHODKLDCMTAB-LDLYASANSA-N 1 3 347.478 2.352 10 0 EEAEHO CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)NCc1ccon1 ZINC001410255468 1197640071 /nfs/dbraw/zinc/64/00/71/1197640071.db2.gz WHTFSEHLAQCWDR-IAGOWNOFSA-N 1 3 336.480 2.168 10 0 EEAEHO CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)NCc1ccon1 ZINC001410255468 1197640074 /nfs/dbraw/zinc/64/00/74/1197640074.db2.gz WHTFSEHLAQCWDR-IAGOWNOFSA-N 1 3 336.480 2.168 10 0 EEAEHO 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1206141089 /nfs/dbraw/zinc/14/10/89/1206141089.db2.gz PHBLZCKZKLEXCP-KJWYOANISA-N 1 3 338.442 2.482 10 0 EEAEHO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCN2CCN(C)C(C)(C)C2)n(C)n1 ZINC000926358142 1206215521 /nfs/dbraw/zinc/21/55/21/1206215521.db2.gz VHBSOUBANWJKOJ-PKOBYXMFSA-N 1 3 347.551 2.055 10 0 EEAEHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)CC[C@H](O)c3ccccc3)CC[C@@H]21 ZINC000929848983 1206508692 /nfs/dbraw/zinc/50/86/92/1206508692.db2.gz VKYANMGHEZWZGT-ZRNYENFQSA-N 1 3 332.488 2.277 10 0 EEAEHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)CC[C@H](O)c3ccccc3)CC[C@@H]21 ZINC000929848983 1206508693 /nfs/dbraw/zinc/50/86/93/1206508693.db2.gz VKYANMGHEZWZGT-ZRNYENFQSA-N 1 3 332.488 2.277 10 0 EEAEHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)CC[C@H](O)c3ccccc3)CC[C@@H]21 ZINC000929848983 1206508694 /nfs/dbraw/zinc/50/86/94/1206508694.db2.gz VKYANMGHEZWZGT-ZRNYENFQSA-N 1 3 332.488 2.277 10 0 EEAEHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)CC[C@H](O)c3ccccc3)CC[C@@H]21 ZINC000929848983 1206508695 /nfs/dbraw/zinc/50/86/95/1206508695.db2.gz VKYANMGHEZWZGT-ZRNYENFQSA-N 1 3 332.488 2.277 10 0 EEAEHO Cc1cc(NC(=O)N(C)[C@H]2CCCN(C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000930282981 1206546471 /nfs/dbraw/zinc/54/64/71/1206546471.db2.gz BNUNQDFCCIKVTA-INIZCTEOSA-N 1 3 348.495 2.016 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001490842510 1208464707 /nfs/dbraw/zinc/46/47/07/1208464707.db2.gz SULCIYGJHLJVTD-BVUAFDDQSA-N 1 3 331.863 2.142 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2C[C@@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001491056161 1258625469 /nfs/dbraw/zinc/62/54/69/1258625469.db2.gz UQNBNQDVZXGAQR-DIFAWACHSA-N 1 3 331.863 2.188 10 0 EEAEHO COCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001491121945 1258706541 /nfs/dbraw/zinc/70/65/41/1258706541.db2.gz CUSNIKKUHITXBZ-ZWKOTPCHSA-N 1 3 339.524 2.116 10 0 EEAEHO COCCC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001491121945 1258706546 /nfs/dbraw/zinc/70/65/46/1258706546.db2.gz CUSNIKKUHITXBZ-ZWKOTPCHSA-N 1 3 339.524 2.116 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c[nH]c2cccc(F)c12 ZINC000855346186 1293184625 /nfs/dbraw/zinc/18/46/25/1293184625.db2.gz QVRBEWKEAFVWRM-ZDUSSCGKSA-N 1 3 334.439 2.309 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c[nH]c2cccc(F)c12 ZINC000855346186 1293184628 /nfs/dbraw/zinc/18/46/28/1293184628.db2.gz QVRBEWKEAFVWRM-ZDUSSCGKSA-N 1 3 334.439 2.309 10 0 EEAEHO CCO[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)CN(C)C ZINC000926960115 1296969248 /nfs/dbraw/zinc/96/92/48/1296969248.db2.gz DQCFXOAMWMIYSH-DFQSSKMNSA-N 1 3 333.520 2.453 10 0 EEAEHO CC[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1[NH2+]CCOC ZINC001276774275 1297587850 /nfs/dbraw/zinc/58/78/50/1297587850.db2.gz XOADYRHVVVSVLC-IEBWSBKVSA-N 1 3 347.503 2.225 10 0 EEAEHO CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](CCCCCF)C2)N(C)C ZINC001276869743 1299999537 /nfs/dbraw/zinc/99/95/37/1299999537.db2.gz OLTLWOKQHFZBEN-MRXNPFEDSA-N 1 3 327.488 2.391 10 0 EEAEHO CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CCCCCF)C2)N(C)C ZINC001276869743 1299999539 /nfs/dbraw/zinc/99/95/39/1299999539.db2.gz OLTLWOKQHFZBEN-MRXNPFEDSA-N 1 3 327.488 2.391 10 0 EEAEHO C[C@H](CCC[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)C1(N(C)C)CCC1 ZINC001277210767 1301836822 /nfs/dbraw/zinc/83/68/22/1301836822.db2.gz QFHGHFANXFSUDL-HZPDHXFCSA-N 1 3 339.524 2.160 10 0 EEAEHO COCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001264195288 1322663528 /nfs/dbraw/zinc/66/35/28/1322663528.db2.gz PZVIERRXMQVNSV-DLBZAZTESA-N 1 3 341.540 2.216 10 0 EEAEHO COCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001264195288 1322663532 /nfs/dbraw/zinc/66/35/32/1322663532.db2.gz PZVIERRXMQVNSV-DLBZAZTESA-N 1 3 341.540 2.216 10 0 EEAEHO Cc1cc(CNCC[C@@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)on1 ZINC001264518488 1322722651 /nfs/dbraw/zinc/72/26/51/1322722651.db2.gz SPJUKYJPBVJPRS-RHSMWYFYSA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1cccnc1CN(C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001265046613 1322886784 /nfs/dbraw/zinc/88/67/84/1322886784.db2.gz JWMSNXVNIHYYMG-PKOBYXMFSA-N 1 3 344.503 2.345 10 0 EEAEHO Cc1cccnc1CN(C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001265046613 1322886788 /nfs/dbraw/zinc/88/67/88/1322886788.db2.gz JWMSNXVNIHYYMG-PKOBYXMFSA-N 1 3 344.503 2.345 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001265636212 1323285381 /nfs/dbraw/zinc/28/53/81/1323285381.db2.gz FRVSTXSYJQBBML-PDTSHOSPSA-N 1 3 327.900 2.442 10 0 EEAEHO CC[C@@H](F)CN1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001280394202 1324197302 /nfs/dbraw/zinc/19/73/02/1324197302.db2.gz DVBZQDAWKMTKFG-MRXNPFEDSA-N 1 3 327.488 2.391 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CCCF)C1 ZINC001284735983 1326689133 /nfs/dbraw/zinc/68/91/33/1326689133.db2.gz DXYCDZFUXWLCON-QWHCGFSZSA-N 1 3 341.393 2.055 10 0 EEAEHO CCC[N@H+]1CC=C(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001284957679 1326795026 /nfs/dbraw/zinc/79/50/26/1326795026.db2.gz MVKYSWRKBQRFDV-GOSISDBHSA-N 1 3 325.472 2.357 10 0 EEAEHO CCC[N@@H+]1CC=C(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001284957679 1326795030 /nfs/dbraw/zinc/79/50/30/1326795030.db2.gz MVKYSWRKBQRFDV-GOSISDBHSA-N 1 3 325.472 2.357 10 0 EEAEHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@H]1CCc2c1cc(F)cc2F ZINC001491632909 1330191213 /nfs/dbraw/zinc/19/12/13/1330191213.db2.gz UVYWRPCGGLOJDM-SJCJKPOMSA-N 1 3 339.430 2.388 10 0 EEAEHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@H]1CCc2c1cc(F)cc2F ZINC001491632909 1330191214 /nfs/dbraw/zinc/19/12/14/1330191214.db2.gz UVYWRPCGGLOJDM-SJCJKPOMSA-N 1 3 339.430 2.388 10 0 EEAEHO CN(CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)Cc1cccnc1 ZINC001316854670 1331936767 /nfs/dbraw/zinc/93/67/67/1331936767.db2.gz STXANXZXWAORKM-ZWKOTPCHSA-N 1 3 330.476 2.037 10 0 EEAEHO CN(CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)Cc1cccnc1 ZINC001316854670 1331936770 /nfs/dbraw/zinc/93/67/70/1331936770.db2.gz STXANXZXWAORKM-ZWKOTPCHSA-N 1 3 330.476 2.037 10 0 EEAEHO CN(C)C1(C(=O)N2CCC[C@@H](CC[NH2+]Cc3cccnc3)C2)CCC1 ZINC001318807102 1332602874 /nfs/dbraw/zinc/60/28/74/1332602874.db2.gz YJZRXGRZHGXDKW-KRWDZBQOSA-N 1 3 344.503 2.284 10 0 EEAEHO Cc1ccccc1OCC[NH2+]C[C@@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001319472230 1332707768 /nfs/dbraw/zinc/70/77/68/1332707768.db2.gz HVGFHDHPGYOFEH-QGZVFWFLSA-N 1 3 347.503 2.295 10 0 EEAEHO Cc1ncccc1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001319735500 1332753619 /nfs/dbraw/zinc/75/36/19/1332753619.db2.gz GDUMWEMWGCJPEB-MOPGFXCFSA-N 1 3 344.503 2.345 10 0 EEAEHO C[C@H](CC[NH2+]CC1CCOCC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001320414415 1332877986 /nfs/dbraw/zinc/87/79/86/1332877986.db2.gz HCDBAVSFMHGOKQ-MRXNPFEDSA-N 1 3 339.524 2.162 10 0 EEAEHO C[C@H](NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(F)cc1 ZINC001321067699 1333010442 /nfs/dbraw/zinc/01/04/42/1333010442.db2.gz XMAXEGDRWLOJST-YBHDSAFLSA-N 1 3 333.451 2.489 10 0 EEAEHO C[C@H](NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(F)cc1 ZINC001321067699 1333010445 /nfs/dbraw/zinc/01/04/45/1333010445.db2.gz XMAXEGDRWLOJST-YBHDSAFLSA-N 1 3 333.451 2.489 10 0 EEAEHO CCOCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001324864224 1333776424 /nfs/dbraw/zinc/77/64/24/1333776424.db2.gz HULGAGIFAUAJEG-KRWDZBQOSA-N 1 3 339.524 2.114 10 0 EEAEHO CN1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(F)cn2)C1 ZINC001326302048 1334063219 /nfs/dbraw/zinc/06/32/19/1334063219.db2.gz FPRVESCMSORVMP-MAUKXSAKSA-N 1 3 348.466 2.033 10 0 EEAEHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccc(Cl)nc1 ZINC001331456171 1335016950 /nfs/dbraw/zinc/01/69/50/1335016950.db2.gz SDIIMHPZWPPFNG-GZBFAFLISA-N 1 3 338.883 2.012 10 0 EEAEHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccc(Cl)nc1 ZINC001331456171 1335016953 /nfs/dbraw/zinc/01/69/53/1335016953.db2.gz SDIIMHPZWPPFNG-GZBFAFLISA-N 1 3 338.883 2.012 10 0 EEAEHO CN(CC(=O)NCC1=CC[N@H+](C[C@H]2CC(C)(C)CO2)CC1)C1CCC1 ZINC001333354049 1336017389 /nfs/dbraw/zinc/01/73/89/1336017389.db2.gz BMJVSCHAPBHPSD-GOSISDBHSA-N 1 3 349.519 2.034 10 0 EEAEHO CN(CC(=O)NCC1=CC[N@@H+](C[C@H]2CC(C)(C)CO2)CC1)C1CCC1 ZINC001333354049 1336017394 /nfs/dbraw/zinc/01/73/94/1336017394.db2.gz BMJVSCHAPBHPSD-GOSISDBHSA-N 1 3 349.519 2.034 10 0 EEAEHO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C)n2CCN2CC=CCC2)C1 ZINC001615429134 1352324467 /nfs/dbraw/zinc/32/44/67/1352324467.db2.gz WESVTVLPLHTWTH-SFHVURJKSA-N 1 3 346.523 2.017 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)CN2CC[C@H](C)C2)s1 ZINC001668214857 1355901119 /nfs/dbraw/zinc/90/11/19/1355901119.db2.gz QNPJKUVANOSVIQ-STQMWFEESA-N 1 3 338.521 2.086 10 0 EEAEHO CCc1nocc1CN[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001436359624 1342050508 /nfs/dbraw/zinc/05/05/08/1342050508.db2.gz TUNXDPZNRBUPSM-FZNQNYSPSA-N 1 3 348.491 2.096 10 0 EEAEHO C[NH+](C)CCCC(=O)N1CCC[C@]2(CCN(C/C=C\Cl)C2)C1 ZINC001502546005 1342208664 /nfs/dbraw/zinc/20/86/64/1342208664.db2.gz MCSNAABFMDFNJA-VWTAQGJOSA-N 1 3 327.900 2.395 10 0 EEAEHO COCCCC[NH+]1CCC(N(C)C(=O)CN(C)CC(C)(C)C)CC1 ZINC001566612905 1342579869 /nfs/dbraw/zinc/57/98/69/1342579869.db2.gz MNBLXZYLQZOWNV-UHFFFAOYSA-N 1 3 341.540 2.314 10 0 EEAEHO CCOCC[NH2+]C1(C)CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001570387035 1343063139 /nfs/dbraw/zinc/06/31/39/1343063139.db2.gz BUQVTLLPYHEMHJ-UHFFFAOYSA-N 1 3 347.503 2.369 10 0 EEAEHO COCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001676924853 1357242182 /nfs/dbraw/zinc/24/21/82/1357242182.db2.gz BQMBLPRFIVFAJE-IAGOWNOFSA-N 1 3 339.524 2.162 10 0 EEAEHO CCOCC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001677335358 1357316114 /nfs/dbraw/zinc/31/61/14/1357316114.db2.gz XDXGSOMAHCMSIE-MRXNPFEDSA-N 1 3 339.524 2.114 10 0 EEAEHO COC[C@@](C)(CO)[NH2+]CCCN1CCC(Cc2ccccc2)CC1 ZINC001648007087 1353413328 /nfs/dbraw/zinc/41/33/28/1353413328.db2.gz YTLSIIRUYRFXDX-HXUWFJFHSA-N 1 3 334.504 2.318 10 0 EEAEHO COc1cc(C[N@H+](C)CCCNC(=O)C2(N(C)C)CCC2)ccc1C ZINC001660170652 1354409364 /nfs/dbraw/zinc/40/93/64/1354409364.db2.gz QLAMQQBDZOPHKZ-UHFFFAOYSA-N 1 3 347.503 2.426 10 0 EEAEHO COc1cc(C[N@@H+](C)CCCNC(=O)C2(N(C)C)CCC2)ccc1C ZINC001660170652 1354409366 /nfs/dbraw/zinc/40/93/66/1354409366.db2.gz QLAMQQBDZOPHKZ-UHFFFAOYSA-N 1 3 347.503 2.426 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1sc(C)nc1C ZINC001660628603 1354504622 /nfs/dbraw/zinc/50/46/22/1354504622.db2.gz ZCQVKUKOPISGHL-HNNXBMFYSA-N 1 3 338.521 2.040 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1sc(C)nc1C ZINC001660628603 1354504626 /nfs/dbraw/zinc/50/46/26/1354504626.db2.gz ZCQVKUKOPISGHL-HNNXBMFYSA-N 1 3 338.521 2.040 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCc2ccccc2C)C1 ZINC001661498988 1354646442 /nfs/dbraw/zinc/64/64/42/1354646442.db2.gz QLALKGFTUNWKCV-IYARVYRRSA-N 1 3 340.471 2.439 10 0 EEAEHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]CCCc2ccccc2)C1 ZINC001662723078 1354832215 /nfs/dbraw/zinc/83/22/15/1354832215.db2.gz QFZFDSCIQKQWCY-IBGZPJMESA-N 1 3 329.488 2.153 10 0 EEAEHO CN(C)Cc1cccc(C(=O)N(C)CC[NH2+]C[C@H]2CC(C)(C)CO2)c1 ZINC001664391433 1355152951 /nfs/dbraw/zinc/15/29/51/1355152951.db2.gz MLEFZLLLNPHZRI-GOSISDBHSA-N 1 3 347.503 2.225 10 0 EEAEHO CC[C@@H](C[NH2+]CC[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)OC ZINC001666115261 1355455947 /nfs/dbraw/zinc/45/59/47/1355455947.db2.gz LHMQVWAGEJFLEH-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001666992015 1355628620 /nfs/dbraw/zinc/62/86/20/1355628620.db2.gz JXHWNFQAVZQZPZ-CRAIPNDOSA-N 1 3 345.503 2.060 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2CC[NH2+]Cc2cccnc2)C1 ZINC001667284382 1355698120 /nfs/dbraw/zinc/69/81/20/1355698120.db2.gz KMIVFKUMIQTTNY-HKUYNNGSSA-N 1 3 344.503 2.284 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(F)c1F)N(C)C ZINC001668278626 1355913919 /nfs/dbraw/zinc/91/39/19/1355913919.db2.gz JUQHKYVWUHAERJ-SWLSCSKDSA-N 1 3 327.419 2.289 10 0 EEAEHO O=C(NC/C=C/CNCc1ccnc(Cl)c1)C12CCC[NH+]1CCC2 ZINC001668912522 1356041682 /nfs/dbraw/zinc/04/16/82/1356041682.db2.gz SHCNARWIGAFWDP-OWOJBTEDSA-N 1 3 348.878 2.125 10 0 EEAEHO Cc1ncccc1CNC/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001669074969 1356084818 /nfs/dbraw/zinc/08/48/18/1356084818.db2.gz HPJAYUQBBQIDER-QWNKOJSDSA-N 1 3 344.503 2.417 10 0 EEAEHO C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCCN1C ZINC001698842068 1405103838 /nfs/dbraw/zinc/10/38/38/1405103838.db2.gz QWUWZKDPENMNKO-YOEHRIQHSA-N 1 3 337.895 2.413 10 0 EEAEHO Cc1ncoc1CNCC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001698912676 1405154399 /nfs/dbraw/zinc/15/43/99/1405154399.db2.gz BTQMAKBFFGTEKD-BRWVUGGUSA-N 1 3 348.491 2.184 10 0 EEAEHO Cc1ncoc1CNCC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001698912676 1405154407 /nfs/dbraw/zinc/15/44/07/1405154407.db2.gz BTQMAKBFFGTEKD-BRWVUGGUSA-N 1 3 348.491 2.184 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@@](C)(C[NH2+]CCCF)C2)C1 ZINC001699843704 1405522877 /nfs/dbraw/zinc/52/28/77/1405522877.db2.gz COTFDGGQIMGSCH-ROUUACIJSA-N 1 3 345.478 2.387 10 0 EEAEHO Cc1ccc(N2CCN(C[C@@H]3CC4(C[NH2+]C4)CO3)[C@@H](C)C2)cc1C ZINC000923324378 789383152 /nfs/dbraw/zinc/38/31/52/789383152.db2.gz GJWPPYTVWVNVPK-HKUYNNGSSA-N 1 3 329.488 2.192 10 0 EEAEHO Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CC[C@H](C[NH3+])[C@@H](C)C2)c(C)c1 ZINC000923500930 789685332 /nfs/dbraw/zinc/68/53/32/789685332.db2.gz SBOMFEMPERLZED-HRCADAONSA-N 1 3 346.475 2.257 10 0 EEAEHO COc1ccc([C@H](NC(=O)CN2CC[C@H](C[NH3+])[C@H](C)C2)C(C)C)cc1 ZINC000923501614 789686058 /nfs/dbraw/zinc/68/60/58/789686058.db2.gz UJACSKCVNSNZCA-WRWLIDTKSA-N 1 3 347.503 2.425 10 0 EEAEHO CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000846178732 790080065 /nfs/dbraw/zinc/08/00/65/790080065.db2.gz XTKHWJBANLIUNN-GOSISDBHSA-N 1 3 332.492 2.151 10 0 EEAEHO CC(C)C[N@@H+](C)CCCNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000846178732 790080066 /nfs/dbraw/zinc/08/00/66/790080066.db2.gz XTKHWJBANLIUNN-GOSISDBHSA-N 1 3 332.492 2.151 10 0 EEAEHO C[C@@H]1OCC[C@@]1(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716694235 796443376 /nfs/dbraw/zinc/44/33/76/796443376.db2.gz SAVSFSSNSRODOK-ONSCTEFMSA-N 1 3 330.472 2.169 10 0 EEAEHO CN(C)C(=O)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716717317 796445766 /nfs/dbraw/zinc/44/57/66/796445766.db2.gz 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Cc1ccc(C)c(CN(C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001437458064 1089769384 /nfs/dbraw/zinc/76/93/84/1089769384.db2.gz OARHDJASBNCHSA-LJQANCHMSA-N 1 3 329.488 2.193 10 0 EEAEHO CCN(CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)CCOC1CCC1 ZINC001437624903 1090136049 /nfs/dbraw/zinc/13/60/49/1090136049.db2.gz GOKNFFDECUHYRK-FUHWJXTLSA-N 1 3 337.508 2.011 10 0 EEAEHO CCN(CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)CCOC1CCC1 ZINC001437624903 1090136053 /nfs/dbraw/zinc/13/60/53/1090136053.db2.gz GOKNFFDECUHYRK-FUHWJXTLSA-N 1 3 337.508 2.011 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001437858112 1090438492 /nfs/dbraw/zinc/43/84/92/1090438492.db2.gz RROXGCDVQYEQJN-AEFFLSMTSA-N 1 3 339.524 2.112 10 0 EEAEHO CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001438142026 1090663991 /nfs/dbraw/zinc/66/39/91/1090663991.db2.gz FXGTZOGZKLYMCW-RDTXWAMCSA-N 1 3 327.488 2.293 10 0 EEAEHO CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1cc(C)ns1 ZINC001438310216 1090788221 /nfs/dbraw/zinc/78/82/21/1090788221.db2.gz JMHZLTWBIYXVDZ-GJZGRUSLSA-N 1 3 338.521 2.310 10 0 EEAEHO CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1cc(C)ns1 ZINC001438310216 1090788226 /nfs/dbraw/zinc/78/82/26/1090788226.db2.gz JMHZLTWBIYXVDZ-GJZGRUSLSA-N 1 3 338.521 2.310 10 0 EEAEHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cccc(N(C)C)c1 ZINC001438331240 1090805738 /nfs/dbraw/zinc/80/57/38/1090805738.db2.gz KNPIJPKANDHHHH-WMZOPIPTSA-N 1 3 346.519 2.079 10 0 EEAEHO Cc1cnc([C@@H](C)NCC2(NC(=O)CCC[NH+](C)C)CCCC2)cn1 ZINC001438405999 1090892923 /nfs/dbraw/zinc/89/29/23/1090892923.db2.gz WFMDHSDENBHISE-MRXNPFEDSA-N 1 3 347.507 2.206 10 0 EEAEHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1c(F)cccc1F ZINC001438497723 1090994261 /nfs/dbraw/zinc/99/42/61/1090994261.db2.gz LDHVPNBBSGVRDC-CYBMUJFWSA-N 1 3 339.430 2.291 10 0 EEAEHO Cc1nc(CNC[C@@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)cs1 ZINC001438511137 1091002968 /nfs/dbraw/zinc/00/29/68/1091002968.db2.gz ZDDXMHHCVJPIQE-CZUORRHYSA-N 1 3 338.521 2.168 10 0 EEAEHO Cc1nc(CNC[C@@H](C)CNC(=O)CC[C@H]2CCC[N@H+]2C)cs1 ZINC001438511137 1091002975 /nfs/dbraw/zinc/00/29/75/1091002975.db2.gz ZDDXMHHCVJPIQE-CZUORRHYSA-N 1 3 338.521 2.168 10 0 EEAEHO Cc1nc(CNC[C@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)cs1 ZINC001438511140 1091002994 /nfs/dbraw/zinc/00/29/94/1091002994.db2.gz ZDDXMHHCVJPIQE-XJKSGUPXSA-N 1 3 338.521 2.168 10 0 EEAEHO Cc1nc(CNC[C@H](C)CNC(=O)CC[C@H]2CCC[N@H+]2C)cs1 ZINC001438511140 1091003003 /nfs/dbraw/zinc/00/30/03/1091003003.db2.gz ZDDXMHHCVJPIQE-XJKSGUPXSA-N 1 3 338.521 2.168 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(C)nc1C)C1CC1)N(C)C ZINC001445989249 1091958401 /nfs/dbraw/zinc/95/84/01/1091958401.db2.gz HRASDZHPQDNDTF-QZTJIDSGSA-N 1 3 332.492 2.023 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001448512084 1093538278 /nfs/dbraw/zinc/53/82/78/1093538278.db2.gz SDPVMVNPVVTPJW-IYARVYRRSA-N 1 3 335.467 2.481 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCc1cc(C)ns1 ZINC001448666557 1093734157 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EEAEHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2ccc(F)cc2F)C1 ZINC001480234154 1099861091 /nfs/dbraw/zinc/86/10/91/1099861091.db2.gz XRHWZYAIBRVWPP-IYBDPMFKSA-N 1 3 339.430 2.434 10 0 EEAEHO CN(CC[N@H+](C)C[C@@H]1CCCC(F)(F)C1)C(=O)[C@H]1CCCN1C ZINC001445024863 1100186238 /nfs/dbraw/zinc/18/62/38/1100186238.db2.gz DKZAZXPVYMXWSA-HUUCEWRRSA-N 1 3 331.451 2.296 10 0 EEAEHO CN(CC[N@@H+](C)C[C@@H]1CCCC(F)(F)C1)C(=O)[C@H]1CCCN1C ZINC001445024863 1100186241 /nfs/dbraw/zinc/18/62/41/1100186241.db2.gz DKZAZXPVYMXWSA-HUUCEWRRSA-N 1 3 331.451 2.296 10 0 EEAEHO Cc1cc(CNCC[C@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)on1 ZINC001495377093 1101095614 /nfs/dbraw/zinc/09/56/14/1101095614.db2.gz CILZEIYCKKQLCK-SJORKVTESA-N 1 3 348.491 2.043 10 0 EEAEHO Cc1cc(CNCC[C@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)on1 ZINC001495377093 1101095620 /nfs/dbraw/zinc/09/56/20/1101095620.db2.gz CILZEIYCKKQLCK-SJORKVTESA-N 1 3 348.491 2.043 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@]1(C)CCC[N@H+](CCOC2CCC2)C1 ZINC001446698626 1101264575 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C[C@H](CN(C)Cc1ccccc1N(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001498289195 1107223800 /nfs/dbraw/zinc/22/38/00/1107223800.db2.gz PRZNRVNKGMUPBJ-JFIYKMOQSA-N 1 3 346.519 2.029 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001498289195 1107223803 /nfs/dbraw/zinc/22/38/03/1107223803.db2.gz PRZNRVNKGMUPBJ-JFIYKMOQSA-N 1 3 346.519 2.029 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1nccs1 ZINC001498502915 1107644118 /nfs/dbraw/zinc/64/41/18/1107644118.db2.gz HXWDJZVYIPGHIA-LSDHHAIUSA-N 1 3 338.521 2.248 10 0 EEAEHO CN(CCC[NH2+]Cc1cnc(Cl)s1)C(=O)[C@@H]1CCCCN1C ZINC001498597642 1107782842 /nfs/dbraw/zinc/78/28/42/1107782842.db2.gz MEKYJOKMAOUJAP-ZDUSSCGKSA-N 1 3 344.912 2.219 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)NCC2(N[C@H]3CCc4ccc(F)cc43)CC2)C1 ZINC001499447900 1112291689 /nfs/dbraw/zinc/29/16/89/1112291689.db2.gz AMQNPMVXNNQTTJ-YOEHRIQHSA-N 1 3 331.435 2.003 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)NCC2(N[C@H]3CCc4ccc(F)cc43)CC2)C1 ZINC001499447900 1112291692 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C[NH+](C)CCc1ccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000364212714 165054225 /nfs/dbraw/zinc/05/42/25/165054225.db2.gz KKBBMNWHLZHPCB-MBOZVWFJSA-N 1 3 345.487 2.262 10 0 EEAEHO CCOC(=O)c1csc(CCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000375840039 167210199 /nfs/dbraw/zinc/21/01/99/167210199.db2.gz OEQIJHXEEMPBME-UMVBOHGHSA-N 1 3 337.489 2.325 10 0 EEAEHO CCOC(=O)c1csc(CCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000375840039 167210203 /nfs/dbraw/zinc/21/02/03/167210203.db2.gz OEQIJHXEEMPBME-UMVBOHGHSA-N 1 3 337.489 2.325 10 0 EEAEHO CC(C)(C)[C@H](O)CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000289357457 275111195 /nfs/dbraw/zinc/11/11/95/275111195.db2.gz GWAGGAKLBXQQPN-WOJBJXKFSA-N 1 3 345.531 2.286 10 0 EEAEHO CC(C)(C)[C@H](O)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000289357457 275111196 /nfs/dbraw/zinc/11/11/96/275111196.db2.gz GWAGGAKLBXQQPN-WOJBJXKFSA-N 1 3 345.531 2.286 10 0 EEAEHO CC1=CCN(CCNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000358675042 276182314 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343.515 2.446 10 0 EEAEHO O[C@@H](C[NH2+]C1CC(N2CCCCC2)C1)COCc1ccccc1F ZINC000577603744 320265237 /nfs/dbraw/zinc/26/52/37/320265237.db2.gz WKTVBKAKPFEDCH-ABHNRTSZSA-N 1 3 336.451 2.310 10 0 EEAEHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC000578010750 320288758 /nfs/dbraw/zinc/28/87/58/320288758.db2.gz JTFVNSLYOFIDPP-SFHVURJKSA-N 1 3 332.492 2.094 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000581833324 324326328 /nfs/dbraw/zinc/32/63/28/324326328.db2.gz JIODEHNWJMSJIH-MJGOQNOKSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000581833324 324326330 /nfs/dbraw/zinc/32/63/30/324326330.db2.gz JIODEHNWJMSJIH-MJGOQNOKSA-N 1 3 329.488 2.451 10 0 EEAEHO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000081331525 463421318 /nfs/dbraw/zinc/42/13/18/463421318.db2.gz HBBBGFVBUPKQIK-KRWDZBQOSA-N 1 3 347.503 2.431 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000268883914 463793940 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344.503 2.415 10 0 EEAEHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC[C@H]3CCC=CO3)c2)C1 ZINC000248750959 464795740 /nfs/dbraw/zinc/79/57/40/464795740.db2.gz BXVIGFUTCIYWIX-RTBURBONSA-N 1 3 343.471 2.166 10 0 EEAEHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC[C@H]3CCC=CO3)c2)C1 ZINC000248750959 464795750 /nfs/dbraw/zinc/79/57/50/464795750.db2.gz BXVIGFUTCIYWIX-RTBURBONSA-N 1 3 343.471 2.166 10 0 EEAEHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000338003318 465742822 /nfs/dbraw/zinc/74/28/22/465742822.db2.gz VOIJXULLUDBQIX-UFYCRDLUSA-N 1 3 343.515 2.444 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[C@@H]2O)CC1 ZINC000304962174 466324068 /nfs/dbraw/zinc/32/40/68/466324068.db2.gz MTVYRZIEAGEHOG-QUCCMNQESA-N 1 3 331.504 2.469 10 0 EEAEHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1F ZINC000367603344 466442550 /nfs/dbraw/zinc/44/25/50/466442550.db2.gz ZEWCTWDNTJHZMN-KBAYOESNSA-N 1 3 333.451 2.326 10 0 EEAEHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1F ZINC000367603344 466442553 /nfs/dbraw/zinc/44/25/53/466442553.db2.gz ZEWCTWDNTJHZMN-KBAYOESNSA-N 1 3 333.451 2.326 10 0 EEAEHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCN(c2ccncc2)CC1 ZINC000594132625 468493353 /nfs/dbraw/zinc/49/33/53/468493353.db2.gz BGWDZULXZIWOGC-CALCHBBNSA-N 1 3 345.491 2.176 10 0 EEAEHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCN(c2ccncc2)CC1 ZINC000594132625 468493354 /nfs/dbraw/zinc/49/33/54/468493354.db2.gz BGWDZULXZIWOGC-CALCHBBNSA-N 1 3 345.491 2.176 10 0 EEAEHO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1cccc(OCCN(C)C)c1 ZINC000358158412 466502092 /nfs/dbraw/zinc/50/20/92/466502092.db2.gz NRKIMKMTSZJOLM-HPUBIQBYSA-N 1 3 333.476 2.322 10 0 EEAEHO CN(C(=O)C[C@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000310275189 466511082 /nfs/dbraw/zinc/51/10/82/466511082.db2.gz UQCSMYHOOROLDX-GOSISDBHSA-N 1 3 329.488 2.499 10 0 EEAEHO CN(C(=O)[C@H]1CCC[C@H]1C[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000310550652 466516600 /nfs/dbraw/zinc/51/66/00/466516600.db2.gz UJIAOTXRJDBJKZ-HKUYNNGSSA-N 1 3 329.488 2.484 10 0 EEAEHO C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H](N)c2ccccc2)([NH+](C)C)C1 ZINC000417218755 466806228 /nfs/dbraw/zinc/80/62/28/466806228.db2.gz UCRXRNVRLLFTKL-SZVBFZGTSA-N 1 3 332.492 2.496 10 0 EEAEHO Cc1c[nH]nc1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000365650749 466896454 /nfs/dbraw/zinc/89/64/54/466896454.db2.gz NZCWXOTZQXUKQA-UHFFFAOYSA-N 1 3 333.524 2.346 10 0 EEAEHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000417841973 466952615 /nfs/dbraw/zinc/95/26/15/466952615.db2.gz MJIIMTWZJRIZRU-OAHLLOKOSA-N 1 3 346.466 2.041 10 0 EEAEHO CCN(C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418341947 467095341 /nfs/dbraw/zinc/09/53/41/467095341.db2.gz IBALUNKWMFXCBG-NXHRZFHOSA-N 1 3 330.476 2.215 10 0 EEAEHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418701494 467147578 /nfs/dbraw/zinc/14/75/78/467147578.db2.gz GLRLBAMDKYCACY-ABSDTBQOSA-N 1 3 344.503 2.420 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000389969588 467405035 /nfs/dbraw/zinc/40/50/35/467405035.db2.gz ZFJZPICEHHDUGF-UZLBHIALSA-N 1 3 337.467 2.438 10 0 EEAEHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@@H]2C)cc1 ZINC000414861829 467440477 /nfs/dbraw/zinc/44/04/77/467440477.db2.gz WUYHGNSHSYPLNB-QLFBSQMISA-N 1 3 346.475 2.024 10 0 EEAEHO C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(OCCN(C)C)cc1 ZINC000453277673 467476399 /nfs/dbraw/zinc/47/63/99/467476399.db2.gz YGPQXQIMWPUONW-HKUYNNGSSA-N 1 3 349.519 2.124 10 0 EEAEHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529360827 467852195 /nfs/dbraw/zinc/85/21/95/467852195.db2.gz SYBKRDHHWPILIK-QGZVFWFLSA-N 1 3 346.475 2.170 10 0 EEAEHO O=C(CCN1CC[C@]2(C1)CCC[NH2+]C2)NCc1ccccc1Cl ZINC000514726704 467951259 /nfs/dbraw/zinc/95/12/59/467951259.db2.gz HQLQKTDDSBGEGH-GOSISDBHSA-N 1 3 335.879 2.422 10 0 EEAEHO O=C(CC[N@@H+]1CC[C@]2(C1)CCCNC2)NCc1ccccc1Cl ZINC000514726704 467951261 /nfs/dbraw/zinc/95/12/61/467951261.db2.gz HQLQKTDDSBGEGH-GOSISDBHSA-N 1 3 335.879 2.422 10 0 EEAEHO O=C(CC[N@H+]1CC[C@]2(C1)CCCNC2)NCc1ccccc1Cl ZINC000514726704 467951263 /nfs/dbraw/zinc/95/12/63/467951263.db2.gz HQLQKTDDSBGEGH-GOSISDBHSA-N 1 3 335.879 2.422 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000561125625 468865764 /nfs/dbraw/zinc/86/57/64/468865764.db2.gz MYXZFZYIZBAGBJ-BPQIPLTHSA-N 1 3 330.476 2.121 10 0 EEAEHO CN(CCC[NH+](C)C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000561310849 468886166 /nfs/dbraw/zinc/88/61/66/468886166.db2.gz SRWUAFOEZXLNFA-QGZVFWFLSA-N 1 3 335.467 2.448 10 0 EEAEHO CN1CC[C@@H](NC(=O)NCC2(C)CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000572380891 468926312 /nfs/dbraw/zinc/92/63/12/468926312.db2.gz BHAJJJFSLHATNI-SJORKVTESA-N 1 3 330.476 2.121 10 0 EEAEHO CN(C)CCOc1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)cc1 ZINC000604768309 469509349 /nfs/dbraw/zinc/50/93/49/469509349.db2.gz WRHFRROECCDVEC-UHFFFAOYSA-N 1 3 340.467 2.247 10 0 EEAEHO C[NH2+]CCOCCN[C@@H]1CCCOc2cc(Br)ccc21 ZINC000629529256 469573196 /nfs/dbraw/zinc/57/31/96/469573196.db2.gz WTOOBHVMHQSZIH-CQSZACIVSA-N 1 3 343.265 2.488 10 0 EEAEHO C[N@@H+]1CC[C@@H](NCc2cccc(CN3CCOCC3)c2)CC1(C)C ZINC000623362529 469635390 /nfs/dbraw/zinc/63/53/90/469635390.db2.gz XNQUDJBIXHCQTN-LJQANCHMSA-N 1 3 331.504 2.481 10 0 EEAEHO C[N@H+]1CC[C@@H](NCc2cccc(CN3CCOCC3)c2)CC1(C)C ZINC000623362529 469635394 /nfs/dbraw/zinc/63/53/94/469635394.db2.gz XNQUDJBIXHCQTN-LJQANCHMSA-N 1 3 331.504 2.481 10 0 EEAEHO CN1CC[C@@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)CC1(C)C ZINC000623362529 469635397 /nfs/dbraw/zinc/63/53/97/469635397.db2.gz XNQUDJBIXHCQTN-LJQANCHMSA-N 1 3 331.504 2.481 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000617502334 469698968 /nfs/dbraw/zinc/69/89/68/469698968.db2.gz LXZUPPXEMPEZSN-VDZJLULYSA-N 1 3 335.467 2.260 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000617502334 469698970 /nfs/dbraw/zinc/69/89/70/469698970.db2.gz LXZUPPXEMPEZSN-VDZJLULYSA-N 1 3 335.467 2.260 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000626993165 469781323 /nfs/dbraw/zinc/78/13/23/469781323.db2.gz CQVGJJYORAUMFS-GDAAHCPNSA-N 1 3 344.503 2.337 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C[NH2+]1 ZINC000627017022 469791259 /nfs/dbraw/zinc/79/12/59/469791259.db2.gz YGEUPXXRZWOLJO-KPFFTGBYSA-N 1 3 344.503 2.481 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000627033354 469797457 /nfs/dbraw/zinc/79/74/57/469797457.db2.gz HRSVGJKZMZAYJL-DZJNRPSUSA-N 1 3 332.492 2.426 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C[NH2+]1 ZINC000627193836 469839593 /nfs/dbraw/zinc/83/95/93/469839593.db2.gz QQDYGLCFPGDYAK-SJLPKXTDSA-N 1 3 330.476 2.044 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000627239407 469854038 /nfs/dbraw/zinc/85/40/38/469854038.db2.gz AXOBTNUOGJMMOS-XYJFISCASA-N 1 3 330.476 2.043 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000627243870 469855490 /nfs/dbraw/zinc/85/54/90/469855490.db2.gz XQDQAZNSWXYDMH-HQRMLTQVSA-N 1 3 342.487 2.044 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000648866631 470375162 /nfs/dbraw/zinc/37/51/62/470375162.db2.gz FLHLKJNYEYNPJQ-YVWKXTFCSA-N 1 3 329.488 2.498 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000648866631 470375165 /nfs/dbraw/zinc/37/51/65/470375165.db2.gz FLHLKJNYEYNPJQ-YVWKXTFCSA-N 1 3 329.488 2.498 10 0 EEAEHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NC/C=C/C[NH3+] ZINC000641869437 470504482 /nfs/dbraw/zinc/50/44/82/470504482.db2.gz ACNCLHTXXMRASN-DKFQHHCZSA-N 1 3 330.476 2.055 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000635438409 470586312 /nfs/dbraw/zinc/58/63/12/470586312.db2.gz CUYGYJGUXJUNCR-RTBURBONSA-N 1 3 329.488 2.499 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000635438409 470586318 /nfs/dbraw/zinc/58/63/18/470586318.db2.gz CUYGYJGUXJUNCR-RTBURBONSA-N 1 3 329.488 2.499 10 0 EEAEHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2ccc3c(c2)OCCO3)C1 ZINC000650722218 470951240 /nfs/dbraw/zinc/95/12/40/470951240.db2.gz NHENBJOPLXJHBD-JFIYKMOQSA-N 1 3 332.444 2.319 10 0 EEAEHO C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H](c1ccccc1)N(C)C ZINC000654561767 471072578 /nfs/dbraw/zinc/07/25/78/471072578.db2.gz PAVXKEWDPBYVQI-CWLKWCNXSA-N 1 3 332.492 2.317 10 0 EEAEHO C[C@H]1CN(CCCC[NH2+]Cc2ccnn2-c2ccncc2)C[C@H](C)O1 ZINC000657367668 471115027 /nfs/dbraw/zinc/11/50/27/471115027.db2.gz RJBJTEZFMVUNCI-IRXDYDNUSA-N 1 3 343.475 2.246 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000654664599 471119916 /nfs/dbraw/zinc/11/99/16/471119916.db2.gz FOLRTAMUUNIXKB-WSTZPKSXSA-N 1 3 344.503 2.290 10 0 EEAEHO CN(CC[NH+]1CCCCC1)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659039651 471482088 /nfs/dbraw/zinc/48/20/88/471482088.db2.gz IMPBUUVKMAZSDE-GOSISDBHSA-N 1 3 346.475 2.297 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(C2CC2)n1 ZINC000667145681 471669723 /nfs/dbraw/zinc/66/97/23/471669723.db2.gz VYIRQESCJYOVHJ-AWEZNQCLSA-N 1 3 333.480 2.353 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(C2CC2)n1 ZINC000667145681 471669728 /nfs/dbraw/zinc/66/97/28/471669728.db2.gz VYIRQESCJYOVHJ-AWEZNQCLSA-N 1 3 333.480 2.353 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1nnc(-c2ccccn2)s1 ZINC000664196253 471672929 /nfs/dbraw/zinc/67/29/29/471672929.db2.gz IRVBLAOTGUHTAL-ZDUSSCGKSA-N 1 3 334.493 2.284 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1nnc(-c2ccccn2)s1 ZINC000664196253 471672933 /nfs/dbraw/zinc/67/29/33/471672933.db2.gz IRVBLAOTGUHTAL-ZDUSSCGKSA-N 1 3 334.493 2.284 10 0 EEAEHO Cc1cccc(CN(CCN(C)C)C(=O)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000659621869 471701728 /nfs/dbraw/zinc/70/17/28/471701728.db2.gz CCMQJQLCXZMJOU-GOSISDBHSA-N 1 3 334.508 2.442 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000659620932 471702021 /nfs/dbraw/zinc/70/20/21/471702021.db2.gz STKWRPMLAYJXQJ-RTBURBONSA-N 1 3 346.519 2.318 10 0 EEAEHO CC(C)NC(=O)[C@H]1CCCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000668732739 472242643 /nfs/dbraw/zinc/24/26/43/472242643.db2.gz FZRAAOMQPLSPNJ-SFHVURJKSA-N 1 3 347.503 2.364 10 0 EEAEHO C[C@H](NC(=O)N[C@H]1CCCN(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679297759 485651422 /nfs/dbraw/zinc/65/14/22/485651422.db2.gz IABOYBLOUIAYMH-UHOSZYNNSA-N 1 3 344.503 2.290 10 0 EEAEHO C[C@H](NC(=O)N[C@H]1CCCN(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679297759 485651426 /nfs/dbraw/zinc/65/14/26/485651426.db2.gz IABOYBLOUIAYMH-UHOSZYNNSA-N 1 3 344.503 2.290 10 0 EEAEHO CC(C)(CC[NH3+])NC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000422621421 535024480 /nfs/dbraw/zinc/02/44/80/535024480.db2.gz QDDJEVWETQQOBG-IBGZPJMESA-N 1 3 332.492 2.468 10 0 EEAEHO CCC(CC)[C@@H](CNC(=O)C[C@@H]1CSCCN1)[NH+]1CCCC1 ZINC000236663554 535102527 /nfs/dbraw/zinc/10/25/27/535102527.db2.gz XREWBOFZTSTLBU-HZPDHXFCSA-N 1 3 327.538 2.098 10 0 EEAEHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426485009 535858904 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CCCN(C)CC(=O)N1CC2(C1)CCC[N@H+](CCCOC(C)C)C2 ZINC001485666913 1191887098 /nfs/dbraw/zinc/88/70/98/1191887098.db2.gz VTCZIVWOCNCGEK-UHFFFAOYSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@@H+](CCCOC(C)C)C2 ZINC001485666913 1191887100 /nfs/dbraw/zinc/88/71/00/1191887100.db2.gz VTCZIVWOCNCGEK-UHFFFAOYSA-N 1 3 339.524 2.068 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccccn1 ZINC001485750880 1191931969 /nfs/dbraw/zinc/93/19/69/1191931969.db2.gz DDQLVQVUNWFHDG-WMZOPIPTSA-N 1 3 332.492 2.331 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]Cc1ccc(Cl)nc1)C1CC1 ZINC001670557331 1176904079 /nfs/dbraw/zinc/90/40/79/1176904079.db2.gz SEKVDMXXYSGKPA-OAHLLOKOSA-N 1 3 338.883 2.060 10 0 EEAEHO COCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001266764361 1177375806 /nfs/dbraw/zinc/37/58/06/1177375806.db2.gz PTIKMFJVKNPUNY-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001266764361 1177375812 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Cc1ccc(C[NH2+][C@@H](CNC(=O)C2(N(C)C)CCC2)C(C)C)c(C)n1 ZINC001482533717 1186545068 /nfs/dbraw/zinc/54/50/68/1186545068.db2.gz NNKGIWTWICFLSB-SFHVURJKSA-N 1 3 346.519 2.413 10 0 EEAEHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(Cl)nc1)C(C)C)N(C)C ZINC001271900786 1186596002 /nfs/dbraw/zinc/59/60/02/1186596002.db2.gz KRRZRWCLWZUOCW-GJZGRUSLSA-N 1 3 340.899 2.306 10 0 EEAEHO Cc1ccccc1C[NH+]1CC([C@H](C)NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001409938903 1193484516 /nfs/dbraw/zinc/48/45/16/1193484516.db2.gz XUHMXWPVVVNGQK-WBVHZDCISA-N 1 3 329.488 2.273 10 0 EEAEHO COc1ccc(CN(C)CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001482622103 1187445680 /nfs/dbraw/zinc/44/56/80/1187445680.db2.gz DUKTYTVLRRICFI-WMZOPIPTSA-N 1 3 347.503 2.316 10 0 EEAEHO COc1ccc(CN(C)CCN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001482622103 1187445683 /nfs/dbraw/zinc/44/56/83/1187445683.db2.gz DUKTYTVLRRICFI-WMZOPIPTSA-N 1 3 347.503 2.316 10 0 EEAEHO CCN(CC[NH2+]Cc1ccc2c(c1)COC2)C(=O)CN(C)C1CCC1 ZINC001482932142 1187841663 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2.042 10 0 EEAEHO O=C(CN1CCCC1)N1CC[C@H](CC[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001484549541 1191409404 /nfs/dbraw/zinc/40/94/04/1191409404.db2.gz KATRYZQUBBQKKC-JKSUJKDBSA-N 1 3 343.462 2.346 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCOCC2CCC2)CC1)N(C)C ZINC001484722358 1191492024 /nfs/dbraw/zinc/49/20/24/1191492024.db2.gz UXHSXOXBXIPMHC-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCOCC2CCC2)CC1)N(C)C ZINC001484722358 1191492026 /nfs/dbraw/zinc/49/20/26/1191492026.db2.gz UXHSXOXBXIPMHC-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CCC1([NH2+]Cc2cccnc2)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001484820423 1191539849 /nfs/dbraw/zinc/53/98/49/1191539849.db2.gz RQIGBKYCBSJVFQ-UHFFFAOYSA-N 1 3 332.492 2.283 10 0 EEAEHO Cc1nn(C(C)C)cc1CN[C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001485189283 1191685972 /nfs/dbraw/zinc/68/59/72/1191685972.db2.gz KYEONLXGACFFOA-HUUCEWRRSA-N 1 3 349.523 2.097 10 0 EEAEHO COCC[NH2+]C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C(C)(C)C ZINC001486418089 1193948182 /nfs/dbraw/zinc/94/81/82/1193948182.db2.gz SBTKOPKIBDTRFI-HOTGVXAUSA-N 1 3 327.513 2.018 10 0 EEAEHO C[C@@H](CCNCc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273019037 1194326315 /nfs/dbraw/zinc/32/63/15/1194326315.db2.gz RGLNQFLTQGFJRV-KGLIPLIRSA-N 1 3 339.430 2.291 10 0 EEAEHO C[C@@H](CCNCc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001273019037 1194326318 /nfs/dbraw/zinc/32/63/18/1194326318.db2.gz RGLNQFLTQGFJRV-KGLIPLIRSA-N 1 3 339.430 2.291 10 0 EEAEHO Cc1cnc(CNCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC001273052295 1194357230 /nfs/dbraw/zinc/35/72/30/1194357230.db2.gz KJMBZOSJBVKJSC-QAPCUYQASA-N 1 3 347.507 2.032 10 0 EEAEHO Cc1cnc(CNCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cn1 ZINC001273052295 1194357233 /nfs/dbraw/zinc/35/72/33/1194357233.db2.gz KJMBZOSJBVKJSC-QAPCUYQASA-N 1 3 347.507 2.032 10 0 EEAEHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3C)C[C@H]21)N(C)C ZINC001410114772 1197554626 /nfs/dbraw/zinc/55/46/26/1197554626.db2.gz OWUDVQHESASXDS-OKYOBFRVSA-N 1 3 329.488 2.129 10 0 EEAEHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccccc3C)C[C@H]21)N(C)C ZINC001410114772 1197554631 /nfs/dbraw/zinc/55/46/31/1197554631.db2.gz OWUDVQHESASXDS-OKYOBFRVSA-N 1 3 329.488 2.129 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000810351969 1199464870 /nfs/dbraw/zinc/46/48/70/1199464870.db2.gz CEWGJQHRCFEUIE-YJBOKZPZSA-N 1 3 325.472 2.286 10 0 EEAEHO C[NH+]1CCC([C@H]2CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)CC1 ZINC000810651428 1199645475 /nfs/dbraw/zinc/64/54/75/1199645475.db2.gz MBLMNSWWGJYTEL-QFBILLFUSA-N 1 3 339.499 2.389 10 0 EEAEHO CN(C)CC[NH+]1CCC(CN[C@@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866259475 1201478218 /nfs/dbraw/zinc/47/82/18/1201478218.db2.gz MXCJBLQWFOBZSW-PKOBYXMFSA-N 1 3 335.467 2.321 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000925328280 1206097424 /nfs/dbraw/zinc/09/74/24/1206097424.db2.gz VUXWJPVEJGEJJB-NEWSRXKRSA-N 1 3 344.503 2.243 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000925328280 1206097427 /nfs/dbraw/zinc/09/74/27/1206097427.db2.gz VUXWJPVEJGEJJB-NEWSRXKRSA-N 1 3 344.503 2.243 10 0 EEAEHO O[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)COc1cccc(F)c1 ZINC000925505541 1206120724 /nfs/dbraw/zinc/12/07/24/1206120724.db2.gz SXUIZANOCPJGJJ-BHIYHBOVSA-N 1 3 336.451 2.323 10 0 EEAEHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H]2CCN(C(=O)COc3ccccc3)C2)C1 ZINC000925665869 1206141541 /nfs/dbraw/zinc/14/15/41/1206141541.db2.gz NAVDBUPTFSKDMS-IXDOHACOSA-N 1 3 345.487 2.162 10 0 EEAEHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1sccc1Br ZINC000925762798 1206151547 /nfs/dbraw/zinc/15/15/47/1206151547.db2.gz OIORPXBJNMYHKP-NHCYSSNCSA-N 1 3 333.295 2.395 10 0 EEAEHO c1cc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)n(-c2ccccc2)n1 ZINC000925806160 1206155691 /nfs/dbraw/zinc/15/56/91/1206155691.db2.gz YBJSEQCCCPCNGB-SLFFLAALSA-N 1 3 340.471 2.162 10 0 EEAEHO O=C1O[C@H](CN[C@@H]2CCCc3ccc(O)cc32)CC12CC[NH2+]CC2 ZINC000925848876 1206160131 /nfs/dbraw/zinc/16/01/31/1206160131.db2.gz FBFXDZCGCZKHMS-DOTOQJQBSA-N 1 3 330.428 2.045 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCOc2cc(C)ccc2C)C1)N(C)C ZINC001490852022 1209758533 /nfs/dbraw/zinc/75/85/33/1209758533.db2.gz CNEDGPPPQRZTDQ-ROUUACIJSA-N 1 3 347.503 2.213 10 0 EEAEHO c1nnn([C@@H]2CCC[NH2+]C2)c1CNCC[C@H]1CCc2ccccc2N1 ZINC000903931586 1242550184 /nfs/dbraw/zinc/55/01/84/1242550184.db2.gz FSSWLDDREPLONC-IAGOWNOFSA-N 1 3 340.475 2.109 10 0 EEAEHO Cc1c(C[C@@H](CN)C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)cnn1C ZINC000903947613 1242660090 /nfs/dbraw/zinc/66/00/90/1242660090.db2.gz CCNQNHFHOMZERR-PKOBYXMFSA-N 1 3 348.535 2.375 10 0 EEAEHO Cc1c(C[C@@H](CN)C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)cnn1C ZINC000903947613 1242660099 /nfs/dbraw/zinc/66/00/99/1242660099.db2.gz CCNQNHFHOMZERR-PKOBYXMFSA-N 1 3 348.535 2.375 10 0 EEAEHO Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CNCCC3(F)F)s2)cn1 ZINC000903958386 1242723766 /nfs/dbraw/zinc/72/37/66/1242723766.db2.gz ZDGQVWLTFMIBEV-LBPRGKRZSA-N 1 3 326.416 2.483 10 0 EEAEHO COc1cc(Br)c(CNCC[C@@H]2C[NH2+]C[C@H]2C)cc1O ZINC000903974453 1242811785 /nfs/dbraw/zinc/81/17/85/1242811785.db2.gz NGLFFMXUJCDNER-GHMZBOCLSA-N 1 3 343.265 2.499 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N[C@H](C)C[NH+]2CCCCC2)cc(Cl)n1 ZINC000826935045 1248130482 /nfs/dbraw/zinc/13/04/82/1248130482.db2.gz SHLPQAVLIACMLL-UKRRQHHQSA-N 1 3 338.883 2.424 10 0 EEAEHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000851645944 1277699614 /nfs/dbraw/zinc/69/96/14/1277699614.db2.gz PESNHZXATKJBBZ-GOSISDBHSA-N 1 3 329.444 2.160 10 0 EEAEHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC001489240381 1290490280 /nfs/dbraw/zinc/49/02/80/1290490280.db2.gz MKAFKEKFYVBLIC-SFHVURJKSA-N 1 3 339.524 2.116 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001490605483 1291516013 /nfs/dbraw/zinc/51/60/13/1291516013.db2.gz FQXOMWBULZSUMH-HMZQOCAUSA-N 1 3 327.900 2.442 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H]([NH2+]CCCF)C2CC2)C1 ZINC001490710822 1291597483 /nfs/dbraw/zinc/59/74/83/1291597483.db2.gz VCCIHAUGHHKQPG-WMLDXEAASA-N 1 3 331.451 2.043 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCN(C)Cc1cccnc1C ZINC001264993411 1322842431 /nfs/dbraw/zinc/84/24/31/1322842431.db2.gz LOASYHNGZIDBRC-SFHVURJKSA-N 1 3 332.492 2.203 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NCCCN(C)Cc1cccnc1C ZINC001264993411 1322842433 /nfs/dbraw/zinc/84/24/33/1322842433.db2.gz LOASYHNGZIDBRC-SFHVURJKSA-N 1 3 332.492 2.203 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2CCN(CCOCC)CC2)C1 ZINC001265196083 1322979476 /nfs/dbraw/zinc/97/94/76/1322979476.db2.gz XIEBMWMYOOPDMC-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)C2CCN(CCOCC)CC2)C1 ZINC001265196083 1322979479 /nfs/dbraw/zinc/97/94/79/1322979479.db2.gz XIEBMWMYOOPDMC-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1ccccc1OCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001279273161 1323860949 /nfs/dbraw/zinc/86/09/49/1323860949.db2.gz BDRMCWVMNSPZRM-DAWZGUTISA-N 1 3 345.487 2.047 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001281476075 1325147531 /nfs/dbraw/zinc/14/75/31/1325147531.db2.gz PAHSZRZMWJXCNS-PKOBYXMFSA-N 1 3 331.504 2.396 10 0 EEAEHO Cc1ncccc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001491601352 1330180702 /nfs/dbraw/zinc/18/07/02/1330180702.db2.gz JQSXNXBBVAPWEW-YJBOKZPZSA-N 1 3 332.492 2.247 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001491682308 1330204356 /nfs/dbraw/zinc/20/43/56/1330204356.db2.gz KPXAZVQIRZUOFB-GFCCVEGCSA-N 1 3 329.847 2.414 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]Cc1ccc(Cl)nc1)C1CC1 ZINC001317034329 1332052066 /nfs/dbraw/zinc/05/20/66/1332052066.db2.gz NDQANXKSTCUVFK-HNNXBMFYSA-N 1 3 338.883 2.060 10 0 EEAEHO Cc1ncc(CNCC[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)o1 ZINC001319775175 1332764717 /nfs/dbraw/zinc/76/47/17/1332764717.db2.gz RDRUKSLJGGENNJ-INIZCTEOSA-N 1 3 336.480 2.186 10 0 EEAEHO CN(C)Cc1cccc(C(=O)N2CCCC[C@H]2CC[NH2+]CCCO)c1 ZINC001319789610 1332768519 /nfs/dbraw/zinc/76/85/19/1332768519.db2.gz BXWCSEKBDCJUES-IBGZPJMESA-N 1 3 347.503 2.105 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001321189687 1333041072 /nfs/dbraw/zinc/04/10/72/1333041072.db2.gz PJKGJRLNNCTITO-CJBXHNHZSA-N 1 3 331.435 2.169 10 0 EEAEHO Cc1cc(F)ccc1C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)N(C)C ZINC001321232912 1333050944 /nfs/dbraw/zinc/05/09/44/1333050944.db2.gz NIOHDDNPBJZRAW-HPFMTEOYSA-N 1 3 335.467 2.482 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCOCC1 ZINC001322003877 1333193984 /nfs/dbraw/zinc/19/39/84/1333193984.db2.gz FSDMFXRVQJBIFX-WMZOPIPTSA-N 1 3 339.524 2.160 10 0 EEAEHO CC(C)COCCN1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001324614216 1333722783 /nfs/dbraw/zinc/72/27/83/1333722783.db2.gz FQIYVOIALBDVPR-HKUYNNGSSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)COCCN1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001324614216 1333722786 /nfs/dbraw/zinc/72/27/86/1333722786.db2.gz FQIYVOIALBDVPR-HKUYNNGSSA-N 1 3 339.524 2.112 10 0 EEAEHO CC[C@H](F)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCN1C ZINC001325690155 1333941236 /nfs/dbraw/zinc/94/12/36/1333941236.db2.gz RUFXEJNWZAHXIU-ZWKOTPCHSA-N 1 3 335.467 2.447 10 0 EEAEHO CC(C)COCC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001328260309 1334428807 /nfs/dbraw/zinc/42/88/07/1334428807.db2.gz RYVSPYQSCQKRPV-SJORKVTESA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)COCC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001328260309 1334428809 /nfs/dbraw/zinc/42/88/09/1334428809.db2.gz RYVSPYQSCQKRPV-SJORKVTESA-N 1 3 339.524 2.112 10 0 EEAEHO CCc1onc(C)c1CNCCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001330963303 1334936159 /nfs/dbraw/zinc/93/61/59/1334936159.db2.gz USHLPVMEUQHJHS-AWEZNQCLSA-N 1 3 348.491 2.016 10 0 EEAEHO CC[C@H](C[N@H+]1CC=C(CNC(=O)CN(C)CC(C)(C)C)CC1)OC ZINC001333407032 1336037790 /nfs/dbraw/zinc/03/77/90/1336037790.db2.gz SSMMSGKZUMYONN-QGZVFWFLSA-N 1 3 339.524 2.138 10 0 EEAEHO CC[C@H](C[N@@H+]1CC=C(CNC(=O)CN(C)CC(C)(C)C)CC1)OC ZINC001333407032 1336037794 /nfs/dbraw/zinc/03/77/94/1336037794.db2.gz SSMMSGKZUMYONN-QGZVFWFLSA-N 1 3 339.524 2.138 10 0 EEAEHO CCN(CCNCc1cccnc1C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001668614169 1355973050 /nfs/dbraw/zinc/97/30/50/1355973050.db2.gz MLMPAYUGNPNMEE-MJGOQNOKSA-N 1 3 346.519 2.449 10 0 EEAEHO Cc1ccc(CC[NH2+]CCCN(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001670249734 1356304477 /nfs/dbraw/zinc/30/44/77/1356304477.db2.gz OJOUTBBQUPSEDV-SFHVURJKSA-N 1 3 331.504 2.317 10 0 EEAEHO CC(C)OCCC[NH2+][C@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001567166328 1342703036 /nfs/dbraw/zinc/70/30/36/1342703036.db2.gz BQVBOZSKXQXRTQ-IRXDYDNUSA-N 1 3 339.524 2.303 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCOC(C)C)C1 ZINC001567177283 1342705615 /nfs/dbraw/zinc/70/56/15/1342705615.db2.gz SZVVOQRLDYDNIO-HZPDHXFCSA-N 1 3 336.480 2.093 10 0 EEAEHO CCOCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001569687137 1342923819 /nfs/dbraw/zinc/92/38/19/1342923819.db2.gz ODWCWMXYBPSPCX-MJGOQNOKSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(CCNCCF)Cc1ccccc1 ZINC001569871117 1342963381 /nfs/dbraw/zinc/96/33/81/1342963381.db2.gz WOVGZWQXSIPNMF-IRXDYDNUSA-N 1 3 335.467 2.447 10 0 EEAEHO CC[C@H](C(=O)N1CCC(CC)([NH2+]CCOC(C)C)CC1)N(C)C ZINC001570263077 1343044362 /nfs/dbraw/zinc/04/43/62/1343044362.db2.gz ADMQEJPJPHSPAV-MRXNPFEDSA-N 1 3 327.513 2.112 10 0 EEAEHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cccc(Cl)n1 ZINC001649442766 1353507787 /nfs/dbraw/zinc/50/77/87/1353507787.db2.gz NGNXFPUMYGCUOE-ZIAGYGMSSA-N 1 3 338.883 2.061 10 0 EEAEHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]CCCc2ccccc2)C1 ZINC001662723079 1354832042 /nfs/dbraw/zinc/83/20/42/1354832042.db2.gz QFZFDSCIQKQWCY-LJQANCHMSA-N 1 3 329.488 2.153 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCCOC)CC1 ZINC001664467481 1355171611 /nfs/dbraw/zinc/17/16/11/1355171611.db2.gz MKAAOZCFWATZEE-WMZOPIPTSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cncc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001666092914 1355448320 /nfs/dbraw/zinc/44/83/20/1355448320.db2.gz KMOMHKPZAIXYHR-MJGOQNOKSA-N 1 3 344.503 2.203 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001666993015 1355629456 /nfs/dbraw/zinc/62/94/56/1355629456.db2.gz XWCHVCRQJUGURC-ROUUACIJSA-N 1 3 331.504 2.316 10 0 EEAEHO O=C(NC/C=C/CNCc1ccc(F)c(F)c1)[C@H]1C[NH+]2CCC1CC2 ZINC001668828223 1356015074 /nfs/dbraw/zinc/01/50/74/1356015074.db2.gz OGTGIQCIHJFAOS-PYKQWIPUSA-N 1 3 349.425 2.069 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC/C=C/C[NH2+]CC2CCC(F)(F)CC2)C1 ZINC001669039254 1356074310 /nfs/dbraw/zinc/07/43/10/1356074310.db2.gz LHMHINSQBNMGLZ-XYBNCVKDSA-N 1 3 343.462 2.416 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C\C[NH2+]CC[C@H]1CCc2ccccc21 ZINC001669189318 1356120600 /nfs/dbraw/zinc/12/06/00/1356120600.db2.gz MTICJLOIKSIZIK-ZRHASKPBSA-N 1 3 341.499 2.464 10 0 EEAEHO Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CN2CC[C@H](C)C2)c(C)n1 ZINC001699136118 1405286163 /nfs/dbraw/zinc/28/61/63/1405286163.db2.gz ROCCXPASAKBIHB-GOEBONIOSA-N 1 3 332.492 2.025 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CC(F)(F)C1 ZINC001699554031 1405392915 /nfs/dbraw/zinc/39/29/15/1405392915.db2.gz IYIIUPDIUVHZHJ-HNNXBMFYSA-N 1 3 331.451 2.344 10 0 EEAEHO CCc1nc(C)c([C@@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)s1 ZINC000925850519 779573209 /nfs/dbraw/zinc/57/32/09/779573209.db2.gz IQNWBZDABUUNOW-DGCLKSJQSA-N 1 3 337.489 2.350 10 0 EEAEHO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000907934856 784993300 /nfs/dbraw/zinc/99/33/00/784993300.db2.gz LQPAXCHIDIXQAB-QGZVFWFLSA-N 1 3 346.475 2.113 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc(Cl)n1 ZINC000844174545 788886713 /nfs/dbraw/zinc/88/67/13/788886713.db2.gz KKWNIDPNQXUVMJ-KFWWJZLASA-N 1 3 336.867 2.176 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc(Cl)n1 ZINC000844174545 788886722 /nfs/dbraw/zinc/88/67/22/788886722.db2.gz KKWNIDPNQXUVMJ-KFWWJZLASA-N 1 3 336.867 2.176 10 0 EEAEHO COc1ccc(CN(C)C[C@H]2CC3(C[NH2+]C3)CO2)cc1OC(F)F ZINC000923305654 789347808 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344.503 2.345 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC001436470718 1087932659 /nfs/dbraw/zinc/93/26/59/1087932659.db2.gz JIWUSWUWFRQOMK-SFHVURJKSA-N 1 3 339.524 2.114 10 0 EEAEHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001436474318 1087941222 /nfs/dbraw/zinc/94/12/22/1087941222.db2.gz GKNRRMBENGGCRD-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO Cc1cccnc1CN[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001437262817 1089407942 /nfs/dbraw/zinc/40/79/42/1089407942.db2.gz GMDWTYLJDKLBHW-SJLPKXTDSA-N 1 3 332.492 2.105 10 0 EEAEHO CCc1cccc(CN(C)CCNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001437454800 1089765424 /nfs/dbraw/zinc/76/54/24/1089765424.db2.gz COHBDNQULHXTFV-IBGZPJMESA-N 1 3 329.488 2.139 10 0 EEAEHO CC[C@H](C(=O)NCC[C@H]1CC[N@H+](Cc2cnccc2C)C1)N(C)C ZINC001437951449 1090548559 /nfs/dbraw/zinc/54/85/59/1090548559.db2.gz XCBWWRVYCDHVLB-FUHWJXTLSA-N 1 3 332.492 2.058 10 0 EEAEHO CC[C@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2cnccc2C)C1)N(C)C ZINC001437951449 1090548562 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EEAEHO CCN(CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001439530578 1092385579 /nfs/dbraw/zinc/38/55/79/1092385579.db2.gz BARXAKGVDBECEV-IAGOWNOFSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@@H](NC1(CNC(=O)CC[NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC001439644088 1092566915 /nfs/dbraw/zinc/56/69/15/1092566915.db2.gz YIXHKZDUEDJVJD-GFCCVEGCSA-N 1 3 325.403 2.216 10 0 EEAEHO O=C(C[NH+]1CCCC1)NCC1(N[C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC001439666165 1092603936 /nfs/dbraw/zinc/60/39/36/1092603936.db2.gz BAIKATPJCXMLBA-MRXNPFEDSA-N 1 3 349.425 2.286 10 0 EEAEHO CCCC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001439801043 1092757389 /nfs/dbraw/zinc/75/73/89/1092757389.db2.gz AWPLVHDUSCODPT-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2cnc(C)s2)C1 ZINC001439899295 1092960361 /nfs/dbraw/zinc/96/03/61/1092960361.db2.gz CHPRZNZSJLNBJN-KRWDZBQOSA-N 1 3 338.521 2.122 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@@H]2C1 ZINC001440153820 1093214381 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EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]C/C=C\Cl)C1CC1 ZINC001441229468 1094608404 /nfs/dbraw/zinc/60/84/04/1094608404.db2.gz BKCCNAALHLEPJP-ZIDUMWFYSA-N 1 3 327.900 2.486 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](N[C@@H]2CCc3c2c(F)ccc3F)C1 ZINC001441423842 1095015157 /nfs/dbraw/zinc/01/51/57/1095015157.db2.gz SIPSBDLAKTVRHQ-XHBSWPGZSA-N 1 3 337.414 2.141 10 0 EEAEHO Cc1ccncc1CN[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001441848233 1095929968 /nfs/dbraw/zinc/92/99/68/1095929968.db2.gz XPTYTEPPJAOSCY-VQIMIIECSA-N 1 3 344.503 2.391 10 0 EEAEHO Cc1ccncc1CN[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001441848233 1095929974 /nfs/dbraw/zinc/92/99/74/1095929974.db2.gz XPTYTEPPJAOSCY-VQIMIIECSA-N 1 3 344.503 2.391 10 0 EEAEHO CCC[N@@H+]1CC[C@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001443241335 1097708562 /nfs/dbraw/zinc/70/85/62/1097708562.db2.gz IIJUNZPFKZZBAH-YJBOKZPZSA-N 1 3 327.488 2.437 10 0 EEAEHO CCC[N@H+]1CC[C@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001443241335 1097708567 /nfs/dbraw/zinc/70/85/67/1097708567.db2.gz IIJUNZPFKZZBAH-YJBOKZPZSA-N 1 3 327.488 2.437 10 0 EEAEHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c(C)noc2C)C1)N(C)C ZINC001479487369 1098560589 /nfs/dbraw/zinc/56/05/89/1098560589.db2.gz VYCATTMCHIWCLE-ZMSDIMECSA-N 1 3 336.480 2.006 10 0 EEAEHO CN(CC(=O)NC1(C[NH2+]C[C@@H]2CCOC2)CCCC1)CC(C)(C)C ZINC001444080099 1098607164 /nfs/dbraw/zinc/60/71/64/1098607164.db2.gz PQOIBQLCSUIUMZ-INIZCTEOSA-N 1 3 339.524 2.019 10 0 EEAEHO C[C@@H](CNC(=O)CC[NH+](C)C)CN[C@H](C)c1nc2ccccc2o1 ZINC001444395004 1098990006 /nfs/dbraw/zinc/99/00/06/1098990006.db2.gz ZVFDZCPMEODLOZ-ZIAGYGMSSA-N 1 3 332.448 2.182 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCN(Cc1cccnc1)C1CC1 ZINC001479868655 1099204087 /nfs/dbraw/zinc/20/40/87/1099204087.db2.gz JPRGAARLULVVEV-IBGZPJMESA-N 1 3 344.503 2.425 10 0 EEAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCCN(Cc1cccnc1)C1CC1 ZINC001479868655 1099204097 /nfs/dbraw/zinc/20/40/97/1099204097.db2.gz JPRGAARLULVVEV-IBGZPJMESA-N 1 3 344.503 2.425 10 0 EEAEHO CC[C@@H](C(=O)N(C)C1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1)N(C)C ZINC001479895551 1099274615 /nfs/dbraw/zinc/27/46/15/1099274615.db2.gz LWPNGLUOXHBKDZ-IRXDYDNUSA-N 1 3 339.524 2.065 10 0 EEAEHO O=C(NC[C@@H](NCC=C(Cl)Cl)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001480020622 1099498380 /nfs/dbraw/zinc/49/83/80/1099498380.db2.gz JTUAGRIDJBAYSV-UONOGXRCSA-N 1 3 346.302 2.132 10 0 EEAEHO C[C@@H](C[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C(=O)Cc1c[nH]cn1 ZINC001444690244 1099541178 /nfs/dbraw/zinc/54/11/78/1099541178.db2.gz ORSAEJWAXSZWQQ-QWHCGFSZSA-N 1 3 328.407 2.214 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]2CN(Cc3cccnc3)CC[C@@H]21 ZINC001480188931 1099785628 /nfs/dbraw/zinc/78/56/28/1099785628.db2.gz JHHXSVVMRNVSEI-MOPGFXCFSA-N 1 3 344.503 2.236 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]2CN(Cc3cccnc3)CC[C@@H]21 ZINC001480188931 1099785635 /nfs/dbraw/zinc/78/56/35/1099785635.db2.gz JHHXSVVMRNVSEI-MOPGFXCFSA-N 1 3 344.503 2.236 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001480238064 1099869023 /nfs/dbraw/zinc/86/90/23/1099869023.db2.gz OOAGKSKORYPSLR-CALCHBBNSA-N 1 3 328.460 2.245 10 0 EEAEHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C)c(C)n1 ZINC001480536262 1100366441 /nfs/dbraw/zinc/36/64/41/1100366441.db2.gz DSNBCBQIPOGZEQ-HNNXBMFYSA-N 1 3 334.508 2.271 10 0 EEAEHO COCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CCCCC1 ZINC001496314549 1100906673 /nfs/dbraw/zinc/90/66/73/1100906673.db2.gz OUYMUFBBTAUUPV-MSOLQXFVSA-N 1 3 339.524 2.160 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CNCc2cccnc2)C2CCCC2)C1 ZINC001446504369 1100953163 /nfs/dbraw/zinc/95/31/63/1100953163.db2.gz XJIUDSYRKUDHLK-QFBILLFUSA-N 1 3 344.503 2.188 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CNCc2cccnc2)C2CCCC2)C1 ZINC001446504369 1100953168 /nfs/dbraw/zinc/95/31/68/1100953168.db2.gz XJIUDSYRKUDHLK-QFBILLFUSA-N 1 3 344.503 2.188 10 0 EEAEHO CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1ccccn1 ZINC001496599216 1101200928 /nfs/dbraw/zinc/20/09/28/1101200928.db2.gz 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CC(C)N(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCc2ccccc2)C1 ZINC001496870159 1101645253 /nfs/dbraw/zinc/64/52/53/1101645253.db2.gz RDRCQCQNIKLWKB-VQTJNVASSA-N 1 3 343.515 2.492 10 0 EEAEHO CN(CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cncc(F)c1)C1CCC1 ZINC001496886129 1101667307 /nfs/dbraw/zinc/66/73/07/1101667307.db2.gz FBGFQOVGFXDVJW-MAUKXSAKSA-N 1 3 348.466 2.080 10 0 EEAEHO CCc1nc(CNC[C@H]2CCC[C@H]2NC(=O)CC[NH+](C)C)cs1 ZINC001496904807 1101697562 /nfs/dbraw/zinc/69/75/62/1101697562.db2.gz UYDWHGHQZOEIQC-UKRRQHHQSA-N 1 3 338.521 2.032 10 0 EEAEHO CN(CCC[N@H+](C)Cc1ccc(F)c(F)c1)C(=O)CN1CCCC1 ZINC001447373158 1102549484 /nfs/dbraw/zinc/54/94/84/1102549484.db2.gz BQBNWGPMEDDEDV-UHFFFAOYSA-N 1 3 339.430 2.341 10 0 EEAEHO CN(CCC[N@@H+](C)Cc1ccc(F)c(F)c1)C(=O)CN1CCCC1 ZINC001447373158 1102549495 /nfs/dbraw/zinc/54/94/95/1102549495.db2.gz BQBNWGPMEDDEDV-UHFFFAOYSA-N 1 3 339.430 2.341 10 0 EEAEHO CC[C@H](C(=O)NC1(C[NH2+]CC2CCCCC2)CCOCC1)N(C)C ZINC001447477583 1102719729 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340.471 2.123 10 0 EEAEHO CC[C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]Cc1cccnc1 ZINC001495068781 1104707654 /nfs/dbraw/zinc/70/76/54/1104707654.db2.gz KEVVQSYIZWQULQ-ZWKOTPCHSA-N 1 3 332.492 2.329 10 0 EEAEHO Cc1cncc(CNC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001497992936 1106750300 /nfs/dbraw/zinc/75/03/00/1106750300.db2.gz JPTRNKZWRCBSRH-AEFFLSMTSA-N 1 3 332.492 2.105 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCc2cccc(C)c2)C1)N(C)C ZINC001480623110 1106783612 /nfs/dbraw/zinc/78/36/12/1106783612.db2.gz PJZRWKUGXZYTQT-OALUTQOASA-N 1 3 331.504 2.458 10 0 EEAEHO CN(CCC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)[C@@H]1CCCN1C ZINC001498525519 1107674442 /nfs/dbraw/zinc/67/44/42/1107674442.db2.gz BLWNEUXWQZFZON-SFHVURJKSA-N 1 3 328.460 2.200 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ncccc1C ZINC001498657489 1107909893 /nfs/dbraw/zinc/90/98/93/1107909893.db2.gz JQAVXRVNUFKMQH-GOSISDBHSA-N 1 3 332.492 2.203 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@H](CNCc1ccc(F)cc1Cl)C1CC1 ZINC001498817702 1108159715 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1114171795 /nfs/dbraw/zinc/17/17/95/1114171795.db2.gz IGIHVKPQCBUMFG-HUUCEWRRSA-N 1 3 338.521 2.392 10 0 EEAEHO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)NCc1cncc(F)c1 ZINC001507160865 1115141457 /nfs/dbraw/zinc/14/14/57/1115141457.db2.gz GSUODXMVMFFMKJ-HNNXBMFYSA-N 1 3 336.455 2.033 10 0 EEAEHO Cc1ccncc1CN[C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001507160871 1115141482 /nfs/dbraw/zinc/14/14/82/1115141482.db2.gz GUYACDBRPQIKEG-HKUYNNGSSA-N 1 3 346.519 2.447 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001507163336 1115142509 /nfs/dbraw/zinc/14/25/09/1115142509.db2.gz UNVKCIVQUNTKLY-OLZOCXBDSA-N 1 3 338.323 2.347 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2cccnc2C)C(C)(C)C1 ZINC001507449447 1115276007 /nfs/dbraw/zinc/27/60/07/1115276007.db2.gz FDHMSAILTCTEHZ-KRWDZBQOSA-N 1 3 332.492 2.058 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2cccnc2C)C(C)(C)C1 ZINC001507449447 1115276011 /nfs/dbraw/zinc/27/60/11/1115276011.db2.gz FDHMSAILTCTEHZ-KRWDZBQOSA-N 1 3 332.492 2.058 10 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MTCGMNIRDMKYJZ-AABGKKOBSA-N 1 3 329.488 2.056 10 0 EEAEHO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CO1 ZINC000657496928 471153446 /nfs/dbraw/zinc/15/34/46/471153446.db2.gz TZZJERIODZRIDI-MOPGFXCFSA-N 1 3 345.487 2.041 10 0 EEAEHO CC[C@H]1C[C@@H](NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CO1 ZINC000657496928 471153455 /nfs/dbraw/zinc/15/34/55/471153455.db2.gz TZZJERIODZRIDI-MOPGFXCFSA-N 1 3 345.487 2.041 10 0 EEAEHO CN1CCN(Cc2ccc(C[NH2+][C@H]3COC4(CCC4)C3)cc2)CC1 ZINC000657841815 471240044 /nfs/dbraw/zinc/24/00/44/471240044.db2.gz GVPMXMQXEFCRCW-LJQANCHMSA-N 1 3 329.488 2.235 10 0 EEAEHO [NH3+]CC1(CCNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000652232055 471259537 /nfs/dbraw/zinc/25/95/37/471259537.db2.gz OYDWMADXDUMXNJ-ZWKOTPCHSA-N 1 3 342.487 2.031 10 0 EEAEHO Cc1ccccc1CN1CCCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652243693 471261214 /nfs/dbraw/zinc/26/12/14/471261214.db2.gz DQPXVUWXPDGUNE-UHFFFAOYSA-N 1 3 344.503 2.341 10 0 EEAEHO NC[C@H]1c2ccccc2CCN1C(=O)NCc1ccc(C[NH3+])cc1F ZINC000652268860 471264651 /nfs/dbraw/zinc/26/46/51/471264651.db2.gz OFEXKYHOZACROP-SFHVURJKSA-N 1 3 342.418 2.052 10 0 EEAEHO CC[NH+]1CCN(CCNc2ccnc3cc(F)c(OC)cc32)CC1 ZINC000663397461 471357482 /nfs/dbraw/zinc/35/74/82/471357482.db2.gz KLABXVLRJVCUGO-UHFFFAOYSA-N 1 3 332.423 2.432 10 0 EEAEHO Fc1cccc([C@H]2C[NH2+]CCN2Cc2nc3c(s2)CNCC3)c1 ZINC000663492663 471400395 /nfs/dbraw/zinc/40/03/95/471400395.db2.gz AWEXANYUJGOYSJ-OAHLLOKOSA-N 1 3 332.448 2.074 10 0 EEAEHO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659029276 471473782 /nfs/dbraw/zinc/47/37/82/471473782.db2.gz BBRVIYYHWZQDMO-MAUKXSAKSA-N 1 3 346.475 2.343 10 0 EEAEHO C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659029276 471473786 /nfs/dbraw/zinc/47/37/86/471473786.db2.gz BBRVIYYHWZQDMO-MAUKXSAKSA-N 1 3 346.475 2.343 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)N(C)C)cc1 ZINC000653106054 471489264 /nfs/dbraw/zinc/48/92/64/471489264.db2.gz REYFMSXRHXDBJC-FHWLQOOXSA-N 1 3 329.488 2.499 10 0 EEAEHO [NH3+]C[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)C(F)(F)F ZINC000655910507 471533419 /nfs/dbraw/zinc/53/34/19/471533419.db2.gz WHBRNEIXASQOAI-ZIAGYGMSSA-N 1 3 344.381 2.012 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C(C)C)C1CC1 ZINC000667014042 471623625 /nfs/dbraw/zinc/62/36/25/471623625.db2.gz MJASYTMESSWVLI-ROUUACIJSA-N 1 3 338.540 2.479 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C(C)C)C1CC1 ZINC000667014042 471623633 /nfs/dbraw/zinc/62/36/33/471623633.db2.gz MJASYTMESSWVLI-ROUUACIJSA-N 1 3 338.540 2.479 10 0 EEAEHO C[C@@]1(CNC(=O)NCC23CC(C2)C[NH2+]3)CCCN1Cc1ccccc1 ZINC000659484208 471650328 /nfs/dbraw/zinc/65/03/28/471650328.db2.gz PRZTUDIVPLVODU-SYYJFZTOSA-N 1 3 342.487 2.092 10 0 EEAEHO C[C@@]1(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000659484217 471650369 /nfs/dbraw/zinc/65/03/69/471650369.db2.gz QBUOOSYNFWCRGA-LMMKCTJWSA-N 1 3 348.466 2.122 10 0 EEAEHO C[C@@]1(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)CCC[N@H+]1Cc1ccccc1 ZINC000659484217 471650374 /nfs/dbraw/zinc/65/03/74/471650374.db2.gz QBUOOSYNFWCRGA-LMMKCTJWSA-N 1 3 348.466 2.122 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000659493151 471654173 /nfs/dbraw/zinc/65/41/73/471654173.db2.gz QWFGEMSWACMZDD-CGTJXYLNSA-N 1 3 332.492 2.322 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000654375050 471933479 /nfs/dbraw/zinc/93/34/79/471933479.db2.gz QWNCVBBOEOMLJT-NZSAHSFTSA-N 1 3 344.503 2.463 10 0 EEAEHO CCS(=O)(=O)Nc1ccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665281168 471989022 /nfs/dbraw/zinc/98/90/22/471989022.db2.gz WKQBTWXGZAVYGR-CZUORRHYSA-N 1 3 327.494 2.472 10 0 EEAEHO COc1ccc(OC)c([C@H]2CCCN2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662249308 472041519 /nfs/dbraw/zinc/04/15/19/472041519.db2.gz SUYGPUKBMRAVCC-DOTOQJQBSA-N 1 3 332.444 2.362 10 0 EEAEHO c1cc2c(c([C@H]3CCCN3C[C@H]3CCC4(C[NH2+]C4)O3)c1)OCCO2 ZINC000662255287 472044280 /nfs/dbraw/zinc/04/42/80/472044280.db2.gz BUHMUGNHYKCYEV-GDBMZVCRSA-N 1 3 330.428 2.116 10 0 EEAEHO CC[C@@H]1CC[C@H](C)N(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665764175 472176424 /nfs/dbraw/zinc/17/64/24/472176424.db2.gz XCYAYWRREGPWNM-YESZJQIVSA-N 1 3 326.529 2.479 10 0 EEAEHO CC[C@@H]1CC[C@H](C)N(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665764175 472176429 /nfs/dbraw/zinc/17/64/29/472176429.db2.gz XCYAYWRREGPWNM-YESZJQIVSA-N 1 3 326.529 2.479 10 0 EEAEHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000662684208 472205611 /nfs/dbraw/zinc/20/56/11/472205611.db2.gz BZQYOAANZHBLBK-RBUKOAKNSA-N 1 3 337.423 2.173 10 0 EEAEHO C[C@H](CC(=O)Nc1ccc([C@H]2CNCCO2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000662687515 472207351 /nfs/dbraw/zinc/20/73/51/472207351.db2.gz ZHXCVFXWDCSIRQ-QGPMSJSTSA-N 1 3 331.460 2.312 10 0 EEAEHO CC(C)([NH3+])c1cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)on1 ZINC000662737576 472229002 /nfs/dbraw/zinc/22/90/02/472229002.db2.gz OOCGOTKQOBHSMQ-OAHLLOKOSA-N 1 3 342.443 2.263 10 0 EEAEHO [NH3+]C1(CC(=O)NCCCOC2CCN(Cc3ccccc3)CC2)CC1 ZINC000662752267 472235776 /nfs/dbraw/zinc/23/57/76/472235776.db2.gz HAOWHLDPVRIOIA-UHFFFAOYSA-N 1 3 345.487 2.055 10 0 EEAEHO C[C@H](CCNC(=O)N[C@@H]1CCCN(C)C1)[N@H+](C)Cc1ccccc1 ZINC000673771264 485524943 /nfs/dbraw/zinc/52/49/43/485524943.db2.gz GMIFHFDOGPEJFI-SJLPKXTDSA-N 1 3 332.492 2.290 10 0 EEAEHO C[C@H](CCNC(=O)N[C@@H]1CCCN(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000673771264 485524951 /nfs/dbraw/zinc/52/49/51/485524951.db2.gz GMIFHFDOGPEJFI-SJLPKXTDSA-N 1 3 332.492 2.290 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1c2ccccc2C[C@@H]1C ZINC000665637054 485611939 /nfs/dbraw/zinc/61/19/39/485611939.db2.gz RZIKIXOCHQLZEF-HOTGVXAUSA-N 1 3 332.492 2.419 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1c2ccccc2C[C@@H]1C ZINC000665637054 485611945 /nfs/dbraw/zinc/61/19/45/485611945.db2.gz RZIKIXOCHQLZEF-HOTGVXAUSA-N 1 3 332.492 2.419 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc2)CC1 ZINC000743586555 577887498 /nfs/dbraw/zinc/88/74/98/577887498.db2.gz CEOOOWQZCOLDKF-IBGZPJMESA-N 1 3 346.519 2.145 10 0 EEAEHO CC[C@@H]([NH2+]C[C@@H](C)CN1CCN(CC)CC1)c1cccc(OC)n1 ZINC000924953178 681919229 /nfs/dbraw/zinc/91/92/29/681919229.db2.gz QAVDNNMOUYWKEH-IAGOWNOFSA-N 1 3 334.508 2.405 10 0 EEAEHO C[C@@H]1CN(Cc2ccc(-n3cncn3)cc2)CCN1c1cc[nH+]cc1 ZINC000895556269 684641265 /nfs/dbraw/zinc/64/12/65/684641265.db2.gz GPTZQSDBQQGMOG-MRXNPFEDSA-N 1 3 334.427 2.373 10 0 EEAEHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000927004068 693142164 /nfs/dbraw/zinc/14/21/64/693142164.db2.gz CUUZVFSURRCOTF-ONXXMXGDSA-N 1 3 339.281 2.065 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3C)C[C@H]21 ZINC001485624102 1191866959 /nfs/dbraw/zinc/86/69/59/1191866959.db2.gz PYXUBVBLODSAQH-LDLYASANSA-N 1 3 329.488 2.131 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccccc3C)C[C@H]21 ZINC001485624102 1191866961 /nfs/dbraw/zinc/86/69/61/1191866961.db2.gz PYXUBVBLODSAQH-LDLYASANSA-N 1 3 329.488 2.131 10 0 EEAEHO CN(CC[NH2+]Cc1cccc(C(F)F)c1)C(=O)[C@@H]1CCCN1C ZINC001266660893 1177079129 /nfs/dbraw/zinc/07/91/29/1177079129.db2.gz VZNCVKOOFXWWFS-HNNXBMFYSA-N 1 3 325.403 2.266 10 0 EEAEHO CN(CCNCc1ccc(Cl)s1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691322100 1177907369 /nfs/dbraw/zinc/90/73/69/1177907369.db2.gz WJIZGMFDHLZTSC-CQSZACIVSA-N 1 3 341.908 2.291 10 0 EEAEHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)NCc1ccc(Cl)nc1 ZINC001266994057 1178050672 /nfs/dbraw/zinc/05/06/72/1178050672.db2.gz ILMXEGHMOXNRJJ-AWEZNQCLSA-N 1 3 338.883 2.205 10 0 EEAEHO Cc1nc(C)c(C[N@@H+](CCCNC(=O)CN2CCCC2)C(C)C)o1 ZINC001267340574 1178789122 /nfs/dbraw/zinc/78/91/22/1178789122.db2.gz NGAPEIXGYLVEFQ-UHFFFAOYSA-N 1 3 336.480 2.104 10 0 EEAEHO Cc1nc(C)c(C[N@H+](CCCNC(=O)CN2CCCC2)C(C)C)o1 ZINC001267340574 1178789127 /nfs/dbraw/zinc/78/91/27/1178789127.db2.gz NGAPEIXGYLVEFQ-UHFFFAOYSA-N 1 3 336.480 2.104 10 0 EEAEHO COCCC[NH2+]C(C)C1CCN(C(=O)c2cc(N(C)C)ccn2)CC1 ZINC001267495238 1179176063 /nfs/dbraw/zinc/17/60/63/1179176063.db2.gz OAPPWOXBPQZMCK-OAHLLOKOSA-N 1 3 348.491 2.014 10 0 EEAEHO CCOCCN1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001481072022 1179675422 /nfs/dbraw/zinc/67/54/22/1179675422.db2.gz VFDWQWRXBNMXIR-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2CC[NH2+]Cc2ccccn2)C1 ZINC001268164642 1181890417 /nfs/dbraw/zinc/89/04/17/1181890417.db2.gz YEDDABWHWLFZJM-HKUYNNGSSA-N 1 3 344.503 2.284 10 0 EEAEHO CCCN(C)CC(=O)NCC1C[NH+](CC[C@H]2CCCC2(F)F)C1 ZINC001481656074 1182141160 /nfs/dbraw/zinc/14/11/60/1182141160.db2.gz NQBSZDRWCHQLND-OAHLLOKOSA-N 1 3 331.451 2.202 10 0 EEAEHO Cc1cc(F)ccc1C[NH2+]CC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001268400394 1182491938 /nfs/dbraw/zinc/49/19/38/1182491938.db2.gz WSIYUGVUDXBDNT-HOCLYGCPSA-N 1 3 335.467 2.460 10 0 EEAEHO CCN(CC[NH2+]C[C@H]1CCc2ccccc2C1)C(=O)[C@H]1CCCN1C ZINC001268439376 1182614786 /nfs/dbraw/zinc/61/47/86/1182614786.db2.gz OKYNGGCUXIDPNF-FXAWDEMLSA-N 1 3 343.515 2.324 10 0 EEAEHO CCN(CCNCc1ccc(C)c(F)c1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268451650 1182646420 /nfs/dbraw/zinc/64/64/20/1182646420.db2.gz NRIRWVSFBUGIFN-NVXWUHKLSA-N 1 3 335.467 2.412 10 0 EEAEHO CCN(CCNCc1ccc(C)c(F)c1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268451650 1182646423 /nfs/dbraw/zinc/64/64/23/1182646423.db2.gz NRIRWVSFBUGIFN-NVXWUHKLSA-N 1 3 335.467 2.412 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C\C[NH2+]CC1CCC(F)(F)CC1 ZINC001268626187 1183545244 /nfs/dbraw/zinc/54/52/44/1183545244.db2.gz YVNBDUDYYPHFTC-UPHRSURJSA-N 1 3 329.435 2.170 10 0 EEAEHO C[C@@H](CNCc1ccc(Cl)nc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268697469 1183618583 /nfs/dbraw/zinc/61/85/83/1183618583.db2.gz DBCSBTXXSQKUAE-ZDUSSCGKSA-N 1 3 338.883 2.204 10 0 EEAEHO CC(C)OCC[NH2+]CC[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001269741886 1184576742 /nfs/dbraw/zinc/57/67/42/1184576742.db2.gz QIQGDDGDVNNHMZ-KRWDZBQOSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CCc1ccccc1 ZINC001270478617 1185121490 /nfs/dbraw/zinc/12/14/90/1185121490.db2.gz SRMULYQTIDQPGV-KRWDZBQOSA-N 1 3 331.504 2.445 10 0 EEAEHO Cc1oncc1CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485824000 1193450088 /nfs/dbraw/zinc/45/00/88/1193450088.db2.gz FHCFMVZSJLQBFZ-QANKJYHBSA-N 1 3 348.491 2.040 10 0 EEAEHO Cc1oncc1CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001485824000 1193450090 /nfs/dbraw/zinc/45/00/90/1193450090.db2.gz FHCFMVZSJLQBFZ-QANKJYHBSA-N 1 3 348.491 2.040 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1ccc(C)nc1C ZINC001483015270 1188002151 /nfs/dbraw/zinc/00/21/51/1188002151.db2.gz HFRUNVYEYLMHMF-ZMBJWTFHSA-N 1 3 344.503 2.335 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1ccc(C)nc1C ZINC001483015270 1188002156 /nfs/dbraw/zinc/00/21/56/1188002156.db2.gz HFRUNVYEYLMHMF-ZMBJWTFHSA-N 1 3 344.503 2.335 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCOc1ccccc1C ZINC001691622958 1188323096 /nfs/dbraw/zinc/32/30/96/1188323096.db2.gz FZZZZESNEDKNGH-GOSISDBHSA-N 1 3 347.503 2.296 10 0 EEAEHO Cc1cccnc1CN[C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001409348541 1189556379 /nfs/dbraw/zinc/55/63/79/1189556379.db2.gz DKYJGCNQJJXBHH-CVEARBPZSA-N 1 3 332.492 2.247 10 0 EEAEHO Cc1nsc(C)c1CN[C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485918994 1193639691 /nfs/dbraw/zinc/63/96/91/1193639691.db2.gz FRWCFLVFASLVOW-MLGOLLRUSA-N 1 3 340.537 2.283 10 0 EEAEHO CN(CCC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)[C@@H]1CCCN1C ZINC001483455934 1190484965 /nfs/dbraw/zinc/48/49/65/1190484965.db2.gz IMRORQHIBCVASW-GJZGRUSLSA-N 1 3 331.451 2.344 10 0 EEAEHO Cc1oncc1CNC[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001483591565 1190574939 /nfs/dbraw/zinc/57/49/39/1190574939.db2.gz FKEOMQGOLVJYOG-KDOFPFPSSA-N 1 3 348.491 2.232 10 0 EEAEHO Cc1nc(C)c(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C(C)C)C2)s1 ZINC001486133656 1193690506 /nfs/dbraw/zinc/69/05/06/1193690506.db2.gz FNQQMKXQXHWIPL-SWLSCSKDSA-N 1 3 338.521 2.179 10 0 EEAEHO Cc1ncc(CNCC[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)o1 ZINC001272652185 1190961561 /nfs/dbraw/zinc/96/15/61/1190961561.db2.gz JWWPOAMQEYWSCJ-KRWDZBQOSA-N 1 3 348.491 2.187 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CCCOC)C1 ZINC001483800752 1191042229 /nfs/dbraw/zinc/04/22/29/1191042229.db2.gz BONVSDDOKFANOH-ROUUACIJSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H]1CC[N@@H+](CCCOC)C1 ZINC001483800752 1191042231 /nfs/dbraw/zinc/04/22/31/1191042231.db2.gz BONVSDDOKFANOH-ROUUACIJSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(C)noc1C)C2 ZINC001484321667 1191304046 /nfs/dbraw/zinc/30/40/46/1191304046.db2.gz PZFHAHSMGVOTLP-ULQDDVLXSA-N 1 3 348.491 2.102 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(C)noc1C)C2 ZINC001484321667 1191304048 /nfs/dbraw/zinc/30/40/48/1191304048.db2.gz PZFHAHSMGVOTLP-ULQDDVLXSA-N 1 3 348.491 2.102 10 0 EEAEHO CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cncs2)C1)N(C)C ZINC001484550512 1191409867 /nfs/dbraw/zinc/40/98/67/1191409867.db2.gz UGHLFNZZPKZZDO-GOEBONIOSA-N 1 3 338.521 2.058 10 0 EEAEHO C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)NCc1ccns1 ZINC001485163692 1191675380 /nfs/dbraw/zinc/67/53/80/1191675380.db2.gz PYFNSWWLMACCQR-UONOGXRCSA-N 1 3 336.505 2.002 10 0 EEAEHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C)C[C@H]21)N(C)C ZINC001410051443 1197526680 /nfs/dbraw/zinc/52/66/80/1197526680.db2.gz DQBJQQHCZVCURA-AKHDSKFASA-N 1 3 347.478 2.268 10 0 EEAEHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C)C[C@H]21)N(C)C ZINC001410051443 1197526684 /nfs/dbraw/zinc/52/66/84/1197526684.db2.gz DQBJQQHCZVCURA-AKHDSKFASA-N 1 3 347.478 2.268 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC001410505778 1198063360 /nfs/dbraw/zinc/06/33/60/1198063360.db2.gz KLMKUJXIFDMWNO-INIZCTEOSA-N 1 3 347.503 2.036 10 0 EEAEHO Cc1oc2ccccc2c1CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872254842 1198113324 /nfs/dbraw/zinc/11/33/24/1198113324.db2.gz DNAPSLQPEPKTCG-QBIMZIAESA-N 1 3 341.411 2.108 10 0 EEAEHO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)cc1 ZINC001410840575 1198489219 /nfs/dbraw/zinc/48/92/19/1198489219.db2.gz DNCNHFGLWDTKQX-WBVHZDCISA-N 1 3 333.476 2.114 10 0 EEAEHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CC[C@@H]21 ZINC000810580040 1199605133 /nfs/dbraw/zinc/60/51/33/1199605133.db2.gz LOEBGUXMPPXKLX-RVKKMQEKSA-N 1 3 325.472 2.142 10 0 EEAEHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CC[C@@H]21 ZINC000810580040 1199605135 /nfs/dbraw/zinc/60/51/35/1199605135.db2.gz LOEBGUXMPPXKLX-RVKKMQEKSA-N 1 3 325.472 2.142 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001274430651 1205033841 /nfs/dbraw/zinc/03/38/41/1205033841.db2.gz QPJALBKCIQQCTC-XVXNLHAJSA-N 1 3 342.487 2.169 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001274430651 1205033845 /nfs/dbraw/zinc/03/38/45/1205033845.db2.gz QPJALBKCIQQCTC-XVXNLHAJSA-N 1 3 342.487 2.169 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001274430649 1205033868 /nfs/dbraw/zinc/03/38/68/1205033868.db2.gz QPJALBKCIQQCTC-GDIRUBCPSA-N 1 3 342.487 2.169 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001274430649 1205033870 /nfs/dbraw/zinc/03/38/70/1205033870.db2.gz QPJALBKCIQQCTC-GDIRUBCPSA-N 1 3 342.487 2.169 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000925327434 1206097753 /nfs/dbraw/zinc/09/77/53/1206097753.db2.gz QJBSKKZBCUHZTB-NEWSRXKRSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000925327434 1206097755 /nfs/dbraw/zinc/09/77/55/1206097755.db2.gz QJBSKKZBCUHZTB-NEWSRXKRSA-N 1 3 344.503 2.385 10 0 EEAEHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000925394653 1206106255 /nfs/dbraw/zinc/10/62/55/1206106255.db2.gz WADFLEVBLIZZPV-XEWABKELSA-N 1 3 327.472 2.286 10 0 EEAEHO [NH3+][C@@H]1C[C@H](NC[C@H]2CSCCN2Cc2ccccc2)C12CCC2 ZINC000925650136 1206139823 /nfs/dbraw/zinc/13/98/23/1206139823.db2.gz MSMUZJHLVZVVJY-KSZLIROESA-N 1 3 331.529 2.464 10 0 EEAEHO Cc1c([C@@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cnn1C(C)C ZINC000925849066 1206160062 /nfs/dbraw/zinc/16/00/62/1206160062.db2.gz HGSJLOYDANJBJR-HIFRSBDPSA-N 1 3 334.464 2.108 10 0 EEAEHO COc1ccc(C)cc1[C@@H](C)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925852993 1206160973 /nfs/dbraw/zinc/16/09/73/1206160973.db2.gz JDLYNXGGGQDSIX-CABCVRRESA-N 1 3 332.444 2.340 10 0 EEAEHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc3cc[nH]c3c1)C2 ZINC000930601663 1206569633 /nfs/dbraw/zinc/56/96/33/1206569633.db2.gz JRUCEVDYHKKFBH-XLIONFOSSA-N 1 3 343.471 2.325 10 0 EEAEHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc3cc[nH]c3c1)C2 ZINC000930601663 1206569635 /nfs/dbraw/zinc/56/96/35/1206569635.db2.gz JRUCEVDYHKKFBH-XLIONFOSSA-N 1 3 343.471 2.325 10 0 EEAEHO Cc1cc(CNCCC2(O)CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000718012852 1211701462 /nfs/dbraw/zinc/70/14/62/1211701462.db2.gz YEODCWOXNJDALE-UHFFFAOYSA-N 1 3 342.487 2.235 10 0 EEAEHO [NH3+][C@@H]1CC[C@H](CN2CCN(C(=O)CCCc3ccccc3)CC2)C1 ZINC000903434827 1240463410 /nfs/dbraw/zinc/46/34/10/1240463410.db2.gz LDBZJHVGAGMAPH-RBUKOAKNSA-N 1 3 329.488 2.281 10 0 EEAEHO CCN(CCNCc1cncc(C)c1)C(=O)CC[NH+]1CCCCC1 ZINC001273765875 1285160237 /nfs/dbraw/zinc/16/02/37/1285160237.db2.gz SURALDZZNPQDGC-UHFFFAOYSA-N 1 3 332.492 2.204 10 0 EEAEHO CCOCCN1CCC(N(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001490422771 1291334194 /nfs/dbraw/zinc/33/41/94/1291334194.db2.gz SLPVHUOPWOUMQC-WMZOPIPTSA-N 1 3 339.524 2.066 10 0 EEAEHO c1[nH]nc2c1CCC[C@@H]2[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000857848354 1293929799 /nfs/dbraw/zinc/92/97/99/1293929799.db2.gz HYZXIDWPKJERAT-SFHVURJKSA-N 1 3 326.444 2.409 10 0 EEAEHO CN1CCN(Cc2ccccc2)[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000694751948 1304134423 /nfs/dbraw/zinc/13/44/23/1304134423.db2.gz KWYXDRMAYVJMOP-VTHDOGFWSA-N 1 3 342.531 2.017 10 0 EEAEHO CN1CCN(Cc2ccccc2)[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000694751948 1304134427 /nfs/dbraw/zinc/13/44/27/1304134427.db2.gz KWYXDRMAYVJMOP-VTHDOGFWSA-N 1 3 342.531 2.017 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N(C2CC2)C2CC[NH2+]CC2)cc(Cl)n1 ZINC000841847113 1315621960 /nfs/dbraw/zinc/62/19/60/1315621960.db2.gz ZJOVRXXSSIXVGM-OAHLLOKOSA-N 1 3 336.867 2.176 10 0 EEAEHO C[NH+](C)CCc1ccc(C(=O)N[C@H](CNCCF)C(C)(C)C)cc1 ZINC001279003274 1318970945 /nfs/dbraw/zinc/97/09/45/1318970945.db2.gz VMRQIIJGLYPOOT-QGZVFWFLSA-N 1 3 337.483 2.494 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC(F)(F)F)N(C)C ZINC001263993327 1322579890 /nfs/dbraw/zinc/57/98/90/1322579890.db2.gz AHELVVMAPPBCCK-HZSPNIEDSA-N 1 3 337.430 2.496 10 0 EEAEHO C[NH+](C)CCCC(=O)NC[C@H]1C[C@H](NCc2cccc(Cl)n2)C1 ZINC001264430851 1322700104 /nfs/dbraw/zinc/70/01/04/1322700104.db2.gz PHHZJVKTKGKXFH-CTYIDZIISA-N 1 3 338.883 2.061 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCCOC)C1 ZINC001264685590 1322783661 /nfs/dbraw/zinc/78/36/61/1322783661.db2.gz LYBWBABCHMLPEK-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO COCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@H]1C ZINC001264721131 1322792999 /nfs/dbraw/zinc/79/29/99/1322792999.db2.gz GSMNXNRZBZWUSS-SQNIBIBYSA-N 1 3 339.524 2.257 10 0 EEAEHO COCCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@H]1C ZINC001264721131 1322793003 /nfs/dbraw/zinc/79/30/03/1322793003.db2.gz GSMNXNRZBZWUSS-SQNIBIBYSA-N 1 3 339.524 2.257 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCN(C)Cc1cccnc1C ZINC001264993410 1322841875 /nfs/dbraw/zinc/84/18/75/1322841875.db2.gz LOASYHNGZIDBRC-GOSISDBHSA-N 1 3 332.492 2.203 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCCN(C)Cc1cccnc1C ZINC001264993410 1322841879 /nfs/dbraw/zinc/84/18/79/1322841879.db2.gz LOASYHNGZIDBRC-GOSISDBHSA-N 1 3 332.492 2.203 10 0 EEAEHO CC[N@H+](CCCNC(=O)CN1CCCC1)Cc1ccnc(Cl)c1 ZINC001265145884 1322948200 /nfs/dbraw/zinc/94/82/00/1322948200.db2.gz DOTJBFUKFZXZRJ-UHFFFAOYSA-N 1 3 338.883 2.159 10 0 EEAEHO CC[N@@H+](CCCNC(=O)CN1CCCC1)Cc1ccnc(Cl)c1 ZINC001265145884 1322948202 /nfs/dbraw/zinc/94/82/02/1322948202.db2.gz DOTJBFUKFZXZRJ-UHFFFAOYSA-N 1 3 338.883 2.159 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCO[C@H]2CCCC[C@H]2C)C1 ZINC001265509229 1323189669 /nfs/dbraw/zinc/18/96/69/1323189669.db2.gz WRJZHKVLRQMFGN-TVFCKZIOSA-N 1 3 339.524 2.159 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001265636210 1323285455 /nfs/dbraw/zinc/28/54/55/1323285455.db2.gz FRVSTXSYJQBBML-HPRJGHKQSA-N 1 3 327.900 2.442 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001279586929 1323948107 /nfs/dbraw/zinc/94/81/07/1323948107.db2.gz KGMFTQVKTVOZEH-JKSUJKDBSA-N 1 3 348.491 2.179 10 0 EEAEHO CCOCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001279586929 1323948108 /nfs/dbraw/zinc/94/81/08/1323948108.db2.gz KGMFTQVKTVOZEH-JKSUJKDBSA-N 1 3 348.491 2.179 10 0 EEAEHO Cc1ncoc1CNCC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001280043614 1324067171 /nfs/dbraw/zinc/06/71/71/1324067171.db2.gz ZTVUOJWTJHDYPW-IAGOWNOFSA-N 1 3 348.491 2.184 10 0 EEAEHO Cc1ncoc1CNCC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001280043614 1324067177 /nfs/dbraw/zinc/06/71/77/1324067177.db2.gz ZTVUOJWTJHDYPW-IAGOWNOFSA-N 1 3 348.491 2.184 10 0 EEAEHO CCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001281968447 1325542426 /nfs/dbraw/zinc/54/24/26/1325542426.db2.gz NCKWIMXNVWJEKB-IBGZPJMESA-N 1 3 347.503 2.321 10 0 EEAEHO CCOCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001281968447 1325542433 /nfs/dbraw/zinc/54/24/33/1325542433.db2.gz NCKWIMXNVWJEKB-IBGZPJMESA-N 1 3 347.503 2.321 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(Cl)n2)C1 ZINC001283101074 1325919538 /nfs/dbraw/zinc/91/95/38/1325919538.db2.gz DAKBNICGBRTTHV-CTYIDZIISA-N 1 3 338.883 2.061 10 0 EEAEHO CCOCCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC001283939541 1326329409 /nfs/dbraw/zinc/32/94/09/1326329409.db2.gz MVEFEGAYBIMLNO-APWZRJJASA-N 1 3 347.503 2.367 10 0 EEAEHO COCCCC[NH+]1CCC([C@@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001284686417 1326666690 /nfs/dbraw/zinc/66/66/90/1326666690.db2.gz PRCIKZLFNZAJGE-MRXNPFEDSA-N 1 3 339.524 2.114 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@@H](NCc2nccs2)C1 ZINC001491891742 1330291940 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Cc1oncc1C[N@@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@H](C)C1 ZINC001317437791 1332240651 /nfs/dbraw/zinc/24/06/51/1332240651.db2.gz XKYVYKYLOHVZEA-MAUKXSAKSA-N 1 3 348.491 2.186 10 0 EEAEHO COc1ccc(C)cc1C[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001317600589 1332319364 /nfs/dbraw/zinc/31/93/64/1332319364.db2.gz LAPHVTJMFMRJAH-KRWDZBQOSA-N 1 3 333.476 2.036 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]Cc2cncc(F)c2)C1 ZINC001318819226 1332603728 /nfs/dbraw/zinc/60/37/28/1332603728.db2.gz DBDLNDBTMGPNES-CRAIPNDOSA-N 1 3 348.466 2.033 10 0 EEAEHO Cc1csc(CNCC[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001318830418 1332606513 /nfs/dbraw/zinc/60/65/13/1332606513.db2.gz FMPCYUNXRHAFDF-OAHLLOKOSA-N 1 3 338.521 2.122 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2conc2C)C1)N(C)C ZINC001318852592 1332611818 /nfs/dbraw/zinc/61/18/18/1332611818.db2.gz WYGLFTDVFIBALD-RDJZCZTQSA-N 1 3 336.480 2.042 10 0 EEAEHO CCN(CC[NH2+]Cc1sc(C)nc1C)C(=O)C1(N(C)C)CCC1 ZINC001320755494 1332946140 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CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCCC(C)(C)C ZINC001331806215 1335646335 /nfs/dbraw/zinc/64/63/35/1335646335.db2.gz WSFJSCZXKWLPFF-IRXDYDNUSA-N 1 3 341.540 2.142 10 0 EEAEHO CCN(CCNCc1cncc(C)c1)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001668652087 1355980348 /nfs/dbraw/zinc/98/03/48/1355980348.db2.gz HMDCUAKJIAKPRR-LJQANCHMSA-N 1 3 346.519 2.449 10 0 EEAEHO Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001566773799 1342628652 /nfs/dbraw/zinc/62/86/52/1342628652.db2.gz RFKJKOVLJCGFET-ICSRJNTNSA-N 1 3 343.515 2.460 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCO)c1ccccc1 ZINC001567663051 1342808207 /nfs/dbraw/zinc/80/82/07/1342808207.db2.gz FUOGXLJYQIMNEB-MOPGFXCFSA-N 1 3 347.503 2.079 10 0 EEAEHO CC(C)OCCC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001571558626 1343237488 /nfs/dbraw/zinc/23/74/88/1343237488.db2.gz NWGDKQFUPHFOAH-KRWDZBQOSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001676423300 1357148668 /nfs/dbraw/zinc/14/86/68/1357148668.db2.gz CZNWKHSFNBNVOZ-KBPBESRZSA-N 1 3 338.883 2.013 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cncs1 ZINC001649469459 1353522748 /nfs/dbraw/zinc/52/27/48/1353522748.db2.gz GOLRIKPULIUCTN-GOEBONIOSA-N 1 3 338.521 2.392 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)CC(C)(C)C1 ZINC001657106153 1354328352 /nfs/dbraw/zinc/32/83/52/1354328352.db2.gz MQBRRYXJRZGQMR-DLBZAZTESA-N 1 3 341.540 2.360 10 0 EEAEHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)CC(C)(C)C1 ZINC001657106153 1354328354 /nfs/dbraw/zinc/32/83/54/1354328354.db2.gz MQBRRYXJRZGQMR-DLBZAZTESA-N 1 3 341.540 2.360 10 0 EEAEHO CCc1ccccc1CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001662609052 1354812464 /nfs/dbraw/zinc/81/24/64/1354812464.db2.gz WAUSNCBNNIBPJQ-PXNSSMCTSA-N 1 3 343.515 2.324 10 0 EEAEHO Cc1ncoc1CN[C@H]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001662791727 1354847802 /nfs/dbraw/zinc/84/78/02/1354847802.db2.gz ROVNUKHJAJZTAC-JKSUJKDBSA-N 1 3 336.480 2.232 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001666655965 1355560604 /nfs/dbraw/zinc/56/06/04/1355560604.db2.gz GABYMYMQLUTBAY-JQWIXIFHSA-N 1 3 347.290 2.186 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N[C@H](CNCCF)C2CCCCC2)CC[N@@H+]1C ZINC001667140778 1355656717 /nfs/dbraw/zinc/65/67/17/1355656717.db2.gz YYLQRDULTAYVKY-BHYGNILZSA-N 1 3 327.488 2.341 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N[C@H](CNCCF)C2CCCCC2)CC[N@H+]1C ZINC001667140778 1355656720 /nfs/dbraw/zinc/65/67/20/1355656720.db2.gz YYLQRDULTAYVKY-BHYGNILZSA-N 1 3 327.488 2.341 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)c(F)c1)N(C)C ZINC001668108017 1355873517 /nfs/dbraw/zinc/87/35/17/1355873517.db2.gz YCDBUZFEOZOPDB-BLLLJJGKSA-N 1 3 327.419 2.289 10 0 EEAEHO Cc1nocc1CNCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001668118027 1355875722 /nfs/dbraw/zinc/87/57/22/1355875722.db2.gz PPRBCSUQBMCOPO-WMLDXEAASA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1nocc1CNCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001668118027 1355875727 /nfs/dbraw/zinc/87/57/27/1355875727.db2.gz PPRBCSUQBMCOPO-WMLDXEAASA-N 1 3 336.480 2.088 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/CNCc1cncc(C)c1 ZINC001668852933 1356023123 /nfs/dbraw/zinc/02/31/23/1356023123.db2.gz AYEGTBTZPLZBIQ-WRFKIARRSA-N 1 3 330.476 2.026 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C/CNCc1cncc(C)c1 ZINC001668852933 1356023128 /nfs/dbraw/zinc/02/31/28/1356023128.db2.gz AYEGTBTZPLZBIQ-WRFKIARRSA-N 1 3 330.476 2.026 10 0 EEAEHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCOC1CCCCCC1 ZINC001673904694 1356757873 /nfs/dbraw/zinc/75/78/73/1356757873.db2.gz MYUGFNDCSBSVCL-QAPCUYQASA-N 1 3 348.491 2.128 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001675785856 1357049230 /nfs/dbraw/zinc/04/92/30/1357049230.db2.gz MFAVMAMBUHOMQM-YRGRVCCFSA-N 1 3 336.307 2.376 10 0 EEAEHO CCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C(F)(F)F ZINC001691935069 1404966495 /nfs/dbraw/zinc/96/64/95/1404966495.db2.gz BEMONGFWIRMDAJ-GXTWGEPZSA-N 1 3 346.397 2.369 10 0 EEAEHO CCCN(C)CC(=O)N1CCC(CC[NH2+]Cc2cnccc2C)CC1 ZINC001698701178 1405018345 /nfs/dbraw/zinc/01/83/45/1405018345.db2.gz JKYORJDSKWVOBM-UHFFFAOYSA-N 1 3 346.519 2.450 10 0 EEAEHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCCCCF ZINC001698898232 1405138530 /nfs/dbraw/zinc/13/85/30/1405138530.db2.gz MTLQQVYDXZZAKP-HOTGVXAUSA-N 1 3 327.488 2.437 10 0 EEAEHO CN(C)C(=O)COc1cccc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925475274 770470983 /nfs/dbraw/zinc/47/09/83/770470983.db2.gz LESPDBKBPYMMNN-HOTGVXAUSA-N 1 3 333.476 2.149 10 0 EEAEHO C[C@H](CCNC(=O)N[C@H]1CCN(C)[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000921161870 770987443 /nfs/dbraw/zinc/98/74/43/770987443.db2.gz GFEFHIVDCTVSQO-RYRKJORJSA-N 1 3 332.492 2.289 10 0 EEAEHO C[C@H](CCNC(=O)N[C@H]1CCN(C)[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000921161870 770987450 /nfs/dbraw/zinc/98/74/50/770987450.db2.gz GFEFHIVDCTVSQO-RYRKJORJSA-N 1 3 332.492 2.289 10 0 EEAEHO C[C@@H]1CN(C[C@@H](O)c2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC000923490544 789659817 /nfs/dbraw/zinc/65/98/17/789659817.db2.gz DMJFAFCZCMWEPH-OSAQELSMSA-N 1 3 327.266 2.399 10 0 EEAEHO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503634 789699952 /nfs/dbraw/zinc/69/99/52/789699952.db2.gz JVFXKONSNHPOGT-UGVHPLNOSA-N 1 3 333.520 2.377 10 0 EEAEHO Cc1nn(C)c(CNCC2CC[NH+](C3CCOCC3)CC2)c1Cl ZINC000922235806 799979214 /nfs/dbraw/zinc/97/92/14/799979214.db2.gz ZPXJDNZCEMLFOZ-UHFFFAOYSA-N 1 3 340.899 2.363 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1C)N1CCCCC1 ZINC001436491406 1087988980 /nfs/dbraw/zinc/98/89/80/1087988980.db2.gz TWRZCMUSMOOSHV-IXDOHACOSA-N 1 3 327.488 2.436 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCCF)[C@@H]1C)N1CCCCC1 ZINC001436491406 1087988990 /nfs/dbraw/zinc/98/89/90/1087988990.db2.gz TWRZCMUSMOOSHV-IXDOHACOSA-N 1 3 327.488 2.436 10 0 EEAEHO C[C@@H](c1cnccn1)N1CC[C@@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001436499514 1088020642 /nfs/dbraw/zinc/02/06/42/1088020642.db2.gz NKZMPPXOHZOODI-JKSUJKDBSA-N 1 3 347.507 2.096 10 0 EEAEHO Cc1ncsc1CN[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001437261829 1089405289 /nfs/dbraw/zinc/40/52/89/1089405289.db2.gz DUKFZBPXPHGZOF-CJNGLKHVSA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1nc(CN[C@H](C)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)c(C)s1 ZINC001437404656 1089680606 /nfs/dbraw/zinc/68/06/06/1089680606.db2.gz RYOLZIONLWFYCX-CHWSQXEVSA-N 1 3 338.521 2.086 10 0 EEAEHO Cc1nc(CN[C@H](C)CCNC(=O)C[N@H+]2CC[C@@H](C)C2)c(C)s1 ZINC001437404656 1089680616 /nfs/dbraw/zinc/68/06/16/1089680616.db2.gz RYOLZIONLWFYCX-CHWSQXEVSA-N 1 3 338.521 2.086 10 0 EEAEHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1)CC(C)(C)C ZINC001438443071 1090946307 /nfs/dbraw/zinc/94/63/07/1090946307.db2.gz RMOAZMFXSUCDAT-ULQDDVLXSA-N 1 3 339.524 2.018 10 0 EEAEHO COc1ccc(C)cc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCCN1C ZINC001438659903 1091148636 /nfs/dbraw/zinc/14/86/36/1091148636.db2.gz GUVFWALIQVMUJV-FUHWJXTLSA-N 1 3 347.503 2.424 10 0 EEAEHO CN(CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)Cc1ccc2c(c1)CCC2 ZINC001438931994 1091614770 /nfs/dbraw/zinc/61/47/70/1091614770.db2.gz LMICDCVYBPJAOM-SFHVURJKSA-N 1 3 343.515 2.407 10 0 EEAEHO CN(CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1ccc2c(c1)CCC2 ZINC001438931994 1091614775 /nfs/dbraw/zinc/61/47/75/1091614775.db2.gz LMICDCVYBPJAOM-SFHVURJKSA-N 1 3 343.515 2.407 10 0 EEAEHO CN(CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(C2CC2)cc1 ZINC001438935338 1091618475 /nfs/dbraw/zinc/61/84/75/1091618475.db2.gz CFPLPUFNEWZWGS-IBGZPJMESA-N 1 3 329.488 2.406 10 0 EEAEHO CN(CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(C2CC2)cc1 ZINC001438935338 1091618479 /nfs/dbraw/zinc/61/84/79/1091618479.db2.gz CFPLPUFNEWZWGS-IBGZPJMESA-N 1 3 329.488 2.406 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001439828126 1092817993 /nfs/dbraw/zinc/81/79/93/1092817993.db2.gz JHPVJIHJUUSYCC-SFHVURJKSA-N 1 3 327.488 2.391 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@@]2(CC[N@@H+](CCCF)C2)C1 ZINC001439828126 1092818001 /nfs/dbraw/zinc/81/80/01/1092818001.db2.gz JHPVJIHJUUSYCC-SFHVURJKSA-N 1 3 327.488 2.391 10 0 EEAEHO CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001439976565 1093096480 /nfs/dbraw/zinc/09/64/80/1093096480.db2.gz UQDJGRRENDGOEL-LSDHHAIUSA-N 1 3 331.451 2.202 10 0 EEAEHO CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001439976565 1093096489 /nfs/dbraw/zinc/09/64/89/1093096489.db2.gz UQDJGRRENDGOEL-LSDHHAIUSA-N 1 3 331.451 2.202 10 0 EEAEHO CC(C)N(C)CC(=O)NCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCOC2)cc1 ZINC001440224871 1093304745 /nfs/dbraw/zinc/30/47/45/1093304745.db2.gz RGFAFTWSBPVTRB-AEFFLSMTSA-N 1 3 347.503 2.330 10 0 EEAEHO C[NH+](C)CCC(=O)N1CCCC[C@@H]1CNCc1cc(F)cc(F)c1 ZINC001440267048 1093376555 /nfs/dbraw/zinc/37/65/55/1093376555.db2.gz GHDLDNZIFCIPMO-QGZVFWFLSA-N 1 3 339.430 2.387 10 0 EEAEHO CN(C[C@H]1CCN1CCc1ccccc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001440267416 1093378872 /nfs/dbraw/zinc/37/88/72/1093378872.db2.gz TYMHHXTUNPSNJN-RTBURBONSA-N 1 3 329.488 2.104 10 0 EEAEHO CN(C[C@H]1CCN1CCc1ccccc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001440267416 1093378880 /nfs/dbraw/zinc/37/88/80/1093378880.db2.gz TYMHHXTUNPSNJN-RTBURBONSA-N 1 3 329.488 2.104 10 0 EEAEHO CN(CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCF)C[C@@H]2C1)CC(C)(C)C ZINC001448469216 1093482098 /nfs/dbraw/zinc/48/20/98/1093482098.db2.gz KFIVQONXWWCYGJ-OWCLPIDISA-N 1 3 327.488 2.151 10 0 EEAEHO CN(CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCF)C[C@@H]2C1)CC(C)(C)C ZINC001448469216 1093482102 /nfs/dbraw/zinc/48/21/02/1093482102.db2.gz KFIVQONXWWCYGJ-OWCLPIDISA-N 1 3 327.488 2.151 10 0 EEAEHO C[C@@H](NCc1ccc(F)cn1)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001440824935 1094076947 /nfs/dbraw/zinc/07/69/47/1094076947.db2.gz OBKKFMYVCKRBNQ-ZIAGYGMSSA-N 1 3 336.455 2.078 10 0 EEAEHO C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001440843676 1094101001 /nfs/dbraw/zinc/10/10/01/1094101001.db2.gz UZTPUKJTHDYSPT-OLZOCXBDSA-N 1 3 333.467 2.492 10 0 EEAEHO CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CCOC2CCC2)CC1)N(C)C ZINC001449355503 1094317885 /nfs/dbraw/zinc/31/78/85/1094317885.db2.gz ZBNKZKCQJSRXQP-QAPCUYQASA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]C[C@@H]2CCCOC2)CCCCC1 ZINC001441105744 1094414403 /nfs/dbraw/zinc/41/44/03/1094414403.db2.gz HWRQMYFRJWLTTM-INIZCTEOSA-N 1 3 348.491 2.096 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cccnc1C)C1CC1 ZINC001441208717 1094571389 /nfs/dbraw/zinc/57/13/89/1094571389.db2.gz VFZSOUAISZWCFW-OALUTQOASA-N 1 3 344.503 2.249 10 0 EEAEHO COc1ccc(CC[NH+]2CC([C@H](C)NC(=O)CN(C)C(C)C)C2)cc1 ZINC001441213045 1094576588 /nfs/dbraw/zinc/57/65/88/1094576588.db2.gz QNBLEEYYJJRHAN-INIZCTEOSA-N 1 3 347.503 2.014 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2c(F)cccc2F)C1 ZINC001441546152 1095269898 /nfs/dbraw/zinc/26/98/98/1095269898.db2.gz FCGPMRXDMWYXBO-OKILXGFUSA-N 1 3 339.430 2.084 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)C/C=C\Cl)C1 ZINC001443348947 1097871136 /nfs/dbraw/zinc/87/11/36/1097871136.db2.gz ZOSICDNOULALPU-HPRJGHKQSA-N 1 3 327.900 2.394 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)C/C=C\Cl)C1 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2.381 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@@H]1c1ccccc1 ZINC000416031165 277167388 /nfs/dbraw/zinc/16/73/88/277167388.db2.gz OBGUMWXLPNPPGN-IHRRRGAJSA-N 1 3 344.381 2.011 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066187338 289206896 /nfs/dbraw/zinc/20/68/96/289206896.db2.gz XFYMRNKFUGIAQZ-OALUTQOASA-N 1 3 344.503 2.039 10 0 EEAEHO COCCOc1cc2c(cc1CNCCC[C@H]1CCC[NH2+]1)OCO2 ZINC000414976408 313118991 /nfs/dbraw/zinc/11/89/91/313118991.db2.gz PWRRBEGWFHKLSA-HNNXBMFYSA-N 1 3 336.432 2.062 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1ccsc1 ZINC000417008630 313392127 /nfs/dbraw/zinc/39/21/27/313392127.db2.gz MFCHNJYJFMRRDW-VNQPRFMTSA-N 1 3 338.521 2.428 10 0 EEAEHO C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@H](c1ccccc1)N(C)C ZINC000418162879 313730966 /nfs/dbraw/zinc/73/09/66/313730966.db2.gz DDRISWNZCRXVPE-GDAAHCPNSA-N 1 3 344.503 2.319 10 0 EEAEHO COc1cccc(OCCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530240481 317703596 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C[C@H]1COCCN1C1CC[NH+]([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000576765398 320202036 /nfs/dbraw/zinc/20/20/36/320202036.db2.gz HWOGNDGLZPZING-RXVVDRJESA-N 1 3 343.515 2.446 10 0 EEAEHO C[C@@H]1COCCN1C1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000576765396 320202230 /nfs/dbraw/zinc/20/22/30/320202230.db2.gz HWOGNDGLZPZING-NQIIRXRSSA-N 1 3 343.515 2.446 10 0 EEAEHO C[C@@H]1COCCN1C1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000576765396 320202231 /nfs/dbraw/zinc/20/22/31/320202231.db2.gz HWOGNDGLZPZING-NQIIRXRSSA-N 1 3 343.515 2.446 10 0 EEAEHO C[C@@H]1COCCN1C1CC[NH+]([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000576765396 320202232 /nfs/dbraw/zinc/20/22/32/320202232.db2.gz HWOGNDGLZPZING-NQIIRXRSSA-N 1 3 343.515 2.446 10 0 EEAEHO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000590659181 468298131 /nfs/dbraw/zinc/29/81/31/468298131.db2.gz NEXPTEGFZLCKAR-MSOLQXFVSA-N 1 3 334.460 2.448 10 0 EEAEHO CC(C)C[NH+]1CCC(NC(=O)c2ccccc2OCCN(C)C)CC1 ZINC000067264655 462984311 /nfs/dbraw/zinc/98/43/11/462984311.db2.gz ZKFKMDHBQDWZMK-UHFFFAOYSA-N 1 3 347.503 2.477 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000139439630 463323795 /nfs/dbraw/zinc/32/37/95/463323795.db2.gz QZESKEVMEWLNKN-SFHVURJKSA-N 1 3 330.476 2.176 10 0 EEAEHO CN(C)CCOc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000261620324 463804508 /nfs/dbraw/zinc/80/45/08/463804508.db2.gz BZXADRYKJOPCDC-OLMNPRSZSA-N 1 3 331.460 2.486 10 0 EEAEHO C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000185881203 463897255 /nfs/dbraw/zinc/89/72/55/463897255.db2.gz MBRTYNBQMVQLSC-MRXNPFEDSA-N 1 3 327.476 2.192 10 0 EEAEHO CCCN1CCN(c2ccccc2CN2CCC[C@H]([NH2+]C)C2)CC1 ZINC000262136156 463956799 /nfs/dbraw/zinc/95/67/99/463956799.db2.gz YQBPXEAVDGKTCV-IBGZPJMESA-N 1 3 330.520 2.402 10 0 EEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000179196329 464078992 /nfs/dbraw/zinc/07/89/92/464078992.db2.gz PYJGGCITLATSMC-OQIJWPOYSA-N 1 3 344.503 2.460 10 0 EEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000179196329 464078997 /nfs/dbraw/zinc/07/89/97/464078997.db2.gz PYJGGCITLATSMC-OQIJWPOYSA-N 1 3 344.503 2.460 10 0 EEAEHO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000523359298 468390328 /nfs/dbraw/zinc/39/03/28/468390328.db2.gz ZESMQJIIHLWKHD-MRXNPFEDSA-N 1 3 333.476 2.087 10 0 EEAEHO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000523359298 468390333 /nfs/dbraw/zinc/39/03/33/468390333.db2.gz ZESMQJIIHLWKHD-MRXNPFEDSA-N 1 3 333.476 2.087 10 0 EEAEHO CN1CCN(C)[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000272384249 464587358 /nfs/dbraw/zinc/58/73/58/464587358.db2.gz FTLBBOSXKROZDM-BURNTYAHSA-N 1 3 342.531 2.017 10 0 EEAEHO CN1CCN(C)[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000272384249 464587363 /nfs/dbraw/zinc/58/73/63/464587363.db2.gz FTLBBOSXKROZDM-BURNTYAHSA-N 1 3 342.531 2.017 10 0 EEAEHO CN1CCN(C)[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000272384249 464587368 /nfs/dbraw/zinc/58/73/68/464587368.db2.gz FTLBBOSXKROZDM-BURNTYAHSA-N 1 3 342.531 2.017 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccccc1O ZINC000299684774 465855906 /nfs/dbraw/zinc/85/59/06/465855906.db2.gz UOSOEUSQKQCTDA-SFHVURJKSA-N 1 3 347.503 2.199 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccccc1O ZINC000299684774 465855908 /nfs/dbraw/zinc/85/59/08/465855908.db2.gz UOSOEUSQKQCTDA-SFHVURJKSA-N 1 3 347.503 2.199 10 0 EEAEHO CN1CC[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)[C@@H]2CCC[C@@H]21 ZINC000353611732 466010988 /nfs/dbraw/zinc/01/09/88/466010988.db2.gz FCDURWPQDJIASI-FSGKZVOOSA-N 1 3 335.536 2.217 10 0 EEAEHO CCOC(=O)c1cnn(C2CC[NH+](CC[C@@H]3CCCN3C)CC2)c1C ZINC000367150392 466160514 /nfs/dbraw/zinc/16/05/14/466160514.db2.gz FCCFNOICMAZYHW-INIZCTEOSA-N 1 3 348.491 2.489 10 0 EEAEHO CN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349806806 466249661 /nfs/dbraw/zinc/24/96/61/466249661.db2.gz LBYLFQFRMGJBGI-HKUYNNGSSA-N 1 3 342.487 2.139 10 0 EEAEHO CN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000349806806 466249665 /nfs/dbraw/zinc/24/96/65/466249665.db2.gz LBYLFQFRMGJBGI-HKUYNNGSSA-N 1 3 342.487 2.139 10 0 EEAEHO CC1=CCN(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423030629 466690393 /nfs/dbraw/zinc/69/03/93/466690393.db2.gz CBFZEWUUUMTIRS-ICSRJNTNSA-N 1 3 327.472 2.484 10 0 EEAEHO CN(Cc1nc2ccccc2o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373214998 466729950 /nfs/dbraw/zinc/72/99/50/466729950.db2.gz HOIRKFDITIBBHN-MRXNPFEDSA-N 1 3 328.460 2.428 10 0 EEAEHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cnccc1N ZINC000423528088 466767258 /nfs/dbraw/zinc/76/72/58/466767258.db2.gz NSSBUMSUBWIVIZ-INIZCTEOSA-N 1 3 339.487 2.138 10 0 EEAEHO C[C@@H]1CCC[C@](CNC(=O)NC[C@H](N)c2ccccc2)([NH+](C)C)C1 ZINC000417218752 466806348 /nfs/dbraw/zinc/80/63/48/466806348.db2.gz UCRXRNVRLLFTKL-AYBZRNKSSA-N 1 3 332.492 2.496 10 0 EEAEHO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000668477182 472140401 /nfs/dbraw/zinc/14/04/01/472140401.db2.gz WXLNXUGHRMRTGW-LZQZEXGQSA-N 1 3 333.476 2.206 10 0 EEAEHO C[NH2+]CCC1CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000417939726 466995369 /nfs/dbraw/zinc/99/53/69/466995369.db2.gz KWOZBASQBSWDPF-OALUTQOASA-N 1 3 344.503 2.463 10 0 EEAEHO C[C@]1(C[NH3+])CCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000418042521 467031536 /nfs/dbraw/zinc/03/15/36/467031536.db2.gz LVCCBTUPRTYWRK-UXHICEINSA-N 1 3 344.503 2.421 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000418583506 467131591 /nfs/dbraw/zinc/13/15/91/467131591.db2.gz AYOFYEDJAZSYPG-AOIWGVFYSA-N 1 3 344.503 2.290 10 0 EEAEHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000418587322 467132411 /nfs/dbraw/zinc/13/24/11/467132411.db2.gz GMWVIGLBLJGTEP-RDJZCZTQSA-N 1 3 332.492 2.194 10 0 EEAEHO CCc1ccccc1[C@H](N)CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000418652842 467141218 /nfs/dbraw/zinc/14/12/18/467141218.db2.gz NMYKNVDACKHPJU-OLMNPRSZSA-N 1 3 332.492 2.230 10 0 EEAEHO CCc1ccccc1[C@H](N)CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000418652842 467141221 /nfs/dbraw/zinc/14/12/21/467141221.db2.gz NMYKNVDACKHPJU-OLMNPRSZSA-N 1 3 332.492 2.230 10 0 EEAEHO C[C@@H]([NH3+])[C@H](C)NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000418709844 467149024 /nfs/dbraw/zinc/14/90/24/467149024.db2.gz VEQHOMINZBPFMJ-OLZOCXBDSA-N 1 3 326.872 2.149 10 0 EEAEHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000377897612 467161826 /nfs/dbraw/zinc/16/18/26/467161826.db2.gz BGDNKPUAOXUZMF-CRAIPNDOSA-N 1 3 327.488 2.389 10 0 EEAEHO Cc1cc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)ncn1 ZINC000428210397 467213013 /nfs/dbraw/zinc/21/30/13/467213013.db2.gz SRSHAONMABZVFK-UHFFFAOYSA-N 1 3 345.535 2.413 10 0 EEAEHO C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000433933850 467365143 /nfs/dbraw/zinc/36/51/43/467365143.db2.gz VKFJIEGFPGJSKK-HTWSVDAQSA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccccc1CC[NH3+] ZINC000383445732 467380309 /nfs/dbraw/zinc/38/03/09/467380309.db2.gz IGUIFMXFIWKGJA-INIZCTEOSA-N 1 3 325.456 2.438 10 0 EEAEHO CN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388520627 467396658 /nfs/dbraw/zinc/39/66/58/467396658.db2.gz QILXAZJEXKQFIW-RBUKOAKNSA-N 1 3 329.488 2.499 10 0 EEAEHO CN1CC[C@@H](NC(=O)NCC[C@H]2CCC[N@H+](C)C2)[C@H]1c1ccccc1 ZINC000458596177 467864236 /nfs/dbraw/zinc/86/42/36/467864236.db2.gz WPEGYCVEGPHCBX-BHIYHBOVSA-N 1 3 344.503 2.463 10 0 EEAEHO CN1CC[C@@H](NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)[C@H]1c1ccccc1 ZINC000458596177 467864238 /nfs/dbraw/zinc/86/42/38/467864238.db2.gz WPEGYCVEGPHCBX-BHIYHBOVSA-N 1 3 344.503 2.463 10 0 EEAEHO CC(C)C[C@H]([NH2+][C@H]1CS[C@@H](C(C)C)C1)C(=O)NCCN(C)C ZINC000488434150 468086906 /nfs/dbraw/zinc/08/69/06/468086906.db2.gz OTYMKIMXIYHMGR-OWCLPIDISA-N 1 3 329.554 2.199 10 0 EEAEHO C[C@@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C1=CCN(C)CC1 ZINC000573306746 469103204 /nfs/dbraw/zinc/10/32/04/469103204.db2.gz KBEPDDIGDCDPSV-GFCCVEGCSA-N 1 3 332.423 2.243 10 0 EEAEHO CC(C)C[N@H+](C)CCCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625939790 469442568 /nfs/dbraw/zinc/44/25/68/469442568.db2.gz OVVUMUGKLIKHMD-UHFFFAOYSA-N 1 3 334.464 2.268 10 0 EEAEHO CC(C)C[N@@H+](C)CCCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625939790 469442573 /nfs/dbraw/zinc/44/25/73/469442573.db2.gz OVVUMUGKLIKHMD-UHFFFAOYSA-N 1 3 334.464 2.268 10 0 EEAEHO [NH3+]C1(CN[C@H]2CCc3cccc(Br)c3C2)CCOCC1 ZINC000629522112 469571385 /nfs/dbraw/zinc/57/13/85/469571385.db2.gz XVOPDUFATWMYNK-ZDUSSCGKSA-N 1 3 339.277 2.404 10 0 EEAEHO [NH3+]C1(CN[C@@H]2CCc3cccc(Br)c3C2)CCOCC1 ZINC000629522111 469572122 /nfs/dbraw/zinc/57/21/22/469572122.db2.gz XVOPDUFATWMYNK-CYBMUJFWSA-N 1 3 339.277 2.404 10 0 EEAEHO C[C@@]1(NC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC[NH2+]C1 ZINC000612902166 469575996 /nfs/dbraw/zinc/57/59/96/469575996.db2.gz RBFYCPKWRKWIQK-RTBURBONSA-N 1 3 330.476 2.092 10 0 EEAEHO CN(c1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1)S(C)(=O)=O ZINC000623414939 469650071 /nfs/dbraw/zinc/65/00/71/469650071.db2.gz VMCDCRKGHSXPSG-OAHLLOKOSA-N 1 3 339.505 2.045 10 0 EEAEHO CCc1cc(N2CCC[C@@H](N[C@H]3CC[N@H+](C)C(C)(C)C3)C2)ncn1 ZINC000623416583 469650484 /nfs/dbraw/zinc/65/04/84/469650484.db2.gz ACKJHWLFYXRTCP-DLBZAZTESA-N 1 3 331.508 2.470 10 0 EEAEHO CCc1cc(N2CCC[C@@H](N[C@H]3CC[N@@H+](C)C(C)(C)C3)C2)ncn1 ZINC000623416583 469650487 /nfs/dbraw/zinc/65/04/87/469650487.db2.gz ACKJHWLFYXRTCP-DLBZAZTESA-N 1 3 331.508 2.470 10 0 EEAEHO CC[C@H](C)n1nc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1C ZINC000617506281 469705734 /nfs/dbraw/zinc/70/57/34/469705734.db2.gz IPWAMRYQFPQPSF-GJZGRUSLSA-N 1 3 337.512 2.164 10 0 EEAEHO CC[C@H](C)n1nc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1C ZINC000617506281 469705739 /nfs/dbraw/zinc/70/57/39/469705739.db2.gz IPWAMRYQFPQPSF-GJZGRUSLSA-N 1 3 337.512 2.164 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000626957981 469768323 /nfs/dbraw/zinc/76/83/23/469768323.db2.gz IOBKCHNMKVKNHZ-OFQRWUPVSA-N 1 3 336.505 2.010 10 0 EEAEHO C[C@H]1CC[C@@H](NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)C[NH2+]1 ZINC000627208523 469844834 /nfs/dbraw/zinc/84/48/34/469844834.db2.gz YBCGXDWEBPXYOD-ZIFCJYIRSA-N 1 3 344.503 2.290 10 0 EEAEHO CCC1([NH+](C)C)CCN(C(=O)Nc2cnc3c(c2)CNCC3)CC1 ZINC000632951366 470296016 /nfs/dbraw/zinc/29/60/16/470296016.db2.gz UIEHQFWHDALNRX-UHFFFAOYSA-N 1 3 331.464 2.065 10 0 EEAEHO NCc1nnc(-c2ccc(NC(=O)[C@H]3CCCCCC[C@H]3[NH3+])cc2)[nH]1 ZINC000647001696 470801563 /nfs/dbraw/zinc/80/15/63/470801563.db2.gz PAYIPTRUZRUGOP-LSDHHAIUSA-N 1 3 342.447 2.167 10 0 EEAEHO C(=C\C[NH2+][C@@H]1CCCn2nccc21)\CN[C@@H]1CCCn2nccc21 ZINC000640221261 470828030 /nfs/dbraw/zinc/82/80/30/470828030.db2.gz VTPGASRKIRBQOW-AYYPDYFKSA-N 1 3 326.448 2.185 10 0 EEAEHO CCOc1cccc(CNCC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000657535357 471162569 /nfs/dbraw/zinc/16/25/69/471162569.db2.gz LFPKPVZWGLTBIS-UHFFFAOYSA-N 1 3 333.476 2.461 10 0 EEAEHO C[C@]1(CNC(=O)NCCC2(C[NH3+])CC2)CCCN1Cc1ccccc1 ZINC000652180317 471251401 /nfs/dbraw/zinc/25/14/01/471251401.db2.gz PVMSAMIEVJVAFC-LJQANCHMSA-N 1 3 344.503 2.469 10 0 EEAEHO Cn1cc2c(n1)CCC[C@H]2NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658135486 471269469 /nfs/dbraw/zinc/26/94/69/471269469.db2.gz DYSPQUARSNHVNN-IEBWSBKVSA-N 1 3 340.471 2.154 10 0 EEAEHO Cn1cc2c(n1)CCC[C@H]2NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658135486 471269470 /nfs/dbraw/zinc/26/94/70/471269470.db2.gz DYSPQUARSNHVNN-IEBWSBKVSA-N 1 3 340.471 2.154 10 0 EEAEHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCOCC(F)(F)C(F)F)C1 ZINC000652364018 471280030 /nfs/dbraw/zinc/28/00/30/471280030.db2.gz VKCOHIJMTXPUBX-JHJVBQTASA-N 1 3 342.377 2.264 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1c(F)cc(F)cc1F ZINC000666215514 471319151 /nfs/dbraw/zinc/31/91/51/471319151.db2.gz KIBJLIAEICYJAE-NSHDSACASA-N 1 3 346.397 2.497 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1c(F)cc(F)cc1F ZINC000666215514 471319156 /nfs/dbraw/zinc/31/91/56/471319156.db2.gz KIBJLIAEICYJAE-NSHDSACASA-N 1 3 346.397 2.497 10 0 EEAEHO COc1ccc(NC(=O)C[C@@H](C)NCC[C@@H]([NH3+])C(C)C)c(OC)c1 ZINC000663502774 471403027 /nfs/dbraw/zinc/40/30/27/471403027.db2.gz LPELXPHDUHSMEG-UKRRQHHQSA-N 1 3 337.464 2.384 10 0 EEAEHO C[NH2+]CCCC(=O)N1CCC(NCc2scnc2C2CC2)CC1 ZINC000663506545 471403425 /nfs/dbraw/zinc/40/34/25/471403425.db2.gz UOQYSIYUPBLUBU-UHFFFAOYSA-N 1 3 336.505 2.101 10 0 EEAEHO CN(CCCC[NH+](C)C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659036511 471477916 /nfs/dbraw/zinc/47/79/16/471477916.db2.gz CIAYTGICWIDYQT-KRWDZBQOSA-N 1 3 334.464 2.153 10 0 EEAEHO CO[C@](C)(CO)CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000655785665 471481519 /nfs/dbraw/zinc/48/15/19/471481519.db2.gz MUZBZTGNRGPQHX-NMLBUPMWSA-N 1 3 332.488 2.274 10 0 EEAEHO CO[C@](C)(CO)CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000655785665 471481526 /nfs/dbraw/zinc/48/15/26/471481526.db2.gz MUZBZTGNRGPQHX-NMLBUPMWSA-N 1 3 332.488 2.274 10 0 EEAEHO CO[C@](C)(CO)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000655785665 471481531 /nfs/dbraw/zinc/48/15/31/471481531.db2.gz MUZBZTGNRGPQHX-NMLBUPMWSA-N 1 3 332.488 2.274 10 0 EEAEHO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659038603 471481449 /nfs/dbraw/zinc/48/14/49/471481449.db2.gz TXYCODXXVMVMIC-KRWDZBQOSA-N 1 3 334.464 2.151 10 0 EEAEHO C[C@H](C[NH2+]Cc1ccc(OCCN(C)C)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655824770 471496139 /nfs/dbraw/zinc/49/61/39/471496139.db2.gz PBYKMQJUAKYICO-KURKYZTESA-N 1 3 349.519 2.214 10 0 EEAEHO Cc1ccccc1C[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663737601 471497391 /nfs/dbraw/zinc/49/73/91/471497391.db2.gz XEMAPGISMCLELH-MSOLQXFVSA-N 1 3 348.535 2.497 10 0 EEAEHO Cc1ccccc1C[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663737601 471497397 /nfs/dbraw/zinc/49/73/97/471497397.db2.gz XEMAPGISMCLELH-MSOLQXFVSA-N 1 3 348.535 2.497 10 0 EEAEHO CN(c1ccccc1CN[C@@H](C[NH3+])C(F)(F)F)C1CCN(C)CC1 ZINC000656194071 471630096 /nfs/dbraw/zinc/63/00/96/471630096.db2.gz DSLJZZULWSZGMD-INIZCTEOSA-N 1 3 344.425 2.196 10 0 EEAEHO CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1nccs1 ZINC000664186740 471668334 /nfs/dbraw/zinc/66/83/34/471668334.db2.gz GQBCPBZUSFOJHJ-UONOGXRCSA-N 1 3 341.525 2.165 10 0 EEAEHO CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1nccs1 ZINC000664186740 471668336 /nfs/dbraw/zinc/66/83/36/471668336.db2.gz GQBCPBZUSFOJHJ-UONOGXRCSA-N 1 3 341.525 2.165 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000659622181 471701748 /nfs/dbraw/zinc/70/17/48/471701748.db2.gz NHLSGMOOZCCBLU-OAHLLOKOSA-N 1 3 326.510 2.195 10 0 EEAEHO [NH3+]C/C=C/CNC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000667232467 471702330 /nfs/dbraw/zinc/70/23/30/471702330.db2.gz VLKPUWKECVAQHF-NSCUHMNNSA-N 1 3 332.448 2.188 10 0 EEAEHO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000667833699 471921772 /nfs/dbraw/zinc/92/17/72/471921772.db2.gz YKHYBUGZRNFKEO-CQSZACIVSA-N 1 3 334.439 2.467 10 0 EEAEHO N[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c2ccccc21 ZINC000665274849 471986411 /nfs/dbraw/zinc/98/64/11/471986411.db2.gz ZPIFOEZNJGBSPR-NCXUSEDFSA-N 1 3 327.472 2.364 10 0 EEAEHO COc1cc(CN(C)C[C@@H]2CCC3(C[NH2+]C3)O2)ccc1OC(F)F ZINC000662250150 472041158 /nfs/dbraw/zinc/04/11/58/472041158.db2.gz ZFKJSZZWXDINOO-ZDUSSCGKSA-N 1 3 342.386 2.249 10 0 EEAEHO Fc1cccc(CN(C[C@H]2CCCO2)C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662254279 472044933 /nfs/dbraw/zinc/04/49/33/472044933.db2.gz OXIPUJUMYIHWQD-MSOLQXFVSA-N 1 3 334.435 2.328 10 0 EEAEHO CCC[C@H]1CN(Cc2cccc3c2CC[NH2+]C3)CCN1CCOC ZINC000662281158 472054475 /nfs/dbraw/zinc/05/44/75/472054475.db2.gz UHBJKCUCMDDRAD-IBGZPJMESA-N 1 3 331.504 2.265 10 0 EEAEHO CN(C)[C@]1(CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CCSC1 ZINC000662489882 472125380 /nfs/dbraw/zinc/12/53/80/472125380.db2.gz YDGXETALBURUPB-APWZRJJASA-N 1 3 347.528 2.232 10 0 EEAEHO CCC[N@H+](C)C[C@H]1CCN(C[C@H](O)CN(C)Cc2ccccc2)C1 ZINC000674047300 485623465 /nfs/dbraw/zinc/62/34/65/485623465.db2.gz KCDQZDNWADAESV-WOJBJXKFSA-N 1 3 333.520 2.143 10 0 EEAEHO CCC[N@@H+](C)C[C@H]1CCN(C[C@H](O)CN(C)Cc2ccccc2)C1 ZINC000674047300 485623474 /nfs/dbraw/zinc/62/34/74/485623474.db2.gz KCDQZDNWADAESV-WOJBJXKFSA-N 1 3 333.520 2.143 10 0 EEAEHO CNC(=O)[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)C(C)C ZINC000683777385 485636020 /nfs/dbraw/zinc/63/60/20/485636020.db2.gz GZCWOHREBWBBPI-SFHVURJKSA-N 1 3 333.476 2.021 10 0 EEAEHO CN(CCOCC[NH3+])Cc1cc(Br)cc2cccnc21 ZINC000629577882 485734897 /nfs/dbraw/zinc/73/48/97/485734897.db2.gz KLCKKQZGEIZTPK-UHFFFAOYSA-N 1 3 338.249 2.404 10 0 EEAEHO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000673186804 486290165 /nfs/dbraw/zinc/29/01/65/486290165.db2.gz WLOZHOXUZIEWEC-DLBZAZTESA-N 1 3 332.492 2.243 10 0 EEAEHO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179470783 528896796 /nfs/dbraw/zinc/89/67/96/528896796.db2.gz FUKRZGCXRYHZNX-QZTJIDSGSA-N 1 3 332.492 2.413 10 0 EEAEHO CC(C)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(NC(=O)CN(C)C)c2)C1 ZINC000230165677 535258587 /nfs/dbraw/zinc/25/85/87/535258587.db2.gz GPGGRELVDFJKJY-CRAIPNDOSA-N 1 3 332.492 2.005 10 0 EEAEHO C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000924724547 693283277 /nfs/dbraw/zinc/28/32/77/693283277.db2.gz ZQDWDUBBYABOBW-IAGOWNOFSA-N 1 3 331.504 2.195 10 0 EEAEHO CN(C)Cc1cccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1 ZINC000905296036 694589811 /nfs/dbraw/zinc/58/98/11/694589811.db2.gz MBUCPBVRKHCZCR-KBPBESRZSA-N 1 3 344.381 2.492 10 0 EEAEHO C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CN(Cc2ccccc2)C1 ZINC001485508993 1191819861 /nfs/dbraw/zinc/81/98/61/1191819861.db2.gz GFSCBISQFBWZEF-LPHOPBHVSA-N 1 3 329.488 2.498 10 0 EEAEHO C[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CN(Cc2ccccc2)C1 ZINC001485508993 1191819864 /nfs/dbraw/zinc/81/98/64/1191819864.db2.gz GFSCBISQFBWZEF-LPHOPBHVSA-N 1 3 329.488 2.498 10 0 EEAEHO CCOCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001266459694 1176574783 /nfs/dbraw/zinc/57/47/83/1176574783.db2.gz SQLHLWUFZWKOQJ-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001266459694 1176574788 /nfs/dbraw/zinc/57/47/88/1176574788.db2.gz SQLHLWUFZWKOQJ-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CCCCc2ccccc2)C1 ZINC001670725192 1177091003 /nfs/dbraw/zinc/09/10/03/1177091003.db2.gz XLIOGGZRJIJSJR-RBUKOAKNSA-N 1 3 329.488 2.152 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CCCCc2ccccc2)C1 ZINC001670725192 1177091007 /nfs/dbraw/zinc/09/10/07/1177091007.db2.gz XLIOGGZRJIJSJR-RBUKOAKNSA-N 1 3 329.488 2.152 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCOC1CCC1)N(C)C ZINC001691378253 1177985386 /nfs/dbraw/zinc/98/53/86/1177985386.db2.gz BXRDCTAGLHJJBS-RYRKJORJSA-N 1 3 339.524 2.112 10 0 EEAEHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001266989072 1178046139 /nfs/dbraw/zinc/04/61/39/1178046139.db2.gz RVHWDFMGYFRJSG-HNNXBMFYSA-N 1 3 329.847 2.367 10 0 EEAEHO COCCCC[N@H+](C)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001267111276 1178267806 /nfs/dbraw/zinc/26/78/06/1178267806.db2.gz HNLKRVKJQCPLFF-KRWDZBQOSA-N 1 3 341.540 2.314 10 0 EEAEHO COCCCC[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001267111276 1178267809 /nfs/dbraw/zinc/26/78/09/1178267809.db2.gz HNLKRVKJQCPLFF-KRWDZBQOSA-N 1 3 341.540 2.314 10 0 EEAEHO Cc1cncc(CN2CC[C@@H](CNC(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001481103359 1179744522 /nfs/dbraw/zinc/74/45/22/1179744522.db2.gz TVWBNCFDFAESLQ-KRWDZBQOSA-N 1 3 344.503 2.203 10 0 EEAEHO Cc1nn(C(C)C)cc1CN1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001481108210 1179756717 /nfs/dbraw/zinc/75/67/17/1179756717.db2.gz RJVZVMSODFAOBV-QGZVFWFLSA-N 1 3 349.523 2.052 10 0 EEAEHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH2+]Cc2cnc(C)o2)CC1 ZINC001481340592 1181072145 /nfs/dbraw/zinc/07/21/45/1181072145.db2.gz SGXRHNLGOZJLEH-AWEZNQCLSA-N 1 3 336.480 2.042 10 0 EEAEHO CN(C)C1(C(=O)NCC2([NH2+]CCCc3cccc(F)c3)CC2)CCC1 ZINC001670793703 1182087565 /nfs/dbraw/zinc/08/75/65/1182087565.db2.gz WPBFVNOYHZAGBN-UHFFFAOYSA-N 1 3 347.478 2.481 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CCN(CCOC(C)C)C2)C1 ZINC001481739441 1182458725 /nfs/dbraw/zinc/45/87/25/1182458725.db2.gz XYEIFBJYURMEIE-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CCN(CCOC(C)C)C2)C1 ZINC001481739441 1182458731 /nfs/dbraw/zinc/45/87/31/1182458731.db2.gz XYEIFBJYURMEIE-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]CC1CCOCC1 ZINC001481855559 1182815229 /nfs/dbraw/zinc/81/52/29/1182815229.db2.gz MHNMDFGJLBDVIU-FUHWJXTLSA-N 1 3 339.524 2.162 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]CC1CCOCC1 ZINC001481855560 1182815876 /nfs/dbraw/zinc/81/58/76/1182815876.db2.gz MHNMDFGJLBDVIU-SJLPKXTDSA-N 1 3 339.524 2.162 10 0 EEAEHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001268631189 1183556417 /nfs/dbraw/zinc/55/64/17/1183556417.db2.gz XVSWGKMNGRCNBD-SNAWJCMRSA-N 1 3 328.460 2.270 10 0 EEAEHO C[C@](CNCC=C(Cl)Cl)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001269645948 1184473081 /nfs/dbraw/zinc/47/30/81/1184473081.db2.gz SARSGVMMPZDIGA-OAHLLOKOSA-N 1 3 346.302 2.276 10 0 EEAEHO Cc1cccc(OCC[NH2+]C[C@H]2CCCN2C(=O)CN(C)C(C)C)c1 ZINC001270316123 1185012004 /nfs/dbraw/zinc/01/20/04/1185012004.db2.gz RHIGWKHTSMVAOM-GOSISDBHSA-N 1 3 347.503 2.295 10 0 EEAEHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNCc1cc(C)ns1 ZINC001482370216 1185535541 /nfs/dbraw/zinc/53/55/41/1185535541.db2.gz SYPXAFQZAJXFTD-GOEBONIOSA-N 1 3 338.521 2.262 10 0 EEAEHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNCc1cc(C)ns1 ZINC001482370216 1185535545 /nfs/dbraw/zinc/53/55/45/1185535545.db2.gz SYPXAFQZAJXFTD-GOEBONIOSA-N 1 3 338.521 2.262 10 0 EEAEHO C[C@H]([NH2+]CCCc1ccccc1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001271529400 1186293334 /nfs/dbraw/zinc/29/33/34/1186293334.db2.gz FLPKCFKSQNHTIN-FUHWJXTLSA-N 1 3 340.471 2.412 10 0 EEAEHO CC[C@@H](F)CN1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001271898721 1186592685 /nfs/dbraw/zinc/59/26/85/1186592685.db2.gz UJIOHBYEKNZIAB-FGTMMUONSA-N 1 3 339.499 2.391 10 0 EEAEHO CN(CC(=O)N(C)CC[N@H+](C)CC[C@H]1CCCCO1)CC(C)(C)C ZINC001482628336 1187453298 /nfs/dbraw/zinc/45/32/98/1187453298.db2.gz NUIABSVWIJKYAK-QGZVFWFLSA-N 1 3 341.540 2.314 10 0 EEAEHO CN(CC(=O)N(C)CC[N@@H+](C)CC[C@H]1CCCCO1)CC(C)(C)C ZINC001482628336 1187453302 /nfs/dbraw/zinc/45/33/02/1187453302.db2.gz NUIABSVWIJKYAK-QGZVFWFLSA-N 1 3 341.540 2.314 10 0 EEAEHO Cc1ncsc1C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001482889742 1187816139 /nfs/dbraw/zinc/81/61/39/1187816139.db2.gz RYDTWPHRUZLVJJ-WFASDCNBSA-N 1 3 326.510 2.022 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNCc1cnccc1C ZINC001482926457 1187846270 /nfs/dbraw/zinc/84/62/70/1187846270.db2.gz BBHHOQXBVLKTAG-SFHVURJKSA-N 1 3 332.492 2.203 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNCc1cnccc1C ZINC001482926457 1187846275 /nfs/dbraw/zinc/84/62/75/1187846275.db2.gz BBHHOQXBVLKTAG-SFHVURJKSA-N 1 3 332.492 2.203 10 0 EEAEHO CN(CC[NH2+]Cc1ccc(Cl)c(F)c1)C(=O)CN1CCCC1 ZINC001691602818 1188303020 /nfs/dbraw/zinc/30/30/20/1188303020.db2.gz HJBGHYUNYNBFPH-UHFFFAOYSA-N 1 3 327.831 2.123 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCOCC)C1 ZINC001691620672 1188321527 /nfs/dbraw/zinc/32/15/27/1188321527.db2.gz NRKWPYLMAYNAPM-MSOLQXFVSA-N 1 3 339.524 2.258 10 0 EEAEHO COc1cc(Cl)ccc1CN[C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001485919169 1193639771 /nfs/dbraw/zinc/63/97/71/1193639771.db2.gz LJYSCBDPPBEHRY-CYBMUJFWSA-N 1 3 341.883 2.237 10 0 EEAEHO C[C@H](CN(C)C[C@@H](O)c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483371673 1190414525 /nfs/dbraw/zinc/41/45/25/1190414525.db2.gz ZJDJJEPIPHRVHR-SJLPKXTDSA-N 1 3 347.503 2.031 10 0 EEAEHO C[C@@H]1[C@@H]([NH2+]CCCOc2ccccc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001486088370 1193678129 /nfs/dbraw/zinc/67/81/29/1193678129.db2.gz HFZRDTZWEHRJJM-QAPCUYQASA-N 1 3 342.443 2.000 10 0 EEAEHO Cc1cc(CNC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C2CC2)sn1 ZINC001483571828 1190559785 /nfs/dbraw/zinc/55/97/85/1190559785.db2.gz IASUJARTDGKIBZ-MRXNPFEDSA-N 1 3 348.516 2.064 10 0 EEAEHO C[C@H]1C[C@H](NCc2cccnc2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001486139105 1193692892 /nfs/dbraw/zinc/69/28/92/1193692892.db2.gz ZBQDNWZVUZLTAX-HKUYNNGSSA-N 1 3 344.503 2.427 10 0 EEAEHO C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCN(C/C=C/Cl)C1 ZINC001483802854 1191044602 /nfs/dbraw/zinc/04/46/02/1191044602.db2.gz VWOCSOBSVPSKAW-NJEVBOHQSA-N 1 3 327.900 2.394 10 0 EEAEHO O=C(CN1CCCC1)N1CC[C@@H](CC[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001484549540 1191409548 /nfs/dbraw/zinc/40/95/48/1191409548.db2.gz KATRYZQUBBQKKC-HZPDHXFCSA-N 1 3 343.462 2.346 10 0 EEAEHO CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cncs2)C1)N(C)C ZINC001484550511 1191409758 /nfs/dbraw/zinc/40/97/58/1191409758.db2.gz UGHLFNZZPKZZDO-GDBMZVCRSA-N 1 3 338.521 2.058 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCOC(C)C)C1 ZINC001484551697 1191410575 /nfs/dbraw/zinc/41/05/75/1191410575.db2.gz OFPMLQMAOWQGCS-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CN(CC(=O)N[C@H]1CC[C@H](C[NH2+]C/C=C/Cl)CC1)C1CCC1 ZINC001484568066 1191421163 /nfs/dbraw/zinc/42/11/63/1191421163.db2.gz COSWVTGKUJZIDB-BUSFZLKNSA-N 1 3 327.900 2.488 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CCC(C)(NCc2ccn(C(C)C)n2)CC1 ZINC001484926028 1191573296 /nfs/dbraw/zinc/57/32/96/1191573296.db2.gz FJUDEJPZISPTCC-UHFFFAOYSA-N 1 3 349.523 2.277 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CCC(C)(NCc2ccn(C(C)C)n2)CC1 ZINC001484926028 1191573297 /nfs/dbraw/zinc/57/32/97/1191573297.db2.gz FJUDEJPZISPTCC-UHFFFAOYSA-N 1 3 349.523 2.277 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCOCC(C)C)CC1(C)C)N(C)C ZINC001484940529 1191586510 /nfs/dbraw/zinc/58/65/10/1191586510.db2.gz ODVSQCZTHLUBQD-IRXDYDNUSA-N 1 3 341.540 2.216 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCOCC(C)C)CC1(C)C)N(C)C ZINC001484940529 1191586511 /nfs/dbraw/zinc/58/65/11/1191586511.db2.gz ODVSQCZTHLUBQD-IRXDYDNUSA-N 1 3 341.540 2.216 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]CCOC(C)C)CCCCC1 ZINC001485456632 1191792329 /nfs/dbraw/zinc/79/23/29/1191792329.db2.gz YZPCAGQHUMIZBS-UHFFFAOYSA-N 1 3 336.480 2.094 10 0 EEAEHO CCOCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001486445802 1193960254 /nfs/dbraw/zinc/96/02/54/1193960254.db2.gz MNSDMQBNSDEBSH-WMZOPIPTSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@H](CCNCc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273019039 1194326196 /nfs/dbraw/zinc/32/61/96/1194326196.db2.gz RGLNQFLTQGFJRV-ZIAGYGMSSA-N 1 3 339.430 2.291 10 0 EEAEHO C[C@H](CCNCc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001273019039 1194326199 /nfs/dbraw/zinc/32/61/99/1194326199.db2.gz RGLNQFLTQGFJRV-ZIAGYGMSSA-N 1 3 339.430 2.291 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2c(C)nsc2C)C[C@@H]1C ZINC001410857149 1198508644 /nfs/dbraw/zinc/50/86/44/1198508644.db2.gz DEAKEQHNVGDUBY-SWLSCSKDSA-N 1 3 338.521 2.181 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2c(C)nsc2C)C[C@@H]1C ZINC001410857149 1198508647 /nfs/dbraw/zinc/50/86/47/1198508647.db2.gz DEAKEQHNVGDUBY-SWLSCSKDSA-N 1 3 338.521 2.181 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1N(Cc1ccccn1)CC2 ZINC001410904081 1198561888 /nfs/dbraw/zinc/56/18/88/1198561888.db2.gz KZEMIGLQLACJDH-PKOBYXMFSA-N 1 3 330.476 2.037 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1N(Cc1ccccn1)CC2 ZINC001410904081 1198561893 /nfs/dbraw/zinc/56/18/93/1198561893.db2.gz KZEMIGLQLACJDH-PKOBYXMFSA-N 1 3 330.476 2.037 10 0 EEAEHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000870876036 1200925691 /nfs/dbraw/zinc/92/56/91/1200925691.db2.gz ULFVYCWUQLRMQU-FRQCXROJSA-N 1 3 345.512 2.344 10 0 EEAEHO CC(C)[C@@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)N(C)C ZINC000882391787 1201864907 /nfs/dbraw/zinc/86/49/07/1201864907.db2.gz GAPQSOVJDWYKKW-MOPGFXCFSA-N 1 3 344.503 2.496 10 0 EEAEHO CC(C)[C@@H](C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)N(C)C ZINC000882391787 1201864910 /nfs/dbraw/zinc/86/49/10/1201864910.db2.gz GAPQSOVJDWYKKW-MOPGFXCFSA-N 1 3 344.503 2.496 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CNCc2cccc(F)c2)CC[N@@H+]1C ZINC001274033953 1204338586 /nfs/dbraw/zinc/33/85/86/1204338586.db2.gz ABFBOMJOPGQKNG-JTDRTSHGSA-N 1 3 333.451 2.318 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CNCc2cccc(F)c2)CC[N@H+]1C ZINC001274033953 1204338589 /nfs/dbraw/zinc/33/85/89/1204338589.db2.gz ABFBOMJOPGQKNG-JTDRTSHGSA-N 1 3 333.451 2.318 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001274610770 1205096852 /nfs/dbraw/zinc/09/68/52/1205096852.db2.gz QOZPQVGKKBKVNP-HMECNJMJSA-N 1 3 344.503 2.272 10 0 EEAEHO COCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001275768712 1205519144 /nfs/dbraw/zinc/51/91/44/1205519144.db2.gz PXZDELWZYNLJOD-SJORKVTESA-N 1 3 339.524 2.162 10 0 EEAEHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1N(C)C ZINC000925856922 1206161783 /nfs/dbraw/zinc/16/17/83/1206161783.db2.gz OFQSXIPOCKXORR-HUUCEWRRSA-N 1 3 331.460 2.089 10 0 EEAEHO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000903955783 1242706480 /nfs/dbraw/zinc/70/64/80/1242706480.db2.gz YUQGMDMPOASASY-CQSZACIVSA-N 1 3 336.386 2.420 10 0 EEAEHO Cc1cccnc1C[NH2+]C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001491191227 1258756447 /nfs/dbraw/zinc/75/64/47/1258756447.db2.gz QTDVLZYAKVFPAG-QGZVFWFLSA-N 1 3 332.492 2.058 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cncs1 ZINC001268402201 1276928202 /nfs/dbraw/zinc/92/82/02/1276928202.db2.gz GFNBBQSXJDQYSM-GOEBONIOSA-N 1 3 338.521 2.390 10 0 EEAEHO C[NH+](C)CCC(=O)NC[C@H]1C[C@@H](NCc2sccc2Cl)C1 ZINC001488771402 1290184479 /nfs/dbraw/zinc/18/44/79/1290184479.db2.gz QBJNMGJKCZCYJP-TXEJJXNPSA-N 1 3 329.897 2.338 10 0 EEAEHO O=C(NC[C@H](NCc1ccns1)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001490680450 1291562931 /nfs/dbraw/zinc/56/29/31/1291562931.db2.gz XGELGTSPAOFJOR-INIZCTEOSA-N 1 3 348.516 2.004 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000855163383 1293096527 /nfs/dbraw/zinc/09/65/27/1293096527.db2.gz XDUZPXMKVYCJGC-KDOFPFPSSA-N 1 3 327.488 2.436 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000855163383 1293096536 /nfs/dbraw/zinc/09/65/36/1293096536.db2.gz XDUZPXMKVYCJGC-KDOFPFPSSA-N 1 3 327.488 2.436 10 0 EEAEHO Cc1ccncc1CN1CCC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001491126490 1299616802 /nfs/dbraw/zinc/61/68/02/1299616802.db2.gz ZIOZFBXHLAUSKO-GOSISDBHSA-N 1 3 346.519 2.450 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cnc(C)cn1 ZINC001277362939 1302658790 /nfs/dbraw/zinc/65/87/90/1302658790.db2.gz OPWSXIJEJBBHDE-MAUKXSAKSA-N 1 3 347.507 2.034 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)CCCN[C@H](C)c1cnccn1)[NH+]1CCCC1 ZINC001276404658 1315592150 /nfs/dbraw/zinc/59/21/50/1315592150.db2.gz KDRRPJZFWXZEQY-SJLPKXTDSA-N 1 3 347.507 2.096 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N(CC[NH3+])Cc2ccccc2)cc(Cl)n1 ZINC000841850079 1315622982 /nfs/dbraw/zinc/62/29/82/1315622982.db2.gz WSIVHMNDNGXXCT-MRXNPFEDSA-N 1 3 346.862 2.421 10 0 EEAEHO CC(C)OCC[NH2+][C@@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001264678201 1322780134 /nfs/dbraw/zinc/78/01/34/1322780134.db2.gz QKGIFCWLAQQEPF-QGZVFWFLSA-N 1 3 339.524 2.257 10 0 EEAEHO COCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001265095366 1322918382 /nfs/dbraw/zinc/91/83/82/1322918382.db2.gz UVHQWKQXPVPMOZ-VQIMIIECSA-N 1 3 347.503 2.367 10 0 EEAEHO Cc1ccc(CC[N@@H+](C)CCCNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001265923683 1323490077 /nfs/dbraw/zinc/49/00/77/1323490077.db2.gz VBLJJJMZCFXSBU-SFHVURJKSA-N 1 3 331.504 2.317 10 0 EEAEHO Cc1ccc(CC[N@H+](C)CCCNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001265923683 1323490081 /nfs/dbraw/zinc/49/00/81/1323490081.db2.gz VBLJJJMZCFXSBU-SFHVURJKSA-N 1 3 331.504 2.317 10 0 EEAEHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCCCCF)C[C@@H]2C1)N(C)C ZINC001279409587 1323900041 /nfs/dbraw/zinc/90/00/41/1323900041.db2.gz DVBLUXNOVSKTCN-IXDOHACOSA-N 1 3 327.488 2.103 10 0 EEAEHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2C1)N(C)C ZINC001279409587 1323900038 /nfs/dbraw/zinc/90/00/38/1323900038.db2.gz DVBLUXNOVSKTCN-IXDOHACOSA-N 1 3 327.488 2.103 10 0 EEAEHO Cc1ncoc1CNCC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001280043615 1324066917 /nfs/dbraw/zinc/06/69/17/1324066917.db2.gz ZTVUOJWTJHDYPW-IRXDYDNUSA-N 1 3 348.491 2.184 10 0 EEAEHO Cc1ncoc1CNCC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001280043615 1324066920 /nfs/dbraw/zinc/06/69/20/1324066920.db2.gz ZTVUOJWTJHDYPW-IRXDYDNUSA-N 1 3 348.491 2.184 10 0 EEAEHO Cc1ccc(CC[NH2+]CC[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001280295729 1324146873 /nfs/dbraw/zinc/14/68/73/1324146873.db2.gz KQZQQSOGOLHJNJ-HXUWFJFHSA-N 1 3 343.515 2.462 10 0 EEAEHO COc1cccc(C[NH2+]CC[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001280297147 1324148293 /nfs/dbraw/zinc/14/82/93/1324148293.db2.gz RCMKJGQRCABYCP-QGZVFWFLSA-N 1 3 345.487 2.119 10 0 EEAEHO COCCCN1Cc2ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc2C1 ZINC001281300463 1324945545 /nfs/dbraw/zinc/94/55/45/1324945545.db2.gz VPWHDAVEJWNXQB-LJQANCHMSA-N 1 3 347.503 2.241 10 0 EEAEHO Cc1ccncc1CN[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001491685850 1330205724 /nfs/dbraw/zinc/20/57/24/1330205724.db2.gz ZHIIGSWQAIUMID-IEBWSBKVSA-N 1 3 346.519 2.495 10 0 EEAEHO O=C(N[C@@H]1CCC[C@@H](NC/C(Cl)=C\Cl)C1)C12CC[NH+](CC1)C2 ZINC001491891008 1330291562 /nfs/dbraw/zinc/29/15/62/1330291562.db2.gz HNZDSADDWQTGTN-DBLGQFABSA-N 1 3 346.302 2.418 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCCF)C1 ZINC001316703528 1331825380 /nfs/dbraw/zinc/82/53/80/1331825380.db2.gz GZDVWCVDVPEWJN-IKGGRYGDSA-N 1 3 327.488 2.295 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCCF)C1 ZINC001316703528 1331825383 /nfs/dbraw/zinc/82/53/83/1331825383.db2.gz GZDVWCVDVPEWJN-IKGGRYGDSA-N 1 3 327.488 2.295 10 0 EEAEHO Cc1ncc(CN2CCC[C@@H]2CCCNC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001317429383 1332232896 /nfs/dbraw/zinc/23/28/96/1332232896.db2.gz IIBOEITYZYFPJX-INIZCTEOSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ccncc1CNCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317642977 1332344586 /nfs/dbraw/zinc/34/45/86/1332344586.db2.gz JKYAZWUZBQCFFC-UHFFFAOYSA-N 1 3 340.471 2.313 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001318445581 1332537489 /nfs/dbraw/zinc/53/74/89/1332537489.db2.gz NGOXFPRFERCBTK-LJQANCHMSA-N 1 3 347.503 2.321 10 0 EEAEHO CCOCCC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001318445581 1332537491 /nfs/dbraw/zinc/53/74/91/1332537491.db2.gz NGOXFPRFERCBTK-LJQANCHMSA-N 1 3 347.503 2.321 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc2c(c1)COC2)N(C)C ZINC001320609074 1332920297 /nfs/dbraw/zinc/92/02/97/1332920297.db2.gz QXKGCKGYYBHTLS-KSSFIOAISA-N 1 3 333.476 2.041 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)CN(C)C(C)C)s1 ZINC001320644297 1332927736 /nfs/dbraw/zinc/92/77/36/1332927736.db2.gz KIFLSHSRPOQTIW-GFCCVEGCSA-N 1 3 326.510 2.085 10 0 EEAEHO C[C@@H](NC/C=C/CNC(=O)C1(C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001321211905 1333046002 /nfs/dbraw/zinc/04/60/02/1333046002.db2.gz UFXYXGNTFJZULU-MBVDDHJVSA-N 1 3 333.451 2.491 10 0 EEAEHO Cc1cc(C)cc(C[NH2+]C/C=C\CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001321248963 1333054380 /nfs/dbraw/zinc/05/43/80/1333054380.db2.gz FTLAMXKKWLLRPX-AWFCHZOYSA-N 1 3 329.488 2.407 10 0 EEAEHO CN(CCC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)Cc1c[nH]cn1 ZINC001322711227 1333311745 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Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCOC(C)C)C1 ZINC001567177284 1342705600 /nfs/dbraw/zinc/70/56/00/1342705600.db2.gz SZVVOQRLDYDNIO-JKSUJKDBSA-N 1 3 336.480 2.093 10 0 EEAEHO Cc1cc(CN[C@H](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)on1 ZINC001569824862 1342953429 /nfs/dbraw/zinc/95/34/29/1342953429.db2.gz BNIXYFLXHXJJIM-HZPDHXFCSA-N 1 3 336.480 2.042 10 0 EEAEHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001676423302 1357148790 /nfs/dbraw/zinc/14/87/90/1357148790.db2.gz CZNWKHSFNBNVOZ-UONOGXRCSA-N 1 3 338.883 2.013 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2cccc(Cl)n2)[C@H]1C ZINC001676679571 1357179289 /nfs/dbraw/zinc/17/92/89/1357179289.db2.gz AQKBADMOWPJURQ-UKRRQHHQSA-N 1 3 338.883 2.156 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2cccc(Cl)n2)[C@H]1C ZINC001676679571 1357179292 /nfs/dbraw/zinc/17/92/92/1357179292.db2.gz AQKBADMOWPJURQ-UKRRQHHQSA-N 1 3 338.883 2.156 10 0 EEAEHO COCCCCC[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001649461274 1353518004 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Cc1ncc(CN(CCCNC(=O)C[N@H+]2CC[C@H](C)C2)C(C)C)o1 ZINC001664539145 1355189052 /nfs/dbraw/zinc/18/90/52/1355189052.db2.gz BLIJTCWVIGJDAK-HNNXBMFYSA-N 1 3 336.480 2.042 10 0 EEAEHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001665871282 1355402810 /nfs/dbraw/zinc/40/28/10/1355402810.db2.gz GJPBZFLSTQGDCH-UONOGXRCSA-N 1 3 326.872 2.060 10 0 EEAEHO CCOCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001667216330 1355676085 /nfs/dbraw/zinc/67/60/85/1355676085.db2.gz GJHYFWMPVZHIHO-LPHOPBHVSA-N 1 3 347.503 2.225 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ocnc1C ZINC001667301878 1355703652 /nfs/dbraw/zinc/70/36/52/1355703652.db2.gz LRMKEFWZRHVPSG-MRXNPFEDSA-N 1 3 336.480 2.186 10 0 EEAEHO O=C(NC/C=C\CNCCC(F)(F)F)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001668882865 1356033791 /nfs/dbraw/zinc/03/37/91/1356033791.db2.gz KXRHXGZPDLRWAQ-PQXPCTDFSA-N 1 3 333.398 2.218 10 0 EEAEHO O=C(NC/C=C\CNCCC(F)(F)F)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001668882865 1356033795 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C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccnc(NC2CCC2)c1 ZINC000912305418 788103001 /nfs/dbraw/zinc/10/30/01/788103001.db2.gz YQGLFXFLGFWKGJ-HNNXBMFYSA-N 1 3 347.507 2.048 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccnc(NC2CCC2)c1 ZINC000912305418 788103006 /nfs/dbraw/zinc/10/30/06/788103006.db2.gz YQGLFXFLGFWKGJ-HNNXBMFYSA-N 1 3 347.507 2.048 10 0 EEAEHO COc1ccc(OC)c(CN(CCO)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923312522 789350885 /nfs/dbraw/zinc/35/08/85/789350885.db2.gz JDUHXCXGCFHZEA-ZNXRZULTSA-N 1 3 348.487 2.419 10 0 EEAEHO CC(C)c1ccc(OCCNC(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923497163 789670795 /nfs/dbraw/zinc/67/07/95/789670795.db2.gz GACUXEAVAGIYAH-FUHWJXTLSA-N 1 3 347.503 2.222 10 0 EEAEHO CCOCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001566074918 1125547742 /nfs/dbraw/zinc/54/77/42/1125547742.db2.gz DJLMAWORKXAPFP-ROUUACIJSA-N 1 3 341.540 2.360 10 0 EEAEHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H](C)c1cnc(C)cn1 ZINC001566550448 1125721992 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EEAEHO CC[C@@H](C(=O)NCC1([NH2+][C@H]2CCc3c2cccc3F)CC1)N(C)C ZINC001446260935 1092397304 /nfs/dbraw/zinc/39/73/04/1092397304.db2.gz MNKBWFOXVKFSBH-IRXDYDNUSA-N 1 3 333.451 2.392 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cnc(C)o3)C[C@@H]2C1 ZINC001448464588 1093474561 /nfs/dbraw/zinc/47/45/61/1093474561.db2.gz AIMMNFLTVWQHQM-IXDOHACOSA-N 1 3 348.491 2.042 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc(C)o3)C[C@@H]2C1 ZINC001448464588 1093474565 /nfs/dbraw/zinc/47/45/65/1093474565.db2.gz AIMMNFLTVWQHQM-IXDOHACOSA-N 1 3 348.491 2.042 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(F)(F)C1 ZINC001440745556 1093993853 /nfs/dbraw/zinc/99/38/53/1093993853.db2.gz HHXGZQWWURHGCY-HNNXBMFYSA-N 1 3 331.451 2.295 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(F)(F)C1 ZINC001440745556 1093993859 /nfs/dbraw/zinc/99/38/59/1093993859.db2.gz HHXGZQWWURHGCY-HNNXBMFYSA-N 1 3 331.451 2.295 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCc2cccnc2)C(C)(C)C1 ZINC001449093204 1094104393 /nfs/dbraw/zinc/10/43/93/1094104393.db2.gz SFPGAPKTZDIUQT-QGZVFWFLSA-N 1 3 332.492 2.140 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2cccnc2)C(C)(C)C1 ZINC001449093204 1094104396 /nfs/dbraw/zinc/10/43/96/1094104396.db2.gz SFPGAPKTZDIUQT-QGZVFWFLSA-N 1 3 332.492 2.140 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ncccc1C)C(C)(C)C)N(C)C ZINC001449309770 1094262949 /nfs/dbraw/zinc/26/29/49/1094262949.db2.gz OHTGZIYBWIPPQM-IAGOWNOFSA-N 1 3 334.508 2.351 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(CO)cc1)C(C)(C)C)N(C)C ZINC001449311789 1094264627 /nfs/dbraw/zinc/26/46/27/1094264627.db2.gz SGSOTCCVGJQRBW-QZTJIDSGSA-N 1 3 349.519 2.140 10 0 EEAEHO C[NH+]1CCC(C(=O)N[C@H](CNCc2cncs2)C(C)(C)C)CC1 ZINC001449326384 1094278269 /nfs/dbraw/zinc/27/82/69/1094278269.db2.gz VQDGYSWAMLMESU-OAHLLOKOSA-N 1 3 338.521 2.105 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ocnc3C)C[C@@H]2C1 ZINC001441331921 1094797287 /nfs/dbraw/zinc/79/72/87/1094797287.db2.gz BMYLVKAXUMESKR-YESZJQIVSA-N 1 3 348.491 2.042 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ocnc3C)C[C@@H]2C1 ZINC001441331921 1094797296 /nfs/dbraw/zinc/79/72/96/1094797296.db2.gz BMYLVKAXUMESKR-YESZJQIVSA-N 1 3 348.491 2.042 10 0 EEAEHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(N(C)C)c1 ZINC001441529712 1095237246 /nfs/dbraw/zinc/23/72/46/1095237246.db2.gz ANSCJYANWIBUPI-INIZCTEOSA-N 1 3 346.519 2.173 10 0 EEAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC001441557629 1095299722 /nfs/dbraw/zinc/29/97/22/1095299722.db2.gz WLUIUVFHZGLVJL-MOPGFXCFSA-N 1 3 344.503 2.284 10 0 EEAEHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC001441557629 1095299728 /nfs/dbraw/zinc/29/97/28/1095299728.db2.gz WLUIUVFHZGLVJL-MOPGFXCFSA-N 1 3 344.503 2.284 10 0 EEAEHO CCCN(C)CC(=O)NC1CCC([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC001441761669 1095759189 /nfs/dbraw/zinc/75/91/89/1095759189.db2.gz UICQHISPIYNDDH-OFLPRAFFSA-N 1 3 339.524 2.160 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001442056066 1096268988 /nfs/dbraw/zinc/26/89/88/1096268988.db2.gz ASQZMPFTVWPMOK-RDJZCZTQSA-N 1 3 349.523 2.107 10 0 EEAEHO CC[N@H+](CCNC(=O)CN(C)C(C)C)Cc1ccc2c(c1)CCC2 ZINC001442759174 1097134106 /nfs/dbraw/zinc/13/41/06/1097134106.db2.gz YXHHRMBIVZSAET-UHFFFAOYSA-N 1 3 331.504 2.454 10 0 EEAEHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)Cc1ccc2c(c1)CCC2 ZINC001442759174 1097134109 /nfs/dbraw/zinc/13/41/09/1097134109.db2.gz YXHHRMBIVZSAET-UHFFFAOYSA-N 1 3 331.504 2.454 10 0 EEAEHO CCCCOCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001479739385 1098853975 /nfs/dbraw/zinc/85/39/75/1098853975.db2.gz YOHGOFRHIOCABL-ZWKOTPCHSA-N 1 3 339.524 2.210 10 0 EEAEHO CCCCOCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001479739385 1098853987 /nfs/dbraw/zinc/85/39/87/1098853987.db2.gz YOHGOFRHIOCABL-ZWKOTPCHSA-N 1 3 339.524 2.210 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1)N(C)C ZINC001480157659 1099729559 /nfs/dbraw/zinc/72/95/59/1099729559.db2.gz AZYFENOTGGLKQM-AJNGGQMLSA-N 1 3 331.451 2.389 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCOC(C)C ZINC001480182896 1099770034 /nfs/dbraw/zinc/77/00/34/1099770034.db2.gz HXCFIOKZBLUJSO-ALOPSCKCSA-N 1 3 348.491 2.187 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCOC(C)C ZINC001480182896 1099770039 /nfs/dbraw/zinc/77/00/39/1099770039.db2.gz HXCFIOKZBLUJSO-ALOPSCKCSA-N 1 3 348.491 2.187 10 0 EEAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001480209646 1099818620 /nfs/dbraw/zinc/81/86/20/1099818620.db2.gz YFCADCMYUWIHBL-IXDOHACOSA-N 1 3 333.451 2.437 10 0 EEAEHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001480209646 1099818632 /nfs/dbraw/zinc/81/86/32/1099818632.db2.gz YFCADCMYUWIHBL-IXDOHACOSA-N 1 3 333.451 2.437 10 0 EEAEHO C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)NCc1cncs1 ZINC001480510287 1100338386 /nfs/dbraw/zinc/33/83/86/1100338386.db2.gz VSWVLBOKMBKSRK-CQSZACIVSA-N 1 3 338.521 2.250 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@](C)(CNCc1ccc(F)cc1F)C1CC1 ZINC001495275549 1100972267 /nfs/dbraw/zinc/97/22/67/1100972267.db2.gz BIQBMTKTQDUCBN-SFHVURJKSA-N 1 3 339.430 2.291 10 0 EEAEHO CC(C)OCCN1CC[C@@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001446552282 1101022865 /nfs/dbraw/zinc/02/28/65/1101022865.db2.gz ILAYBRFOOXYCPZ-IEBWSBKVSA-N 1 3 339.524 2.257 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@@H](CC[NH2+]Cc2cnoc2C)C1 ZINC001495380136 1101100103 /nfs/dbraw/zinc/10/01/03/1101100103.db2.gz PSOLQEJLOMKCHB-INIZCTEOSA-N 1 3 336.480 2.043 10 0 EEAEHO Cc1ncc(C[NH2+]CCC2CCN(C(=O)[C@H]3CCCCN3C)CC2)o1 ZINC001495419259 1101139128 /nfs/dbraw/zinc/13/91/28/1101139128.db2.gz XRUUEYJXUYJXAO-GOSISDBHSA-N 1 3 348.491 2.186 10 0 EEAEHO C[C@H](F)CC[NH2+]CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001495430024 1101148498 /nfs/dbraw/zinc/14/84/98/1101148498.db2.gz DHSMTSCXBYEZTR-HOTGVXAUSA-N 1 3 327.488 2.295 10 0 EEAEHO Cc1ncccc1C[NH2+][C@H](CNC(=O)[C@H]1CCCN1C(C)C)C(C)C ZINC001496559108 1101160470 /nfs/dbraw/zinc/16/04/70/1101160470.db2.gz TWJZRRLTIXEECI-RTBURBONSA-N 1 3 346.519 2.493 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NCCC2CCN(C/C=C/Cl)CC2)C1 ZINC001495535975 1101251469 /nfs/dbraw/zinc/25/14/69/1101251469.db2.gz NVAARONIIANWJO-MPUHIQPUSA-N 1 3 327.900 2.299 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NCCC2CCN(C/C=C/Cl)CC2)C1 ZINC001495535975 1101251475 /nfs/dbraw/zinc/25/14/75/1101251475.db2.gz NVAARONIIANWJO-MPUHIQPUSA-N 1 3 327.900 2.299 10 0 EEAEHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CCCCO1)N(C)C ZINC001495577783 1101286264 /nfs/dbraw/zinc/28/62/64/1101286264.db2.gz PXFPJQBPDMOZNB-FGTMMUONSA-N 1 3 339.524 2.112 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN(CCC(F)(F)F)CC2 ZINC001447101362 1101994020 /nfs/dbraw/zinc/99/40/20/1101994020.db2.gz PPHGRBGEMIUNIV-UHFFFAOYSA-N 1 3 335.414 2.205 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(CCC(F)(F)F)CC2 ZINC001447101362 1101994026 /nfs/dbraw/zinc/99/40/26/1101994026.db2.gz PPHGRBGEMIUNIV-UHFFFAOYSA-N 1 3 335.414 2.205 10 0 EEAEHO O=C(NCC1(NCc2cncs2)CCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001447210528 1102210474 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1103639073 /nfs/dbraw/zinc/63/90/73/1103639073.db2.gz RISAYWPFEZWULJ-HOTGVXAUSA-N 1 3 347.503 2.271 10 0 EEAEHO COCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001448284173 1104319824 /nfs/dbraw/zinc/31/98/24/1104319824.db2.gz STGUVYLEWIFFKA-ZWKOTPCHSA-N 1 3 339.524 2.258 10 0 EEAEHO COCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001448284173 1104319835 /nfs/dbraw/zinc/31/98/35/1104319835.db2.gz STGUVYLEWIFFKA-ZWKOTPCHSA-N 1 3 339.524 2.258 10 0 EEAEHO COc1cc(C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C)ccc1C ZINC001498457548 1107567713 /nfs/dbraw/zinc/56/77/13/1107567713.db2.gz RSWSPVGCOCQHCD-MRXNPFEDSA-N 1 3 335.492 2.280 10 0 EEAEHO COc1cc(C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C)ccc1C ZINC001498457548 1107567717 /nfs/dbraw/zinc/56/77/17/1107567717.db2.gz RSWSPVGCOCQHCD-MRXNPFEDSA-N 1 3 335.492 2.280 10 0 EEAEHO CN(CCNCc1cnc(-c2ccccc2)s1)C(=O)CC[NH+](C)C ZINC001493682719 1108500569 /nfs/dbraw/zinc/50/05/69/1108500569.db2.gz ZPNSPJJFEYEYEA-UHFFFAOYSA-N 1 3 346.500 2.310 10 0 EEAEHO COCCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001493818126 1108698817 /nfs/dbraw/zinc/69/88/17/1108698817.db2.gz FOFJXFGSIWQSSQ-WMZOPIPTSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC2(NC/C=C/Cl)CC2)C1 ZINC001499352709 1112246619 /nfs/dbraw/zinc/24/66/19/1112246619.db2.gz SFAFWEXCSAIXLX-YCOJEUHLSA-N 1 3 331.863 2.190 10 0 EEAEHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCC2(NC/C=C/Cl)CC2)C1 ZINC001499352709 1112246624 /nfs/dbraw/zinc/24/66/24/1112246624.db2.gz SFAFWEXCSAIXLX-YCOJEUHLSA-N 1 3 331.863 2.190 10 0 EEAEHO COCCCC[N@@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001500502459 1112894167 /nfs/dbraw/zinc/89/41/67/1112894167.db2.gz VNFRBZVTXWQHOC-GOSISDBHSA-N 1 3 339.524 2.116 10 0 EEAEHO COCCCC[N@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001500502459 1112894174 /nfs/dbraw/zinc/89/41/74/1112894174.db2.gz VNFRBZVTXWQHOC-GOSISDBHSA-N 1 3 339.524 2.116 10 0 EEAEHO CN(C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](C/C=C\Cl)C3)CCC1 ZINC001501006323 1113163769 /nfs/dbraw/zinc/16/37/69/1113163769.db2.gz SNMVOLTUSFGJRG-XDTXHMCESA-N 1 3 325.884 2.192 10 0 EEAEHO CN(C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](C/C=C\Cl)C3)CCC1 ZINC001501006323 1113163770 /nfs/dbraw/zinc/16/37/70/1113163770.db2.gz SNMVOLTUSFGJRG-XDTXHMCESA-N 1 3 325.884 2.192 10 0 EEAEHO CC(C)OCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001501071072 1113188032 /nfs/dbraw/zinc/18/80/32/1113188032.db2.gz KLIICKPUWLXTGB-DLBZAZTESA-N 1 3 341.540 2.216 10 0 EEAEHO CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001502138646 1113611988 /nfs/dbraw/zinc/61/19/88/1113611988.db2.gz WLGCTAVJJFZGNR-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)OCCC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001502138646 1113611990 /nfs/dbraw/zinc/61/19/90/1113611990.db2.gz WLGCTAVJJFZGNR-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCOC(C)C)CC1 ZINC001502811337 1113808306 /nfs/dbraw/zinc/80/83/06/1113808306.db2.gz SHVLUCZBEJPRGR-QGZVFWFLSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001505759924 1114174171 /nfs/dbraw/zinc/17/41/71/1114174171.db2.gz DDHARXSFCNCQJD-QWHCGFSZSA-N 1 3 327.419 2.288 10 0 EEAEHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)Cc1ccc2cc[nH]c2c1 ZINC001506038386 1114365695 /nfs/dbraw/zinc/36/56/95/1114365695.db2.gz IXTZASDSKIHIIG-WBVHZDCISA-N 1 3 342.487 2.446 10 0 EEAEHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)Cc1ccc2cc[nH]c2c1 ZINC001506038386 1114365700 /nfs/dbraw/zinc/36/57/00/1114365700.db2.gz IXTZASDSKIHIIG-WBVHZDCISA-N 1 3 342.487 2.446 10 0 EEAEHO CC(C)[C@H](CCN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cccnc1 ZINC001506477175 1114636294 /nfs/dbraw/zinc/63/62/94/1114636294.db2.gz ALWURYVLZPKTHS-HKUYNNGSSA-N 1 3 346.519 2.386 10 0 EEAEHO C[NH+](C)CCC(=O)N1CC2(C1)CCCN(CCc1ccccc1F)C2 ZINC001506864788 1114933029 /nfs/dbraw/zinc/93/30/29/1114933029.db2.gz GTHRTLLWBNEANN-UHFFFAOYSA-N 1 3 347.478 2.244 10 0 EEAEHO CC1CCN(CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCCF)[C@@H]3C2)CC1 ZINC001507363899 1115224301 /nfs/dbraw/zinc/22/43/01/1115224301.db2.gz NJBMYNMRNGHVBD-RCCFBDPRSA-N 1 3 339.499 2.295 10 0 EEAEHO CCOCC[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CCCC1 ZINC001568244778 1124382749 /nfs/dbraw/zinc/38/27/49/1124382749.db2.gz PKFIEXAHFIFLOP-KRWDZBQOSA-N 1 3 339.524 2.304 10 0 EEAEHO CC(C)OCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001568533452 1124596097 /nfs/dbraw/zinc/59/60/97/1124596097.db2.gz ROWDBMXLPNMEKB-DLBZAZTESA-N 1 3 339.524 2.160 10 0 EEAEHO Cc1ncc(CNCC[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)o1 ZINC001568695015 1124708958 /nfs/dbraw/zinc/70/89/58/1124708958.db2.gz UGOKUUUHHJPWMZ-CQSZACIVSA-N 1 3 336.480 2.088 10 0 EEAEHO C[C@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)NC(=O)C1(N(C)C)CCC1 ZINC001568997466 1125029024 /nfs/dbraw/zinc/02/90/24/1125029024.db2.gz TUJZJKZIXCBDMC-VXGBXAGGSA-N 1 3 336.307 2.149 10 0 EEAEHO C[C@@H]([NH3+])Cc1ccc(Br)cc1N1CCCN(C)CC1 ZINC000104269015 219368280 /nfs/dbraw/zinc/36/82/80/219368280.db2.gz YPRHMVPOFLBICS-GFCCVEGCSA-N 1 3 326.282 2.481 10 0 EEAEHO COc1ccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1OC(F)F ZINC000422813460 240242800 /nfs/dbraw/zinc/24/28/00/240242800.db2.gz RZCVQUPSORHQEQ-WCFLWFBJSA-N 1 3 330.375 2.139 10 0 EEAEHO COC[C@H](CCC[NH3+])NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000422928023 240293586 /nfs/dbraw/zinc/29/35/86/240293586.db2.gz IKAWXGVTLLTZCI-ZDUSSCGKSA-N 1 3 328.840 2.345 10 0 EEAEHO C[C@H](N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)C1C[NH2+]C1 ZINC000423157451 240387769 /nfs/dbraw/zinc/38/77/69/240387769.db2.gz VBZFMUKHLLWLLJ-FZMZJTMJSA-N 1 3 332.398 2.341 10 0 EEAEHO C[C@H]([NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)C1CNC1 ZINC000423157451 240387774 /nfs/dbraw/zinc/38/77/74/240387774.db2.gz VBZFMUKHLLWLLJ-FZMZJTMJSA-N 1 3 332.398 2.341 10 0 EEAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCNS(C)(=O)=O)CC1 ZINC000453061839 243391303 /nfs/dbraw/zinc/39/13/03/243391303.db2.gz DKWJFUJYNWAZDU-UHFFFAOYSA-N 1 3 347.569 2.195 10 0 EEAEHO NC(=[NH2+])C1CCN(CCOc2cccc(Br)c2)CC1 ZINC000079842984 217257784 /nfs/dbraw/zinc/25/77/84/217257784.db2.gz AEDCWYRWGJGAJZ-UHFFFAOYSA-N 1 3 326.238 2.476 10 0 EEAEHO C[C@@H](CC[NH+](C)C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268541180 252008234 /nfs/dbraw/zinc/00/82/34/252008234.db2.gz TUJUSGHMYZLYLN-FUHWJXTLSA-N 1 3 332.492 2.243 10 0 EEAEHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCN1CCC(C)CC1)CC2 ZINC000173844702 152202202 /nfs/dbraw/zinc/20/22/02/152202202.db2.gz JJNSASZSFWFMIN-MSOLQXFVSA-N 1 3 336.524 2.375 10 0 EEAEHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCN1CCC(C)CC1)CC2 ZINC000173844702 152202206 /nfs/dbraw/zinc/20/22/06/152202206.db2.gz JJNSASZSFWFMIN-MSOLQXFVSA-N 1 3 336.524 2.375 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000105169820 159298503 /nfs/dbraw/zinc/29/85/03/159298503.db2.gz YIOLDZNQVCURNI-SFHVURJKSA-N 1 3 346.519 2.333 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000105169820 159298504 /nfs/dbraw/zinc/29/85/04/159298504.db2.gz YIOLDZNQVCURNI-SFHVURJKSA-N 1 3 346.519 2.333 10 0 EEAEHO C[C@H]1CCCCN1CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237508881 160222210 /nfs/dbraw/zinc/22/22/10/160222210.db2.gz KJFUQKAKYGXXMA-KRWDZBQOSA-N 1 3 329.488 2.298 10 0 EEAEHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000246215378 160268263 /nfs/dbraw/zinc/26/82/63/160268263.db2.gz YZRZDAOFQRVOAQ-HUUCEWRRSA-N 1 3 339.505 2.105 10 0 EEAEHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000247980010 160334765 /nfs/dbraw/zinc/33/47/65/160334765.db2.gz HHGKGKGWWNOGTN-YSHGAJCASA-N 1 3 344.503 2.413 10 0 EEAEHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000247980010 160334766 /nfs/dbraw/zinc/33/47/66/160334766.db2.gz HHGKGKGWWNOGTN-YSHGAJCASA-N 1 3 344.503 2.413 10 0 EEAEHO CC(=O)NCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248410535 160344843 /nfs/dbraw/zinc/34/48/43/160344843.db2.gz YBQVNPKKVURKGR-VAMGGRTRSA-N 1 3 329.488 2.403 10 0 EEAEHO CN(C[C@H](O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000352082181 162061392 /nfs/dbraw/zinc/06/13/92/162061392.db2.gz IGGQTJGNWLXJTI-KURKYZTESA-N 1 3 337.895 2.130 10 0 EEAEHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCC[N@H+](C)C1CC1 ZINC000369991437 166371065 /nfs/dbraw/zinc/37/10/65/166371065.db2.gz QURKOZXBIFLGAA-KRWDZBQOSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCC[N@@H+](C)C1CC1 ZINC000369991437 166371067 /nfs/dbraw/zinc/37/10/67/166371067.db2.gz QURKOZXBIFLGAA-KRWDZBQOSA-N 1 3 344.503 2.387 10 0 EEAEHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CC[NH+]2CCC1CC2 ZINC000376786789 167393330 /nfs/dbraw/zinc/39/33/30/167393330.db2.gz HRTSMIBPRAAVOE-INIZCTEOSA-N 1 3 348.516 2.375 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272666630 269005772 /nfs/dbraw/zinc/00/57/72/269005772.db2.gz OCGPZKNENYPNBA-SFHVURJKSA-N 1 3 346.519 2.190 10 0 EEAEHO CN1CC[C@H](NC(=O)NCC2([NH+](C)C)CCC2)[C@@H]1c1ccccc1 ZINC000275422061 274246359 /nfs/dbraw/zinc/24/63/59/274246359.db2.gz HVBWLYKPJYDLSO-IRXDYDNUSA-N 1 3 330.476 2.215 10 0 EEAEHO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000346520351 280047196 /nfs/dbraw/zinc/04/71/96/280047196.db2.gz BKQCUYHEPDYWQG-IAGOWNOFSA-N 1 3 339.549 2.383 10 0 EEAEHO COc1ccc([C@H](N[C@H]2CNCCC2(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000423468402 295246318 /nfs/dbraw/zinc/24/63/18/295246318.db2.gz BXAOMUAXVRFGGY-JYJNAYRXSA-N 1 3 325.403 2.075 10 0 EEAEHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCN(C)c1ccncc1 ZINC000543715483 318167940 /nfs/dbraw/zinc/16/79/40/318167940.db2.gz OACQUSDHIQNLQE-IXDOHACOSA-N 1 3 332.492 2.391 10 0 EEAEHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCN(C)c1ccncc1 ZINC000543715483 318167942 /nfs/dbraw/zinc/16/79/42/318167942.db2.gz OACQUSDHIQNLQE-IXDOHACOSA-N 1 3 332.492 2.391 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000565492217 319188155 /nfs/dbraw/zinc/18/81/55/319188155.db2.gz KMTOXTGPPMILHC-KRWDZBQOSA-N 1 3 344.503 2.488 10 0 EEAEHO COc1cc(CN[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)ccc1C ZINC000573411623 319931291 /nfs/dbraw/zinc/93/12/91/319931291.db2.gz ZDSXVBBIEVHAQL-KRWDZBQOSA-N 1 3 335.492 2.186 10 0 EEAEHO C[C@@H]1CN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000575354395 320103056 /nfs/dbraw/zinc/10/30/56/320103056.db2.gz MATJXLKVVQHRIN-POAQFYNOSA-N 1 3 344.503 2.420 10 0 EEAEHO CCC[NH+]1CCC(NC(=O)Nc2ccc3c(c2F)CCNC3)CC1 ZINC000579569506 323881813 /nfs/dbraw/zinc/88/18/13/323881813.db2.gz YFQZKWSKHBZCBW-UHFFFAOYSA-N 1 3 334.439 2.467 10 0 EEAEHO Cc1ccc(CN(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000194227519 463817241 /nfs/dbraw/zinc/81/72/41/463817241.db2.gz LUSLDBABTPYFJB-UHFFFAOYSA-N 1 3 348.491 2.288 10 0 EEAEHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000568812472 468389080 /nfs/dbraw/zinc/38/90/80/468389080.db2.gz QEJRFIJUMUJNSP-CGTJXYLNSA-N 1 3 332.492 2.460 10 0 EEAEHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000568812472 468389082 /nfs/dbraw/zinc/38/90/82/468389082.db2.gz QEJRFIJUMUJNSP-CGTJXYLNSA-N 1 3 332.492 2.460 10 0 EEAEHO COc1ccc([C@@H]2[C@H](CNC(=O)C3CC[NH2+]CC3)CCCN2C)cc1 ZINC000237304588 464300155 /nfs/dbraw/zinc/30/01/55/464300155.db2.gz FDFHIIMQVFKPLH-PKOBYXMFSA-N 1 3 345.487 2.194 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000246455248 464586975 /nfs/dbraw/zinc/58/69/75/464586975.db2.gz OUHTXYLBXSBXHY-BDXSIMOUSA-N 1 3 338.540 2.479 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000246455248 464586981 /nfs/dbraw/zinc/58/69/81/464586981.db2.gz OUHTXYLBXSBXHY-BDXSIMOUSA-N 1 3 338.540 2.479 10 0 EEAEHO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248709270 464790999 /nfs/dbraw/zinc/79/09/99/464790999.db2.gz PPAVNMFXBDJRGE-ROUUACIJSA-N 1 3 332.492 2.415 10 0 EEAEHO CCN(CCC[NH+](C)C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000276091602 464806094 /nfs/dbraw/zinc/80/60/94/464806094.db2.gz KJADAANUTQIMKQ-SFHVURJKSA-N 1 3 334.508 2.143 10 0 EEAEHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000339939490 465618922 /nfs/dbraw/zinc/61/89/22/465618922.db2.gz CPSJNPRWGOKXQG-AEFFLSMTSA-N 1 3 334.508 2.189 10 0 EEAEHO CN(c1ccccc1CN1C[C@H](O)C2(CC2)C1)C1CC[NH+](C)CC1 ZINC000372358680 466326148 /nfs/dbraw/zinc/32/61/48/466326148.db2.gz SPVPNTXXXXIJMQ-IBGZPJMESA-N 1 3 329.488 2.174 10 0 EEAEHO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1 ZINC000367612804 466448993 /nfs/dbraw/zinc/44/89/93/466448993.db2.gz BBECGVUOGKRHNO-RCCFBDPRSA-N 1 3 336.501 2.443 10 0 EEAEHO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c1 ZINC000367619999 466453877 /nfs/dbraw/zinc/45/38/77/466453877.db2.gz XNQPMKOMESEMQA-WJFTUGDTSA-N 1 3 334.460 2.200 10 0 EEAEHO COc1cc(OC)cc([C@H](O)CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367619999 466453883 /nfs/dbraw/zinc/45/38/83/466453883.db2.gz XNQPMKOMESEMQA-WJFTUGDTSA-N 1 3 334.460 2.200 10 0 EEAEHO COc1cc(OC)cc([C@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367619999 466453889 /nfs/dbraw/zinc/45/38/89/466453889.db2.gz XNQPMKOMESEMQA-WJFTUGDTSA-N 1 3 334.460 2.200 10 0 EEAEHO CN(C)C(=O)COc1cccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367620577 466454472 /nfs/dbraw/zinc/45/44/72/466454472.db2.gz DAHJXPPZSGAQAO-QRVBRYPASA-N 1 3 345.487 2.116 10 0 EEAEHO CN(C)C(=O)COc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367620577 466454481 /nfs/dbraw/zinc/45/44/81/466454481.db2.gz DAHJXPPZSGAQAO-QRVBRYPASA-N 1 3 345.487 2.116 10 0 EEAEHO CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)c1 ZINC000367620577 466454487 /nfs/dbraw/zinc/45/44/87/466454487.db2.gz DAHJXPPZSGAQAO-QRVBRYPASA-N 1 3 345.487 2.116 10 0 EEAEHO CC(C)C[C@H](N[C@H]1CCc2cc(F)ccc21)C(=O)NCC[NH+](C)C ZINC000347226151 466492369 /nfs/dbraw/zinc/49/23/69/466492369.db2.gz MEYBUZSSQWTGQC-ROUUACIJSA-N 1 3 335.467 2.495 10 0 EEAEHO C[C@H](Cn1cc(Br)ccc1=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423281281 466708722 /nfs/dbraw/zinc/70/87/22/466708722.db2.gz UCDJAHSMYWCNEY-YRGRVCCFSA-N 1 3 342.281 2.106 10 0 EEAEHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423281281 466708728 /nfs/dbraw/zinc/70/87/28/466708728.db2.gz UCDJAHSMYWCNEY-YRGRVCCFSA-N 1 3 342.281 2.106 10 0 EEAEHO C[C@H](Cn1cc(Br)ccc1=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423281278 466709249 /nfs/dbraw/zinc/70/92/49/466709249.db2.gz UCDJAHSMYWCNEY-BZPMIXESSA-N 1 3 342.281 2.106 10 0 EEAEHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423281278 466709252 /nfs/dbraw/zinc/70/92/52/466709252.db2.gz UCDJAHSMYWCNEY-BZPMIXESSA-N 1 3 342.281 2.106 10 0 EEAEHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662485799 472125032 /nfs/dbraw/zinc/12/50/32/472125032.db2.gz JTLSMCUSSRBEPU-APWZRJJASA-N 1 3 327.472 2.411 10 0 EEAEHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662485799 472125039 /nfs/dbraw/zinc/12/50/39/472125039.db2.gz JTLSMCUSSRBEPU-APWZRJJASA-N 1 3 327.472 2.411 10 0 EEAEHO C[NH2+]CCCNC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417678519 466906002 /nfs/dbraw/zinc/90/60/02/466906002.db2.gz GSGWQRRKMBRMAP-GOSISDBHSA-N 1 3 346.519 2.368 10 0 EEAEHO CCCN(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000417931123 466990575 /nfs/dbraw/zinc/99/05/75/466990575.db2.gz BOIDKJFGDHXNPC-RCCFBDPRSA-N 1 3 330.476 2.215 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000418583509 467131819 /nfs/dbraw/zinc/13/18/19/467131819.db2.gz AYOFYEDJAZSYPG-ZIFCJYIRSA-N 1 3 344.503 2.290 10 0 EEAEHO CCN1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1=O ZINC000453369767 467483532 /nfs/dbraw/zinc/48/35/32/467483532.db2.gz STDMCNPWWYEISY-CADBVGFASA-N 1 3 327.472 2.392 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CCN1C ZINC000516876086 468052615 /nfs/dbraw/zinc/05/26/15/468052615.db2.gz MPRXIVAUECRNGN-DJIMGWMZSA-N 1 3 339.549 2.145 10 0 EEAEHO COC(=O)c1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000600754434 468650072 /nfs/dbraw/zinc/65/00/72/468650072.db2.gz FKYCDDBNRZSPRF-SFHVURJKSA-N 1 3 332.444 2.064 10 0 EEAEHO C[N@H+](CCCCNC(=O)N1CCc2ccccc2[C@@H]1CN)C1CC1 ZINC000572480601 468939135 /nfs/dbraw/zinc/93/91/35/468939135.db2.gz WEPYARSFZSHBGP-SFHVURJKSA-N 1 3 330.476 2.129 10 0 EEAEHO C[N@@H+](CCCCNC(=O)N1CCc2ccccc2[C@@H]1CN)C1CC1 ZINC000572480601 468939137 /nfs/dbraw/zinc/93/91/37/468939137.db2.gz WEPYARSFZSHBGP-SFHVURJKSA-N 1 3 330.476 2.129 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@]3(C)CC3(F)F)CC2)CC1 ZINC000618595158 469399903 /nfs/dbraw/zinc/39/99/03/469399903.db2.gz CQIYMULPZOWHGI-KRWDZBQOSA-N 1 3 343.462 2.344 10 0 EEAEHO CC(C)(C)N1CC[C@@H]1CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000617007541 469568784 /nfs/dbraw/zinc/56/87/84/469568784.db2.gz VKZALZMOOJZKBG-CVEARBPZSA-N 1 3 339.549 2.193 10 0 EEAEHO CN(Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000629605005 469590303 /nfs/dbraw/zinc/59/03/03/469590303.db2.gz XQCKJMGYZBTQGD-WOJBJXKFSA-N 1 3 331.504 2.086 10 0 EEAEHO COc1ncc(Br)cc1CNC[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000629656401 469600508 /nfs/dbraw/zinc/60/05/08/469600508.db2.gz OGRFISZJNJTZDF-WDEREUQCSA-N 1 3 328.254 2.330 10 0 EEAEHO CN1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2CO)CC1(C)C ZINC000623428775 469653906 /nfs/dbraw/zinc/65/39/06/469653906.db2.gz ZZPUJIWTHHPKKV-UFYCRDLUSA-N 1 3 345.531 2.332 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(N2CCCC2)c1 ZINC000617503442 469700774 /nfs/dbraw/zinc/70/07/74/469700774.db2.gz JMOFKGOOOQZGRV-KRWDZBQOSA-N 1 3 346.519 2.289 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(N2CCCC2)c1 ZINC000617503442 469700778 /nfs/dbraw/zinc/70/07/78/469700778.db2.gz JMOFKGOOOQZGRV-KRWDZBQOSA-N 1 3 346.519 2.289 10 0 EEAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)N(C)C ZINC000627033417 469796999 /nfs/dbraw/zinc/79/69/99/469796999.db2.gz IZUPUCSEWWCTDV-CVYDXHPNSA-N 1 3 332.492 2.426 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000627048880 469801313 /nfs/dbraw/zinc/80/13/13/469801313.db2.gz LQGIZQUICHDDFK-ZWKOTPCHSA-N 1 3 344.503 2.481 10 0 EEAEHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627048178 469801675 /nfs/dbraw/zinc/80/16/75/469801675.db2.gz UOWAXXVRGOZMHH-YTQUADARSA-N 1 3 336.524 2.138 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000627082386 469809166 /nfs/dbraw/zinc/80/91/66/469809166.db2.gz DEUNFUHOVJGHEY-KSZLIROESA-N 1 3 326.444 2.279 10 0 EEAEHO C[C@H]1CCN(C(=O)N[C@H]2CCCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000608648482 469852767 /nfs/dbraw/zinc/85/27/67/469852767.db2.gz VHIFQLHFIVZJNQ-HKUYNNGSSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@H]1CCN(C(=O)N[C@H]2CCCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000608648482 469852769 /nfs/dbraw/zinc/85/27/69/469852769.db2.gz VHIFQLHFIVZJNQ-HKUYNNGSSA-N 1 3 344.503 2.387 10 0 EEAEHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627240253 469853327 /nfs/dbraw/zinc/85/33/27/469853327.db2.gz NQGANXSYVWODTK-QXAKKESOSA-N 1 3 344.503 2.290 10 0 EEAEHO Cn1c2cc(C[NH2+]C3CCN(c4ccncc4)CC3)ccc2oc1=O ZINC000628460403 470108098 /nfs/dbraw/zinc/10/80/98/470108098.db2.gz VGOQEJMUBALLIM-UHFFFAOYSA-N 1 3 338.411 2.285 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000631769819 470182483 /nfs/dbraw/zinc/18/24/83/470182483.db2.gz PPVPQMYUJFHJGO-OQIJWPOYSA-N 1 3 329.488 2.496 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC[N@H+]1C ZINC000631769819 470182484 /nfs/dbraw/zinc/18/24/84/470182484.db2.gz PPVPQMYUJFHJGO-OQIJWPOYSA-N 1 3 329.488 2.496 10 0 EEAEHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCCc2c1ccc(=O)n2C ZINC000650764575 470960971 /nfs/dbraw/zinc/96/09/71/470960971.db2.gz DLZHBXNAGLKUNO-JCGIZDLHSA-N 1 3 325.456 2.311 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(CC(F)C4)C3)CC2)CC1 ZINC000654950457 471234992 /nfs/dbraw/zinc/23/49/92/471234992.db2.gz UUQVXCDBAZALSL-UHFFFAOYSA-N 1 3 337.483 2.143 10 0 EEAEHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[NH2+]C ZINC000652288161 471267471 /nfs/dbraw/zinc/26/74/71/471267471.db2.gz XOFNLHWXDDCANB-MSOLQXFVSA-N 1 3 330.476 2.174 10 0 EEAEHO CN(CCNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)Cc1ccccc1 ZINC000660451872 471350101 /nfs/dbraw/zinc/35/01/01/471350101.db2.gz KCAGRYUWRNAWPE-QGZVFWFLSA-N 1 3 332.492 2.290 10 0 EEAEHO CN(CCNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)Cc1ccccc1 ZINC000660451872 471350103 /nfs/dbraw/zinc/35/01/03/471350103.db2.gz KCAGRYUWRNAWPE-QGZVFWFLSA-N 1 3 332.492 2.290 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)N(C)CC2CN(C)C2)[NH+](C)C)cc1 ZINC000663447094 471382123 /nfs/dbraw/zinc/38/21/23/471382123.db2.gz CDXPKHRLPUQZIG-GOSISDBHSA-N 1 3 332.492 2.055 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCC[C@H]4C[C@H]43)CC2)CC1 ZINC000660572671 471397785 /nfs/dbraw/zinc/39/77/85/471397785.db2.gz DHCYAKXAZKJNFW-TXPKVOOTSA-N 1 3 348.535 2.280 10 0 EEAEHO COc1ccc(F)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666501761 471426316 /nfs/dbraw/zinc/42/63/16/471426316.db2.gz JDJHKONPZJPEQB-ZDUSSCGKSA-N 1 3 340.443 2.228 10 0 EEAEHO COc1ccc(F)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666501761 471426323 /nfs/dbraw/zinc/42/63/23/471426323.db2.gz JDJHKONPZJPEQB-ZDUSSCGKSA-N 1 3 340.443 2.228 10 0 EEAEHO CCN(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCN(CC)C1 ZINC000663633269 471455601 /nfs/dbraw/zinc/45/56/01/471455601.db2.gz DFBPXWHBONASRG-KSZLIROESA-N 1 3 338.540 2.480 10 0 EEAEHO CCN(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCN(CC)C1 ZINC000663633269 471455605 /nfs/dbraw/zinc/45/56/05/471455605.db2.gz DFBPXWHBONASRG-KSZLIROESA-N 1 3 338.540 2.480 10 0 EEAEHO CC1CC[NH+](CCNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659030035 471473656 /nfs/dbraw/zinc/47/36/56/471473656.db2.gz FVQDLXAIJRSQHS-SFHVURJKSA-N 1 3 346.475 2.201 10 0 EEAEHO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659047360 471488208 /nfs/dbraw/zinc/48/82/08/471488208.db2.gz RUFOJBJNWMUWBW-SFHVURJKSA-N 1 3 346.475 2.297 10 0 EEAEHO CCN(C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1CCN(CC)C1 ZINC000666927100 471591196 /nfs/dbraw/zinc/59/11/96/471591196.db2.gz GBNKPOBCIZJTGZ-INIZCTEOSA-N 1 3 348.495 2.098 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](F)[C@H](N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000659465686 471640789 /nfs/dbraw/zinc/64/07/89/471640789.db2.gz QPEKSPBZIRDTKC-BZZMCLGOSA-N 1 3 348.466 2.120 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](F)[C@H](N)C2)CC[N@H+]1Cc1ccccc1 ZINC000659465686 471640794 /nfs/dbraw/zinc/64/07/94/471640794.db2.gz QPEKSPBZIRDTKC-BZZMCLGOSA-N 1 3 348.466 2.120 10 0 EEAEHO C[C@H]1C[C@H](NC(=O)N2CC[C@@H](F)[C@H](N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000659465691 471640995 /nfs/dbraw/zinc/64/09/95/471640995.db2.gz QPEKSPBZIRDTKC-DZOHQFGASA-N 1 3 348.466 2.120 10 0 EEAEHO C[C@H]1C[C@H](NC(=O)N2CC[C@@H](F)[C@H](N)C2)CC[N@H+]1Cc1ccccc1 ZINC000659465691 471640999 /nfs/dbraw/zinc/64/09/99/471640999.db2.gz QPEKSPBZIRDTKC-DZOHQFGASA-N 1 3 348.466 2.120 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000659468667 471642346 /nfs/dbraw/zinc/64/23/46/471642346.db2.gz DCFAQXDFDYPUPT-BPQIPLTHSA-N 1 3 332.492 2.322 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(F)cc(F)c1 ZINC000664313752 471715849 /nfs/dbraw/zinc/71/58/49/471715849.db2.gz CMVQDYNMXROQNL-LBPRGKRZSA-N 1 3 328.407 2.358 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(F)cc(F)c1 ZINC000664313752 471715851 /nfs/dbraw/zinc/71/58/51/471715851.db2.gz CMVQDYNMXROQNL-LBPRGKRZSA-N 1 3 328.407 2.358 10 0 EEAEHO O=C(CN1CCC[C@@H]([C@@H]2CCCCO2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000661881316 471911842 /nfs/dbraw/zinc/91/18/42/471911842.db2.gz USJIJXDYAWNSPO-APWZRJJASA-N 1 3 349.519 2.011 10 0 EEAEHO CC(C)[C@H]1N(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC12CCC2 ZINC000665762365 472176921 /nfs/dbraw/zinc/17/69/21/472176921.db2.gz BRSYQAFSGXNJIP-DLBZAZTESA-N 1 3 338.540 2.479 10 0 EEAEHO CC(C)[C@H]1N(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC12CCC2 ZINC000665762365 472176927 /nfs/dbraw/zinc/17/69/27/472176927.db2.gz BRSYQAFSGXNJIP-DLBZAZTESA-N 1 3 338.540 2.479 10 0 EEAEHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(C(C)(C)N)no1 ZINC000662788068 472252051 /nfs/dbraw/zinc/25/20/51/472252051.db2.gz IVKBCWUSINTKIT-UHFFFAOYSA-N 1 3 348.422 2.212 10 0 EEAEHO CN(C)[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000673770526 485524738 /nfs/dbraw/zinc/52/47/38/485524738.db2.gz CEFUIPQUFPHRJF-JKSUJKDBSA-N 1 3 338.883 2.336 10 0 EEAEHO CN(C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000673770526 485524748 /nfs/dbraw/zinc/52/47/48/485524748.db2.gz CEFUIPQUFPHRJF-JKSUJKDBSA-N 1 3 338.883 2.336 10 0 EEAEHO C[C@@H]1C[C@H](N[C@@]2(CO)CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000679042439 485573301 /nfs/dbraw/zinc/57/33/01/485573301.db2.gz BNGOKTZMYITGOK-RLLQIKCJSA-N 1 3 331.504 2.086 10 0 EEAEHO C[C@@H]1C[C@H](N[C@@]2(CO)CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000679042439 485573303 /nfs/dbraw/zinc/57/33/03/485573303.db2.gz BNGOKTZMYITGOK-RLLQIKCJSA-N 1 3 331.504 2.086 10 0 EEAEHO O=C(NC[C@@H]1CCN1C1CCCC1)NCC1CC[NH+](CC2CC2)CC1 ZINC000624394407 485675389 /nfs/dbraw/zinc/67/53/89/485675389.db2.gz DGDCGWIZRQVBRC-IBGZPJMESA-N 1 3 348.535 2.425 10 0 EEAEHO CN1CCC[C@@H](NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000681317186 486208901 /nfs/dbraw/zinc/20/89/01/486208901.db2.gz LIJAELNKTVDCBV-MOPGFXCFSA-N 1 3 344.503 2.290 10 0 EEAEHO CN1CCC[C@@H](NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000681317186 486208904 /nfs/dbraw/zinc/20/89/04/486208904.db2.gz LIJAELNKTVDCBV-MOPGFXCFSA-N 1 3 344.503 2.290 10 0 EEAEHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)C2)CC1 ZINC000682733318 486547500 /nfs/dbraw/zinc/54/75/00/486547500.db2.gz WJHKTERACFTRAY-QGZVKYPTSA-N 1 3 335.536 2.340 10 0 EEAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)CC1 ZINC000191503813 529041613 /nfs/dbraw/zinc/04/16/13/529041613.db2.gz VCLYSNZENWAFCF-IBGZPJMESA-N 1 3 345.535 2.232 10 0 EEAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](CNc3ccccn3)C2)CC1 ZINC000191503813 529041621 /nfs/dbraw/zinc/04/16/21/529041621.db2.gz VCLYSNZENWAFCF-IBGZPJMESA-N 1 3 345.535 2.232 10 0 EEAEHO CCN(C(=O)[C@]1(F)CC[NH2+]C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000165947646 682454098 /nfs/dbraw/zinc/45/40/98/682454098.db2.gz LSNKBLOJLABGMA-IEZWGBDMSA-N 1 3 333.451 2.372 10 0 EEAEHO OC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@H]1CCCOC1 ZINC000894994764 683455702 /nfs/dbraw/zinc/45/57/02/683455702.db2.gz VAAYEMAGOXFZIN-WHZJULEDSA-N 1 3 344.499 2.417 10 0 EEAEHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(Cl)c(OC)c1)N(C)C ZINC001266741328 1177332897 /nfs/dbraw/zinc/33/28/97/1177332897.db2.gz QNWIYQANASPONV-OAHLLOKOSA-N 1 3 341.883 2.237 10 0 EEAEHO Cc1ccc(CNCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(C)n1 ZINC001267109567 1178265828 /nfs/dbraw/zinc/26/58/28/1178265828.db2.gz ISQMLDOLFLMSKP-HOTGVXAUSA-N 1 3 332.492 2.119 10 0 EEAEHO CC(C)COc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001267354891 1178814726 /nfs/dbraw/zinc/81/47/26/1178814726.db2.gz BLNPTCRMTAWHCO-IBGZPJMESA-N 1 3 347.503 2.364 10 0 EEAEHO CCC[N@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)C[C@@H]1CCOC1 ZINC001493316604 1178933812 /nfs/dbraw/zinc/93/38/12/1178933812.db2.gz ODOQUPDNFCFBGQ-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CCC[N@@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)C[C@@H]1CCOC1 ZINC001493316604 1178933818 /nfs/dbraw/zinc/93/38/18/1178933818.db2.gz ODOQUPDNFCFBGQ-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CN(CC[NH2+]Cc1ccccc1C(F)(F)F)C(=O)[C@H]1CCCN1C ZINC001481215526 1180294123 /nfs/dbraw/zinc/29/41/23/1180294123.db2.gz KKKQAZICDZMEFN-OAHLLOKOSA-N 1 3 343.393 2.348 10 0 EEAEHO Cc1cc(CNCCN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)sn1 ZINC001481246083 1180436806 /nfs/dbraw/zinc/43/68/06/1180436806.db2.gz PGPDNQRVNORKOJ-HOCLYGCPSA-N 1 3 336.505 2.016 10 0 EEAEHO Cc1cc(CNCCN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)sn1 ZINC001481246083 1180436810 /nfs/dbraw/zinc/43/68/10/1180436810.db2.gz PGPDNQRVNORKOJ-HOCLYGCPSA-N 1 3 336.505 2.016 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2ncccc2C)C1)N(C)C ZINC001267887562 1180691927 /nfs/dbraw/zinc/69/19/27/1180691927.db2.gz MFGFBLGCNFXDAN-IEBWSBKVSA-N 1 3 346.519 2.449 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCOc2ccccc2)CC1 ZINC001267932001 1180782946 /nfs/dbraw/zinc/78/29/46/1180782946.db2.gz KOYHNXXHNRSDMX-IYARVYRRSA-N 1 3 347.503 2.423 10 0 EEAEHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(Cl)n1)N(C)C ZINC001268001363 1180954379 /nfs/dbraw/zinc/95/43/79/1180954379.db2.gz ANXWZNHHDPWPNX-XJKSGUPXSA-N 1 3 340.899 2.163 10 0 EEAEHO Cc1cncc(CNCCN(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001481301833 1180960827 /nfs/dbraw/zinc/96/08/27/1180960827.db2.gz DBQWCJGIBWTWHE-ZWKOTPCHSA-N 1 3 332.492 2.058 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([C@@H](C)[NH2+]Cc2cccnc2)CC1 ZINC001481344598 1181077973 /nfs/dbraw/zinc/07/79/73/1181077973.db2.gz ZLVBRANFDKPHRG-MRXNPFEDSA-N 1 3 332.492 2.139 10 0 EEAEHO CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCOCC1)N(C)C ZINC001268155260 1181852941 /nfs/dbraw/zinc/85/29/41/1181852941.db2.gz VDFYSMGAGPZFNV-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cc(CNCC[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)ncn1 ZINC001268402309 1182499028 /nfs/dbraw/zinc/49/90/28/1182499028.db2.gz GIFQECQRNCTDTA-NVXWUHKLSA-N 1 3 347.507 2.034 10 0 EEAEHO CCN(CC[NH2+]CCC1CC1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268479755 1182917771 /nfs/dbraw/zinc/91/77/71/1182917771.db2.gz SCLNTWPWPDJTNS-GOSISDBHSA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2cccnc2)C1)N(C)C ZINC001481977431 1183067060 /nfs/dbraw/zinc/06/70/60/1183067060.db2.gz VJCYQEAFLBZFMK-MJGOQNOKSA-N 1 3 346.519 2.386 10 0 EEAEHO Cc1cccc(CCC[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001268782853 1183700973 /nfs/dbraw/zinc/70/09/73/1183700973.db2.gz FSWVVIHMLKJUBV-LJQANCHMSA-N 1 3 331.504 2.460 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)CCC[NH2+]Cc1cccc(F)c1F ZINC001268959360 1183844091 /nfs/dbraw/zinc/84/40/91/1183844091.db2.gz ZPXFXJBTMLXDEM-UHFFFAOYSA-N 1 3 327.419 2.243 10 0 EEAEHO CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1cccc(Cl)n1 ZINC001269493562 1184315323 /nfs/dbraw/zinc/31/53/23/1184315323.db2.gz YAXJCCHZOOGBGJ-KGLIPLIRSA-N 1 3 338.883 2.061 10 0 EEAEHO CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1cccc(Cl)n1 ZINC001269493562 1184315330 /nfs/dbraw/zinc/31/53/30/1184315330.db2.gz YAXJCCHZOOGBGJ-KGLIPLIRSA-N 1 3 338.883 2.061 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCc1ncccc1C ZINC001482291571 1185122166 /nfs/dbraw/zinc/12/21/66/1185122166.db2.gz HFVDEKHLGISPCZ-AEFFLSMTSA-N 1 3 332.492 2.201 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCc1ncccc1C ZINC001482291571 1185122169 /nfs/dbraw/zinc/12/21/69/1185122169.db2.gz HFVDEKHLGISPCZ-AEFFLSMTSA-N 1 3 332.492 2.201 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]C/C=C\c1ccccc1 ZINC001270516612 1185141718 /nfs/dbraw/zinc/14/17/18/1185141718.db2.gz FYTAEKNACBNWCP-QQSUMNJZSA-N 1 3 329.488 2.384 10 0 EEAEHO CC(C)C[C@@H](CNCC=C(Cl)Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482399343 1185616724 /nfs/dbraw/zinc/61/67/24/1185616724.db2.gz YIHTVLXCTNSYDA-STQMWFEESA-N 1 3 336.307 2.378 10 0 EEAEHO CC(C)C[C@@H](CNCC=C(Cl)Cl)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482399343 1185616729 /nfs/dbraw/zinc/61/67/29/1185616729.db2.gz YIHTVLXCTNSYDA-STQMWFEESA-N 1 3 336.307 2.378 10 0 EEAEHO Cc1cncc(CNCCN(C)C(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC001691516579 1185619022 /nfs/dbraw/zinc/61/90/22/1185619022.db2.gz JNPXKBDMTJNQIU-UHFFFAOYSA-N 1 3 340.471 2.313 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCF)C1CCCCC1 ZINC001482406640 1185630351 /nfs/dbraw/zinc/63/03/51/1185630351.db2.gz NBNIZRHKSNWCKY-IAGOWNOFSA-N 1 3 327.488 2.483 10 0 EEAEHO COCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001482468098 1185971837 /nfs/dbraw/zinc/97/18/37/1185971837.db2.gz IWLOZIWQENBMQQ-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1ccccc1F ZINC001482554563 1186717221 /nfs/dbraw/zinc/71/72/21/1186717221.db2.gz VLWFEMFYZAZMMH-QFBILLFUSA-N 1 3 349.494 2.440 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cccc(COC)c1 ZINC001691623533 1188323552 /nfs/dbraw/zinc/32/35/52/1188323552.db2.gz ZXPBHMYCMSDQKI-IBGZPJMESA-N 1 3 347.503 2.255 10 0 EEAEHO C[C@@H](C[NH2+]CCC[C@@H]1CCOC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001483227650 1189512715 /nfs/dbraw/zinc/51/27/15/1189512715.db2.gz NXVLUQXOOFXTDA-DLBZAZTESA-N 1 3 339.524 2.162 10 0 EEAEHO Cc1ncc(CN[C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C2)o1 ZINC001483915886 1191115187 /nfs/dbraw/zinc/11/51/87/1191115187.db2.gz JFANFSFOTTXFBZ-HOCLYGCPSA-N 1 3 336.480 2.184 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C3CC3)no2)C[C@H]1C ZINC001483915583 1191115194 /nfs/dbraw/zinc/11/51/94/1191115194.db2.gz YCUFYLONBSEKLZ-ZBFHGGJFSA-N 1 3 348.491 2.361 10 0 EEAEHO CN(CCC[N@H+](C)CC[C@H]1CC1(Cl)Cl)C(=O)Cc1c[nH]cn1 ZINC001484761500 1191502281 /nfs/dbraw/zinc/50/22/81/1191502281.db2.gz VWTJRBBPNMQDLX-LBPRGKRZSA-N 1 3 347.290 2.316 10 0 EEAEHO CN(CCC[N@@H+](C)CC[C@H]1CC1(Cl)Cl)C(=O)Cc1c[nH]cn1 ZINC001484761500 1191502282 /nfs/dbraw/zinc/50/22/82/1191502282.db2.gz VWTJRBBPNMQDLX-LBPRGKRZSA-N 1 3 347.290 2.316 10 0 EEAEHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCCN(C)Cc1ccccn1 ZINC001484769485 1191512722 /nfs/dbraw/zinc/51/27/22/1191512722.db2.gz WDLSXBAHNJLJTA-IAGOWNOFSA-N 1 3 332.492 2.235 10 0 EEAEHO CCOCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001484971923 1191597193 /nfs/dbraw/zinc/59/71/93/1191597193.db2.gz JPZPGLOJGZTRLO-DLBZAZTESA-N 1 3 339.524 2.257 10 0 EEAEHO CCOCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001484971923 1191597194 /nfs/dbraw/zinc/59/71/94/1191597194.db2.gz JPZPGLOJGZTRLO-DLBZAZTESA-N 1 3 339.524 2.257 10 0 EEAEHO CN(C(=O)[C@@H]1CCCN1C)C1CCC([NH2+]CCOC2CCC2)CC1 ZINC001485237926 1191702093 /nfs/dbraw/zinc/70/20/93/1191702093.db2.gz WSHNJNXHPLGFSB-HTWSVDAQSA-N 1 3 337.508 2.009 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001486451391 1193966353 /nfs/dbraw/zinc/96/63/53/1193966353.db2.gz NLFKTQPSGDEGAC-WMZOPIPTSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN(Cc2ccccc2C2CC2)C1 ZINC001409950059 1194131867 /nfs/dbraw/zinc/13/18/67/1194131867.db2.gz SZDGYMXYGXLQQS-OAHLLOKOSA-N 1 3 329.488 2.452 10 0 EEAEHO Cc1ncc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]3C2)o1 ZINC001410189617 1197594648 /nfs/dbraw/zinc/59/46/48/1197594648.db2.gz PQADBYRVKZTSGM-YESZJQIVSA-N 1 3 348.491 2.040 10 0 EEAEHO Cc1ncc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]3C2)o1 ZINC001410189617 1197594652 /nfs/dbraw/zinc/59/46/52/1197594652.db2.gz PQADBYRVKZTSGM-YESZJQIVSA-N 1 3 348.491 2.040 10 0 EEAEHO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N(C)CCCCCC[NH3+] ZINC000872155030 1198062073 /nfs/dbraw/zinc/06/20/73/1198062073.db2.gz KQTQCOFHDDSTTF-ZDUSSCGKSA-N 1 3 338.427 2.313 10 0 EEAEHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000872297529 1198134674 /nfs/dbraw/zinc/13/46/74/1198134674.db2.gz OUILEZXMCHDZMA-JMVFIXPQSA-N 1 3 343.471 2.076 10 0 EEAEHO CN(C)C1(C(=O)NC/C=C/C[NH2+][C@H]2CCc3ccccc32)CCC1 ZINC001274088136 1204364220 /nfs/dbraw/zinc/36/42/20/1204364220.db2.gz GEPZXXNYKPCZGD-QWNKOJSDSA-N 1 3 327.472 2.420 10 0 EEAEHO C[C@H]([NH2+]C/C=C\CNC(=O)CN1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC001274368343 1205012074 /nfs/dbraw/zinc/01/20/74/1205012074.db2.gz LGZUTJHQDWDQDA-JNXQLMTMSA-N 1 3 333.451 2.491 10 0 EEAEHO CC[C@H](C(=O)N1CCC(C)([NH2+]CCCOC(C)C)CC1)N(C)C ZINC001274394186 1205019309 /nfs/dbraw/zinc/01/93/09/1205019309.db2.gz XMEKFGVDNCCKPF-MRXNPFEDSA-N 1 3 327.513 2.112 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC/C=C\C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001274533980 1205070066 /nfs/dbraw/zinc/07/00/66/1205070066.db2.gz HKAJFBNQNNEETC-SFAKSCPVSA-N 1 3 340.418 2.348 10 0 EEAEHO Cc1ncc(CNCCCN(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)o1 ZINC001276093295 1205778638 /nfs/dbraw/zinc/77/86/38/1205778638.db2.gz PLTIGLJZSPGDFD-QGZVFWFLSA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1ncc(CNCCCN(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)o1 ZINC001276093295 1205778640 /nfs/dbraw/zinc/77/86/40/1205778640.db2.gz PLTIGLJZSPGDFD-QGZVFWFLSA-N 1 3 336.480 2.042 10 0 EEAEHO CCN1CCN(c2cccc(NC(=O)N3C[C@@H]([NH3+])C(C)(C)C3)c2)CC1 ZINC000926095212 1206191441 /nfs/dbraw/zinc/19/14/41/1206191441.db2.gz IQQYEMCUDYWRJZ-QGZVFWFLSA-N 1 3 345.491 2.030 10 0 EEAEHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@H](O)c1cccc(Br)c1 ZINC000926362772 1206215734 /nfs/dbraw/zinc/21/57/34/1206215734.db2.gz YJMYPGSOKRCOOY-CSOLROPVSA-N 1 3 339.277 2.412 10 0 EEAEHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@H](O)c1cccc(Br)c1 ZINC000926362772 1206215735 /nfs/dbraw/zinc/21/57/35/1206215735.db2.gz YJMYPGSOKRCOOY-CSOLROPVSA-N 1 3 339.277 2.412 10 0 EEAEHO C[C@]12CN(C[C@@H](O)C3(O)CCCC3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000931612866 1207425385 /nfs/dbraw/zinc/42/53/85/1207425385.db2.gz KCBZDNPUZXICKA-AQNXPRMDSA-N 1 3 344.499 2.106 10 0 EEAEHO C[C@]12CN(C[C@@H](O)C3(O)CCCC3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000931612866 1207425387 /nfs/dbraw/zinc/42/53/87/1207425387.db2.gz KCBZDNPUZXICKA-AQNXPRMDSA-N 1 3 344.499 2.106 10 0 EEAEHO Cc1cc(=O)oc2cc(OCC[N@H+]3C[C@H]4CN(C)C[C@@]4(C)C3)ccc12 ZINC000933740552 1207831904 /nfs/dbraw/zinc/83/19/04/1207831904.db2.gz KQKIBXJFOUECND-QRWLVFNGSA-N 1 3 342.439 2.364 10 0 EEAEHO Cc1cc(=O)oc2cc(OCC[N@@H+]3C[C@H]4CN(C)C[C@@]4(C)C3)ccc12 ZINC000933740552 1207831905 /nfs/dbraw/zinc/83/19/05/1207831905.db2.gz KQKIBXJFOUECND-QRWLVFNGSA-N 1 3 342.439 2.364 10 0 EEAEHO CO[C@H](CN1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)[C@H]1CCOC1 ZINC001413048388 1217951653 /nfs/dbraw/zinc/95/16/53/1217951653.db2.gz AGWWKIJEZBEMCN-BQJUDKOJSA-N 1 3 344.499 2.492 10 0 EEAEHO CO[C@H](CN1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)[C@H]1CCOC1 ZINC001413048388 1217951657 /nfs/dbraw/zinc/95/16/57/1217951657.db2.gz AGWWKIJEZBEMCN-BQJUDKOJSA-N 1 3 344.499 2.492 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc(Cl)n1 ZINC000827837844 1248819330 /nfs/dbraw/zinc/81/93/30/1248819330.db2.gz MJQSSGAWDYPJHR-HIFRSBDPSA-N 1 3 338.883 2.280 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc(Cl)n1 ZINC000827837844 1248819335 /nfs/dbraw/zinc/81/93/35/1248819335.db2.gz MJQSSGAWDYPJHR-HIFRSBDPSA-N 1 3 338.883 2.280 10 0 EEAEHO CCN(Cc1ccc2c(c1)OCO2)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903876144 1242275491 /nfs/dbraw/zinc/27/54/91/1242275491.db2.gz DMOBHVMBCODWLO-INIZCTEOSA-N 1 3 344.459 2.097 10 0 EEAEHO O[C@H](C[C@@H]1COCCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000903896953 1242377432 /nfs/dbraw/zinc/37/74/32/1242377432.db2.gz BVQYTNCFXDCPLF-CUCSMPGESA-N 1 3 330.472 2.342 10 0 EEAEHO C[NH+](C)CCCC(=O)N1CCC[C@@H]2CN(C/C=C/Cl)CC[C@@H]21 ZINC001490984920 1258540629 /nfs/dbraw/zinc/54/06/29/1258540629.db2.gz VGGFAPYVJVMNMY-ZZQZRYSSSA-N 1 3 327.900 2.394 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC2(CC[N@@H+](CC[C@@H](C)F)C2)CC1 ZINC001495606099 1258721951 /nfs/dbraw/zinc/72/19/51/1258721951.db2.gz NSARBJKYVHUZQC-MRXNPFEDSA-N 1 3 327.488 2.389 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC2(CC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001495606099 1258721955 /nfs/dbraw/zinc/72/19/55/1258721955.db2.gz NSARBJKYVHUZQC-MRXNPFEDSA-N 1 3 327.488 2.389 10 0 EEAEHO CCCCOCC[N@@H+]1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001273445229 1278416740 /nfs/dbraw/zinc/41/67/40/1278416740.db2.gz JVTGWUXWJNZSBW-QZTJIDSGSA-N 1 3 339.524 2.116 10 0 EEAEHO CCCCOCC[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001273445229 1278416743 /nfs/dbraw/zinc/41/67/43/1278416743.db2.gz JVTGWUXWJNZSBW-QZTJIDSGSA-N 1 3 339.524 2.116 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@H]1CCCN(Cc2ccccn2)CC1 ZINC001273468134 1278559276 /nfs/dbraw/zinc/55/92/76/1278559276.db2.gz XCTSYFBBCWBATE-KRWDZBQOSA-N 1 3 332.492 2.284 10 0 EEAEHO COCCC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001489238222 1290487692 /nfs/dbraw/zinc/48/76/92/1290487692.db2.gz ITXNJSZNDZLDTG-QGZVFWFLSA-N 1 3 341.540 2.362 10 0 EEAEHO CC[C@@H](CNC(=O)C=C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000852859145 1292218016 /nfs/dbraw/zinc/21/80/16/1292218016.db2.gz QNPYSCKIMRJAGM-IBGZPJMESA-N 1 3 327.472 2.249 10 0 EEAEHO C[C@@H]1CCN(C(=O)C=C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000852872493 1292223482 /nfs/dbraw/zinc/22/34/82/1292223482.db2.gz OQNAJLZJVRNZKB-QGZVFWFLSA-N 1 3 327.472 2.419 10 0 EEAEHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(Cc2cc3ccccc3o2)CC1 ZINC000863549494 1296330164 /nfs/dbraw/zinc/33/01/64/1296330164.db2.gz LBEHXIOFBPGOKY-FUHWJXTLSA-N 1 3 341.411 2.190 10 0 EEAEHO CC[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1[NH2+]CCOC ZINC001276774274 1297587447 /nfs/dbraw/zinc/58/74/47/1297587447.db2.gz XOADYRHVVVSVLC-HKUYNNGSSA-N 1 3 347.503 2.225 10 0 EEAEHO C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)NCc1cccnc1 ZINC001491561565 1304829748 /nfs/dbraw/zinc/82/97/48/1304829748.db2.gz YWRBOJPVEHDLLF-VQIMIIECSA-N 1 3 344.503 2.473 10 0 EEAEHO C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)NCc1cccnc1 ZINC001491561565 1304829759 /nfs/dbraw/zinc/82/97/59/1304829759.db2.gz YWRBOJPVEHDLLF-VQIMIIECSA-N 1 3 344.503 2.473 10 0 EEAEHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CC[C@@H]2CCCCO2)CCC1 ZINC001277866806 1304975715 /nfs/dbraw/zinc/97/57/15/1304975715.db2.gz YTDJJBSKPVWGNC-SJORKVTESA-N 1 3 337.508 2.011 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCF)C1CCCC1 ZINC001278276505 1308950108 /nfs/dbraw/zinc/95/01/08/1308950108.db2.gz WGXLERWHSNLHBE-SJORKVTESA-N 1 3 327.488 2.483 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCOc2ccccc2)C1)N(C)C ZINC001278549996 1317210163 /nfs/dbraw/zinc/21/01/63/1317210163.db2.gz IYCYGHZQNMYAJX-AZUAARDMSA-N 1 3 347.503 2.234 10 0 EEAEHO CCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C(F)(F)F ZINC001264039433 1322595866 /nfs/dbraw/zinc/59/58/66/1322595866.db2.gz VHZMMMCXDCHNHY-KGLIPLIRSA-N 1 3 349.441 2.497 10 0 EEAEHO CCC[NH2+]C[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001265623858 1323275401 /nfs/dbraw/zinc/27/54/01/1323275401.db2.gz FZIANHFVCDMTET-QAPCUYQASA-N 1 3 327.488 2.437 10 0 EEAEHO CCOCCN1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001265655805 1323300967 /nfs/dbraw/zinc/30/09/67/1323300967.db2.gz PJISRTMUMLWSAK-LJQANCHMSA-N 1 3 347.503 2.369 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC[C@@H](C)O)CCC1 ZINC001280521911 1324273820 /nfs/dbraw/zinc/27/38/20/1324273820.db2.gz FTXPUQLCROMYGA-IAGOWNOFSA-N 1 3 339.524 2.039 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001281455901 1325119310 /nfs/dbraw/zinc/11/93/10/1325119310.db2.gz AKQSYRZPQHTEMS-KGLIPLIRSA-N 1 3 337.430 2.497 10 0 EEAEHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cnoc1C)N(C)C ZINC001492164636 1331029080 /nfs/dbraw/zinc/02/90/80/1331029080.db2.gz CEHHPWWKHNKFLB-SJORKVTESA-N 1 3 336.480 2.184 10 0 EEAEHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1cnoc1C)N(C)C ZINC001492164636 1331029085 /nfs/dbraw/zinc/02/90/85/1331029085.db2.gz CEHHPWWKHNKFLB-SJORKVTESA-N 1 3 336.480 2.184 10 0 EEAEHO Cc1ncccc1CN(C)CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001316870181 1331940532 /nfs/dbraw/zinc/94/05/32/1331940532.db2.gz NGVUFPBEFXPEDO-IYBDPMFKSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1ncccc1CN(C)CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001316870181 1331940536 /nfs/dbraw/zinc/94/05/36/1331940536.db2.gz NGVUFPBEFXPEDO-IYBDPMFKSA-N 1 3 332.492 2.201 10 0 EEAEHO CC1CCN(CC(=O)N2CCC[C@H](C[NH2+]C/C=C\Cl)C2)CC1 ZINC001317162983 1332106894 /nfs/dbraw/zinc/10/68/94/1332106894.db2.gz YBXCUMLZZDSVLI-NKPXIPJASA-N 1 3 327.900 2.299 10 0 EEAEHO Cc1ccccc1CCC[NH2+][C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001317266449 1332158658 /nfs/dbraw/zinc/15/86/58/1332158658.db2.gz WULAISPWVDPPOC-WMZOPIPTSA-N 1 3 331.504 2.364 10 0 EEAEHO CN(CC(=O)N(C)CC[NH2+]CCc1cccs1)CC(C)(C)C ZINC001317625497 1332334602 /nfs/dbraw/zinc/33/46/02/1332334602.db2.gz GDFJLJRXJXQFOT-UHFFFAOYSA-N 1 3 325.522 2.317 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]Cc2cncc(F)c2)C1 ZINC001318819227 1332603963 /nfs/dbraw/zinc/60/39/63/1332603963.db2.gz DBDLNDBTMGPNES-MAUKXSAKSA-N 1 3 348.466 2.033 10 0 EEAEHO C[C@@H](C[NH2+]CC[C@H]1CCCCO1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001319533960 1332716799 /nfs/dbraw/zinc/71/67/99/1332716799.db2.gz MDUUPYMOEMKJQI-DLBZAZTESA-N 1 3 341.540 2.360 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CCNCc2cnc(C)o2)C1 ZINC001320527554 1332902909 /nfs/dbraw/zinc/90/29/09/1332902909.db2.gz ANJWFEAUTSBKMQ-GDBMZVCRSA-N 1 3 336.480 2.089 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CCNCc2cnc(C)o2)C1 ZINC001320527554 1332902913 /nfs/dbraw/zinc/90/29/13/1332902913.db2.gz ANJWFEAUTSBKMQ-GDBMZVCRSA-N 1 3 336.480 2.089 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCNCc2conc2C)C1 ZINC001320531065 1332904842 /nfs/dbraw/zinc/90/48/42/1332904842.db2.gz XMADWAHCUUPWMK-GOEBONIOSA-N 1 3 336.480 2.089 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCNCc2conc2C)C1 ZINC001320531065 1332904845 /nfs/dbraw/zinc/90/48/45/1332904845.db2.gz XMADWAHCUUPWMK-GOEBONIOSA-N 1 3 336.480 2.089 10 0 EEAEHO CCN(CCNCc1cccnc1C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001320766346 1332948287 /nfs/dbraw/zinc/94/82/87/1332948287.db2.gz INBHSJMPMZDMGO-UHFFFAOYSA-N 1 3 344.503 2.204 10 0 EEAEHO C[C@H](NC/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1cccc(F)c1 ZINC001321064749 1333009515 /nfs/dbraw/zinc/00/95/15/1333009515.db2.gz OPVVCLLWOCHTFF-JDDKEMAESA-N 1 3 345.462 2.491 10 0 EEAEHO C[C@@H](NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(F)cc1 ZINC001321067696 1333010707 /nfs/dbraw/zinc/01/07/07/1333010707.db2.gz XMAXEGDRWLOJST-KWNLBSCQSA-N 1 3 333.451 2.489 10 0 EEAEHO C[C@@H](NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(F)cc1 ZINC001321067696 1333010711 /nfs/dbraw/zinc/01/07/11/1333010711.db2.gz XMAXEGDRWLOJST-KWNLBSCQSA-N 1 3 333.451 2.489 10 0 EEAEHO CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccc2ncccc2c1)N(C)C ZINC001321253886 1333056554 /nfs/dbraw/zinc/05/65/54/1333056554.db2.gz YCZLHJQDBGHZTI-UEKDZROGSA-N 1 3 340.471 2.337 10 0 EEAEHO CCOCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001324864226 1333776541 /nfs/dbraw/zinc/77/65/41/1333776541.db2.gz HULGAGIFAUAJEG-QGZVFWFLSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cc(CNCC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)on1 ZINC001326351909 1334074817 /nfs/dbraw/zinc/07/48/17/1334074817.db2.gz XHQDOIBOLALZBR-ULQDDVLXSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1cc(CNCC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)on1 ZINC001326351909 1334074821 /nfs/dbraw/zinc/07/48/21/1334074821.db2.gz XHQDOIBOLALZBR-ULQDDVLXSA-N 1 3 348.491 2.042 10 0 EEAEHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(Cl)n1 ZINC001328353062 1334449129 /nfs/dbraw/zinc/44/91/29/1334449129.db2.gz ZNEWGERPLACINU-ZDUSSCGKSA-N 1 3 338.883 2.204 10 0 EEAEHO Cn1c(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)cnc1Cl ZINC000848556163 1338721241 /nfs/dbraw/zinc/72/12/41/1338721241.db2.gz OLRYASJYDYSHDR-UHFFFAOYSA-N 1 3 348.878 2.190 10 0 EEAEHO C[NH+](C)CC[C@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC001434355248 1341830861 /nfs/dbraw/zinc/83/08/61/1341830861.db2.gz LBGHMYZUQKZLJC-HKUYNNGSSA-N 1 3 344.503 2.094 10 0 EEAEHO C[C@H](F)CC[NH2+]CC[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001570009523 1342998324 /nfs/dbraw/zinc/99/83/24/1342998324.db2.gz IOLPKAXRQSMGSX-DLBZAZTESA-N 1 3 327.488 2.295 10 0 EEAEHO C[N@H+](CCCNC(=O)C(C)(C)N1CCCCC1)C[C@@H]1CCCOC1 ZINC001660145243 1354404004 /nfs/dbraw/zinc/40/40/04/1354404004.db2.gz CPWJWYGGHYYTTB-KRWDZBQOSA-N 1 3 339.524 2.116 10 0 EEAEHO C[N@@H+](CCCNC(=O)C(C)(C)N1CCCCC1)C[C@@H]1CCCOC1 ZINC001660145243 1354404006 /nfs/dbraw/zinc/40/40/06/1354404006.db2.gz CPWJWYGGHYYTTB-KRWDZBQOSA-N 1 3 339.524 2.116 10 0 EEAEHO Cc1nc(C)c(CN(C)CCCNC(=O)C[C@H]2CC[N@H+](C)C2)s1 ZINC001660369169 1354450869 /nfs/dbraw/zinc/45/08/69/1354450869.db2.gz QMUFGNDSWRAUJW-OAHLLOKOSA-N 1 3 338.521 2.040 10 0 EEAEHO Cc1nc(C)c(CN(C)CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)s1 ZINC001660369169 1354450873 /nfs/dbraw/zinc/45/08/73/1354450873.db2.gz QMUFGNDSWRAUJW-OAHLLOKOSA-N 1 3 338.521 2.040 10 0 EEAEHO CN(C)C1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCOCC2CC2)CCC1 ZINC001661530815 1354650631 /nfs/dbraw/zinc/65/06/31/1354650631.db2.gz XUHREQWWFRAMGP-AYHJJNSGSA-N 1 3 349.519 2.009 10 0 EEAEHO CN(C)C1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOCC2CC2)CCC1 ZINC001661530815 1354650635 /nfs/dbraw/zinc/65/06/35/1354650635.db2.gz XUHREQWWFRAMGP-AYHJJNSGSA-N 1 3 349.519 2.009 10 0 EEAEHO CN(CC(=O)N1CC[C@H](C[NH2+]CCc2ccccc2)C1)C1CCC1 ZINC001662641626 1354818345 /nfs/dbraw/zinc/81/83/45/1354818345.db2.gz SZYXUOVQUVLQPW-GOSISDBHSA-N 1 3 329.488 2.152 10 0 EEAEHO CN(CCNCc1ccc(F)c(F)c1)C(=O)C12CCC[NH+]1CCC2 ZINC001664044118 1355080380 /nfs/dbraw/zinc/08/03/80/1355080380.db2.gz ORSWMZNPOBMAPR-UHFFFAOYSA-N 1 3 337.414 2.141 10 0 EEAEHO CN(CCNCc1ccc(Cl)c(Cl)c1)C(=O)CC[NH+](C)C ZINC001664165104 1355105495 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CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CCCCCF)CC1 ZINC001664884246 1355251044 /nfs/dbraw/zinc/25/10/44/1355251044.db2.gz GAAGKVPCCHHKQY-QGZVFWFLSA-N 1 3 327.488 2.391 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc(Cl)nc1 ZINC001668319155 1355922749 /nfs/dbraw/zinc/92/27/49/1355922749.db2.gz DVJHTYUTZLNLTM-ZDUSSCGKSA-N 1 3 326.872 2.060 10 0 EEAEHO Cc1cccnc1CNC[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001671368815 1356332553 /nfs/dbraw/zinc/33/25/53/1356332553.db2.gz MNKGCSAVCVZMEC-KRWDZBQOSA-N 1 3 332.492 2.203 10 0 EEAEHO Cc1nocc1CNCC[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001672809500 1356589173 /nfs/dbraw/zinc/58/91/73/1356589173.db2.gz CIHGQBKVUQBOAD-FUHWJXTLSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1nocc1CNCC[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001672809500 1356589177 /nfs/dbraw/zinc/58/91/77/1356589177.db2.gz CIHGQBKVUQBOAD-FUHWJXTLSA-N 1 3 348.491 2.186 10 0 EEAEHO CCc1nocc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001672816913 1356591509 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10 0 EEAEHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1c(C)nsc1C ZINC001440844735 1094102481 /nfs/dbraw/zinc/10/24/81/1094102481.db2.gz DOUQHGWFKVLKLF-VXGBXAGGSA-N 1 3 326.510 2.085 10 0 EEAEHO COc1cc(CN(C)[C@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)ccc1C ZINC001440993360 1094260469 /nfs/dbraw/zinc/26/04/69/1094260469.db2.gz CHFKZVZXKUVLPD-AEFFLSMTSA-N 1 3 347.503 2.282 10 0 EEAEHO COc1cc(CN(C)[C@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)ccc1C ZINC001440993360 1094260476 /nfs/dbraw/zinc/26/04/76/1094260476.db2.gz CHFKZVZXKUVLPD-AEFFLSMTSA-N 1 3 347.503 2.282 10 0 EEAEHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)on1 ZINC001441362982 1094883646 /nfs/dbraw/zinc/88/36/46/1094883646.db2.gz BAVOQQZOXAMIHK-JFIYKMOQSA-N 1 3 348.491 2.088 10 0 EEAEHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1)N(C)C ZINC001441400952 1094971241 /nfs/dbraw/zinc/97/12/41/1094971241.db2.gz TVAVTQRZKPRGTK-ZQDZILKHSA-N 1 3 331.451 2.389 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)C(C)(C)C1 ZINC001441942579 1096140442 /nfs/dbraw/zinc/14/04/42/1096140442.db2.gz XHSPWLKGRKVDMA-UEDYQVLESA-N 1 3 327.900 2.440 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)NCc2cc(C)ns2)C1 ZINC001441944239 1096143473 /nfs/dbraw/zinc/14/34/73/1096143473.db2.gz UMQVRHJBDSGORF-GJZGRUSLSA-N 1 3 338.521 2.168 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)NCc2cc(C)ns2)C1 ZINC001441944239 1096143476 /nfs/dbraw/zinc/14/34/76/1096143476.db2.gz UMQVRHJBDSGORF-GJZGRUSLSA-N 1 3 338.521 2.168 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001441955845 1096156692 /nfs/dbraw/zinc/15/66/92/1096156692.db2.gz WQOYEDHRYXXDDO-GJZGRUSLSA-N 1 3 328.460 2.104 10 0 EEAEHO CO[C@@H](C)C[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001442209453 1096497760 /nfs/dbraw/zinc/49/77/60/1096497760.db2.gz HMLWMICSBWYIEM-JKSUJKDBSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1cnc(CN[C@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC001442306758 1096621711 /nfs/dbraw/zinc/62/17/11/1096621711.db2.gz 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292346271 /nfs/dbraw/zinc/34/62/71/292346271.db2.gz VOMXXISUIWPPER-KURKYZTESA-N 1 3 338.540 2.479 10 0 EEAEHO CCN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000194077209 160190519 /nfs/dbraw/zinc/19/05/19/160190519.db2.gz GQXGUDMJJYCMDD-RBUKOAKNSA-N 1 3 344.503 2.292 10 0 EEAEHO CCN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000194077209 160190521 /nfs/dbraw/zinc/19/05/21/160190521.db2.gz GQXGUDMJJYCMDD-RBUKOAKNSA-N 1 3 344.503 2.292 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)[C@@]1(F)CCNC1 ZINC000246219890 160268890 /nfs/dbraw/zinc/26/88/90/160268890.db2.gz GOYQFSWHWFJLHU-NDUPCHFUSA-N 1 3 347.478 2.303 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)[C@@]1(F)CCNC1 ZINC000246219890 160268891 /nfs/dbraw/zinc/26/88/91/160268891.db2.gz GOYQFSWHWFJLHU-NDUPCHFUSA-N 1 3 347.478 2.303 10 0 EEAEHO C[NH+]1CCC(CC(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000291721035 275333496 /nfs/dbraw/zinc/33/34/96/275333496.db2.gz BFJCJMFNPXTVCO-LJQANCHMSA-N 1 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313718213 /nfs/dbraw/zinc/71/82/13/313718213.db2.gz WYONFRMSPILSDG-UHFFFAOYSA-N 1 3 330.520 2.402 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000448471770 315371601 /nfs/dbraw/zinc/37/16/01/315371601.db2.gz MDUUPMVILFAPMI-AEFFLSMTSA-N 1 3 336.524 2.233 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000448471770 315371603 /nfs/dbraw/zinc/37/16/03/315371603.db2.gz MDUUPMVILFAPMI-AEFFLSMTSA-N 1 3 336.524 2.233 10 0 EEAEHO CCO[C@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)C12CCC2 ZINC000538546748 318037330 /nfs/dbraw/zinc/03/73/30/318037330.db2.gz QCZPMZBWSJBYHN-BBWFWOEESA-N 1 3 339.524 2.016 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2cnccc2c1 ZINC000578220685 320301609 /nfs/dbraw/zinc/30/16/09/320301609.db2.gz YTTPYBLNFCLWEU-UHFFFAOYSA-N 1 3 329.448 2.192 10 0 EEAEHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000580548718 324084670 /nfs/dbraw/zinc/08/46/70/324084670.db2.gz FCHJKBCYXYZUHH-GJYPPUQNSA-N 1 3 344.503 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/nfs/dbraw/zinc/64/87/71/463648771.db2.gz OKXIGNLZDBOCAO-QGZVFWFLSA-N 1 3 326.529 2.384 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)C2(N)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261869670 463883870 /nfs/dbraw/zinc/88/38/70/463883870.db2.gz NXSNFTWSGXJCDN-AEFFLSMTSA-N 1 3 345.487 2.006 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)C2(N)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261869670 463883876 /nfs/dbraw/zinc/88/38/76/463883876.db2.gz NXSNFTWSGXJCDN-AEFFLSMTSA-N 1 3 345.487 2.006 10 0 EEAEHO CN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000186215446 463953144 /nfs/dbraw/zinc/95/31/44/463953144.db2.gz HHEFGYCKQWAMEW-GOSISDBHSA-N 1 3 332.492 2.244 10 0 EEAEHO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245674748 464504898 /nfs/dbraw/zinc/50/48/98/464504898.db2.gz SWQGUKJHJYRKEB-MSOLQXFVSA-N 1 3 332.492 2.463 10 0 EEAEHO CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245674748 464504902 /nfs/dbraw/zinc/50/49/02/464504902.db2.gz SWQGUKJHJYRKEB-MSOLQXFVSA-N 1 3 332.492 2.463 10 0 EEAEHO CC(C)[NH+]1CCC(NC(=O)N2CCc3ccccc3[C@H]2CN)CC1 ZINC000579833840 468420784 /nfs/dbraw/zinc/42/07/84/468420784.db2.gz ISVWQDPUIPSIRX-GOSISDBHSA-N 1 3 330.476 2.127 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000176252918 464732081 /nfs/dbraw/zinc/73/20/81/464732081.db2.gz QQXWVQWKWPRITC-OALUTQOASA-N 1 3 346.519 2.285 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000176252918 464732082 /nfs/dbraw/zinc/73/20/82/464732082.db2.gz QQXWVQWKWPRITC-OALUTQOASA-N 1 3 346.519 2.285 10 0 EEAEHO CC(C)N1CCN(CCC[NH+]2CCC(Cc3nccn3C)CC2)CC1 ZINC000192735575 464987567 /nfs/dbraw/zinc/98/75/67/464987567.db2.gz XWXWQVSODZVJLR-UHFFFAOYSA-N 1 3 347.551 2.091 10 0 EEAEHO CCS[C@@H]1CC[C@@H](N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000362384027 465695640 /nfs/dbraw/zinc/69/56/40/465695640.db2.gz CQCUBJBXBQLLMV-IAGOWNOFSA-N 1 3 339.549 2.335 10 0 EEAEHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000340146874 465813646 /nfs/dbraw/zinc/81/36/46/465813646.db2.gz HSOPRBHOLNGXIP-NZSAHSFTSA-N 1 3 344.503 2.463 10 0 EEAEHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000340146874 465813655 /nfs/dbraw/zinc/81/36/55/465813655.db2.gz HSOPRBHOLNGXIP-NZSAHSFTSA-N 1 3 344.503 2.463 10 0 EEAEHO Cc1ccc2nccc(N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)c2c1 ZINC000302240118 466125312 /nfs/dbraw/zinc/12/53/12/466125312.db2.gz XHMPGYVYYWRUOA-LJQANCHMSA-N 1 3 338.455 2.462 10 0 EEAEHO Cc1ccc2nccc(N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)c2c1 ZINC000302240118 466125318 /nfs/dbraw/zinc/12/53/18/466125318.db2.gz XHMPGYVYYWRUOA-LJQANCHMSA-N 1 3 338.455 2.462 10 0 EEAEHO CN1CC[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000367538613 466401133 /nfs/dbraw/zinc/40/11/33/466401133.db2.gz QXOHPSVLSUJAQU-PCCBWWKXSA-N 1 3 343.515 2.481 10 0 EEAEHO C[N@@H+]1CC[C@H](NCc2ccccc2CN2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000367538613 466401137 /nfs/dbraw/zinc/40/11/37/466401137.db2.gz QXOHPSVLSUJAQU-PCCBWWKXSA-N 1 3 343.515 2.481 10 0 EEAEHO C[N@H+]1CC[C@H](NCc2ccccc2CN2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000367538613 466401145 /nfs/dbraw/zinc/40/11/45/466401145.db2.gz QXOHPSVLSUJAQU-PCCBWWKXSA-N 1 3 343.515 2.481 10 0 EEAEHO C[N@@H+]1CC[C@H](NCc2ccccc2Cn2cncn2)[C@@H]2CCC[C@H]21 ZINC000367618915 466451864 /nfs/dbraw/zinc/45/18/64/466451864.db2.gz OYNGGIGUUUIVSB-GBESFXJTSA-N 1 3 325.460 2.289 10 0 EEAEHO C[N@H+]1CC[C@H](NCc2ccccc2Cn2cncn2)[C@@H]2CCC[C@H]21 ZINC000367618915 466451870 /nfs/dbraw/zinc/45/18/70/466451870.db2.gz OYNGGIGUUUIVSB-GBESFXJTSA-N 1 3 325.460 2.289 10 0 EEAEHO CC1=CCN(CCNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000358181223 466519060 /nfs/dbraw/zinc/51/90/60/466519060.db2.gz CKRQHXKYQIDKAN-GOSISDBHSA-N 1 3 330.476 2.241 10 0 EEAEHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(-c3cccnc3)n[nH]2)C[C@@H](C)O1 ZINC000368452665 466640976 /nfs/dbraw/zinc/64/09/76/466640976.db2.gz DEVLRVIQSGBVFK-HZPDHXFCSA-N 1 3 343.475 2.451 10 0 EEAEHO CC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H](O)C(F)F ZINC000423153481 466693890 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EEAEHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414930025 467452111 /nfs/dbraw/zinc/45/21/11/467452111.db2.gz ALFKLMGUXZPQFB-IPYPFGDCSA-N 1 3 335.448 2.009 10 0 EEAEHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CCNC[C@H]2C)c1 ZINC000414930025 467452115 /nfs/dbraw/zinc/45/21/15/467452115.db2.gz ALFKLMGUXZPQFB-IPYPFGDCSA-N 1 3 335.448 2.009 10 0 EEAEHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453131870 467462398 /nfs/dbraw/zinc/46/23/98/467462398.db2.gz ULBOAFSXFXHREP-HNNXBMFYSA-N 1 3 328.460 2.194 10 0 EEAEHO CCN1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1=O ZINC000453369771 467483573 /nfs/dbraw/zinc/48/35/73/467483573.db2.gz STDMCNPWWYEISY-OKYOBFRVSA-N 1 3 327.472 2.392 10 0 EEAEHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000439213652 467566794 /nfs/dbraw/zinc/56/67/94/467566794.db2.gz MDZSKZJJNODPEF-JZXOWHBKSA-N 1 3 339.524 2.159 10 0 EEAEHO CCCn1nccc1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000582309483 468522444 /nfs/dbraw/zinc/52/24/44/468522444.db2.gz GFUVSQADDUWJEO-UHFFFAOYSA-N 1 3 347.507 2.428 10 0 EEAEHO CC[NH+](CC)CCSCC(=O)N1CCc2ccccc2[C@H]1CN ZINC000592965722 468829277 /nfs/dbraw/zinc/82/92/77/468829277.db2.gz CTZBVBVVEXQOAN-QGZVFWFLSA-N 1 3 335.517 2.146 10 0 EEAEHO C[C@@H]1CCCCN1CCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000573134521 469069252 /nfs/dbraw/zinc/06/92/52/469069252.db2.gz MCZVSVOJNITFLN-IEBWSBKVSA-N 1 3 329.488 2.499 10 0 EEAEHO C[C@@H]1CCCCN1CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000573134521 469069258 /nfs/dbraw/zinc/06/92/58/469069258.db2.gz MCZVSVOJNITFLN-IEBWSBKVSA-N 1 3 329.488 2.499 10 0 EEAEHO CCc1ccccc1[C@H](N)CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000562808926 469079779 /nfs/dbraw/zinc/07/97/79/469079779.db2.gz ZFXKOXJEZXMPLP-CTNGQTDRSA-N 1 3 337.467 2.296 10 0 EEAEHO CC(C)N1CCN(CCC[NH2+][C@]2(CO)CCCC(C)(C)C2)CC1 ZINC000625837238 469405924 /nfs/dbraw/zinc/40/59/24/469405924.db2.gz QKNDSHQOBVNLPX-LJQANCHMSA-N 1 3 325.541 2.323 10 0 EEAEHO Cc1ccc(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c(OCCN(C)C)c1 ZINC000625862921 469415162 /nfs/dbraw/zinc/41/51/62/469415162.db2.gz WPZFFKOEWLKFDD-CABCVRRESA-N 1 3 334.464 2.197 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(F)c2ccncc12 ZINC000617502656 469701258 /nfs/dbraw/zinc/70/12/58/469701258.db2.gz XRKLSTAPAKXOSL-AWEZNQCLSA-N 1 3 346.450 2.376 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(F)c2ccncc12 ZINC000617502656 469701263 /nfs/dbraw/zinc/70/12/63/469701263.db2.gz XRKLSTAPAKXOSL-AWEZNQCLSA-N 1 3 346.450 2.376 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCc1c[nH]c2ccccc12 ZINC000617503524 469702520 /nfs/dbraw/zinc/70/25/20/469702520.db2.gz NCQCOLZEGGQODJ-INIZCTEOSA-N 1 3 344.503 2.489 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCc1c[nH]c2ccccc12 ZINC000617503524 469702523 /nfs/dbraw/zinc/70/25/23/469702523.db2.gz NCQCOLZEGGQODJ-INIZCTEOSA-N 1 3 344.503 2.489 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000617504510 469703784 /nfs/dbraw/zinc/70/37/84/469703784.db2.gz ZANDWANDWVFVHE-WBAXXEDZSA-N 1 3 335.467 2.317 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000617504510 469703789 /nfs/dbraw/zinc/70/37/89/469703789.db2.gz ZANDWANDWVFVHE-WBAXXEDZSA-N 1 3 335.467 2.317 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1[C@@H](C)[C@@H]1c1ccccc1 ZINC000617506909 469706606 /nfs/dbraw/zinc/70/66/06/469706606.db2.gz CAVBVKDBDRDZHA-DKKFBQAASA-N 1 3 331.504 2.424 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1[C@@H](C)[C@@H]1c1ccccc1 ZINC000617506909 469706609 /nfs/dbraw/zinc/70/66/09/469706609.db2.gz CAVBVKDBDRDZHA-DKKFBQAASA-N 1 3 331.504 2.424 10 0 EEAEHO C[C@@H](CNC(=O)NC[C@@H]1CCN1C1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000623601412 469707835 /nfs/dbraw/zinc/70/78/35/469707835.db2.gz CJDWFCQPGILEBU-RYRKJORJSA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@@H](CNC(=O)NC[C@@H]1CCN1C1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000623601412 469707839 /nfs/dbraw/zinc/70/78/39/469707839.db2.gz CJDWFCQPGILEBU-RYRKJORJSA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000617507862 469708036 /nfs/dbraw/zinc/70/80/36/469708036.db2.gz LZFBLCDVDAQQPH-BFHYXJOUSA-N 1 3 337.430 2.353 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000617507862 469708040 /nfs/dbraw/zinc/70/80/40/469708040.db2.gz LZFBLCDVDAQQPH-BFHYXJOUSA-N 1 3 337.430 2.353 10 0 EEAEHO Cc1ccc(CCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000617508071 469708075 /nfs/dbraw/zinc/70/80/75/469708075.db2.gz UBSKGCHWDLJMLT-AWEZNQCLSA-N 1 3 325.522 2.377 10 0 EEAEHO Cc1ccc(CCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000617508071 469708079 /nfs/dbraw/zinc/70/80/79/469708079.db2.gz UBSKGCHWDLJMLT-AWEZNQCLSA-N 1 3 325.522 2.377 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cncc(C(F)(F)F)c1 ZINC000617507761 469708138 /nfs/dbraw/zinc/70/81/38/469708138.db2.gz IQHXXNCWPOXBDN-LBPRGKRZSA-N 1 3 346.397 2.102 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cncc(C(F)(F)F)c1 ZINC000617507761 469708140 /nfs/dbraw/zinc/70/81/40/469708140.db2.gz IQHXXNCWPOXBDN-LBPRGKRZSA-N 1 3 346.397 2.102 10 0 EEAEHO C[C@H](CNC(=O)NC[C@H]1CCN1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000623721012 469744534 /nfs/dbraw/zinc/74/45/34/469744534.db2.gz FCBBCLKLLJDRNF-SJLPKXTDSA-N 1 3 336.524 2.423 10 0 EEAEHO CC(C)c1ccc([C@@H](N)CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000627072073 469806400 /nfs/dbraw/zinc/80/64/00/469806400.db2.gz YOZFAMHZVHAVFC-YSIASYRMSA-N 1 3 344.503 2.451 10 0 EEAEHO NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000624132615 469850942 /nfs/dbraw/zinc/85/09/42/469850942.db2.gz UPZHUAOAROKKPX-LTFXXXRZSA-N 1 3 327.472 2.141 10 0 EEAEHO Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000628051094 470047643 /nfs/dbraw/zinc/04/76/43/470047643.db2.gz VRUZNEXIEUKNIV-YTQUADARSA-N 1 3 331.504 2.487 10 0 EEAEHO Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000628051094 470047645 /nfs/dbraw/zinc/04/76/45/470047645.db2.gz VRUZNEXIEUKNIV-YTQUADARSA-N 1 3 331.504 2.487 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000625286488 470112064 /nfs/dbraw/zinc/11/20/64/470112064.db2.gz HIOBHDGTQFCAIW-BPQIPLTHSA-N 1 3 349.906 2.178 10 0 EEAEHO O[C@@]1(C[NH2+]C[C@@H]2CCN2C2CCCC2)CCN(Cc2ccccc2)C1 ZINC000634722269 470286413 /nfs/dbraw/zinc/28/64/13/470286413.db2.gz MOGBWHRDKDXDBH-LEWJYISDSA-N 1 3 343.515 2.230 10 0 EEAEHO C[C@@H]1CC[C@H](CN)[N@H+](CCCN2C(=O)c3ccccc3C2=O)[C@@H]1C ZINC000641805042 470488684 /nfs/dbraw/zinc/48/86/84/470488684.db2.gz DIISSYQHDSJDTG-RBSFLKMASA-N 1 3 329.444 2.120 10 0 EEAEHO C[C@@H]1CC[C@H](CN)[N@@H+](CCCN2C(=O)c3ccccc3C2=O)[C@@H]1C ZINC000641805042 470488687 /nfs/dbraw/zinc/48/86/87/470488687.db2.gz DIISSYQHDSJDTG-RBSFLKMASA-N 1 3 329.444 2.120 10 0 EEAEHO CCN(C(=O)NC/C=C\C[NH3+])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000641869649 470505296 /nfs/dbraw/zinc/50/52/96/470505296.db2.gz DVJGSCXLWYPXEK-UGKULVSSSA-N 1 3 330.476 2.368 10 0 EEAEHO COC[C@@]1(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CCCCN1 ZINC000638131298 470979492 /nfs/dbraw/zinc/97/94/92/470979492.db2.gz LFFGJTUPJMOXJI-YLJYHZDGSA-N 1 3 347.503 2.172 10 0 EEAEHO COC[C@@]1(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCCCN1 ZINC000638131298 470979496 /nfs/dbraw/zinc/97/94/96/470979496.db2.gz LFFGJTUPJMOXJI-YLJYHZDGSA-N 1 3 347.503 2.172 10 0 EEAEHO c1c(CNCC2CC[NH+](C3CCOCC3)CC2)nc2ccccn12 ZINC000657535668 471164328 /nfs/dbraw/zinc/16/43/28/471164328.db2.gz RHWFMORURIRMEA-UHFFFAOYSA-N 1 3 328.460 2.315 10 0 EEAEHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCOCCOc2ccccc2)C1 ZINC000652361330 471279208 /nfs/dbraw/zinc/27/92/08/471279208.db2.gz DDNCDLDTEJMOOG-RLLQIKCJSA-N 1 3 348.487 2.443 10 0 EEAEHO CCN(C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)[C@@H]1CCN(C)C1 ZINC000663559587 471426682 /nfs/dbraw/zinc/42/66/82/471426682.db2.gz FPTXHGLWQNAJMY-IAGOWNOFSA-N 1 3 326.529 2.479 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655915756 471537465 /nfs/dbraw/zinc/53/74/65/471537465.db2.gz XLBORNKKNSCTTL-KWCYVHTRSA-N 1 3 344.381 2.011 10 0 EEAEHO CN(C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)[C@H]1CCN(C2CC2)C1 ZINC000659292106 471570096 /nfs/dbraw/zinc/57/00/96/471570096.db2.gz BJQPMQBAJQPFBD-WMZOPIPTSA-N 1 3 327.472 2.374 10 0 EEAEHO CCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000666925084 471590995 /nfs/dbraw/zinc/59/09/95/471590995.db2.gz RADWIKJMFFRGSH-OALUTQOASA-N 1 3 344.503 2.387 10 0 EEAEHO CCC[N@H+]1CC[C@H](NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000666925084 471590999 /nfs/dbraw/zinc/59/09/99/471590999.db2.gz RADWIKJMFFRGSH-OALUTQOASA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000664087938 471633696 /nfs/dbraw/zinc/63/36/96/471633696.db2.gz SNKWICNQSCUEOR-TXPKVOOTSA-N 1 3 346.519 2.491 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000664087938 471633703 /nfs/dbraw/zinc/63/37/03/471633703.db2.gz SNKWICNQSCUEOR-TXPKVOOTSA-N 1 3 346.519 2.491 10 0 EEAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H](F)[C@H](N)C1)[NH+](C)C ZINC000659491849 471654386 /nfs/dbraw/zinc/65/43/86/471654386.db2.gz DMLIRQUKLIDSKC-SVGFKBNWSA-N 1 3 336.455 2.067 10 0 EEAEHO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000660107516 471863991 /nfs/dbraw/zinc/86/39/91/471863991.db2.gz ICEQFIWVFDOMFT-UHFFFAOYSA-N 1 3 341.521 2.147 10 0 EEAEHO CCC[N@@H+](C)CC(C)(C)NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000660107516 471863993 /nfs/dbraw/zinc/86/39/93/471863993.db2.gz ICEQFIWVFDOMFT-UHFFFAOYSA-N 1 3 341.521 2.147 10 0 EEAEHO [NH3+][C@@H]1C[C@H](NCc2ccc(CN3CC[C@H](O)C3)cc2)c2ccccc21 ZINC000665241014 471976881 /nfs/dbraw/zinc/97/68/81/471976881.db2.gz XWNCGLCPWHDNES-WMQCIHAUSA-N 1 3 337.467 2.488 10 0 EEAEHO [NH3+][C@@H]1CCC[C@@H](NC2(CN3CCN(c4ccccc4)CC3)CC2)C1 ZINC000665272745 471987354 /nfs/dbraw/zinc/98/73/54/471987354.db2.gz JZFQAEGSWUHGMB-QZTJIDSGSA-N 1 3 328.504 2.201 10 0 EEAEHO CCCN(C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1COc2ccccc2O1 ZINC000662248680 472041844 /nfs/dbraw/zinc/04/18/44/472041844.db2.gz ANKDRXMIUKSNJM-HZPDHXFCSA-N 1 3 332.444 2.059 10 0 EEAEHO CC(C)C[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665640148 472119975 /nfs/dbraw/zinc/11/99/75/472119975.db2.gz OQMJKZYWWHIKNR-IRXDYDNUSA-N 1 3 326.529 2.479 10 0 EEAEHO CC(C)C[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665640148 472119979 /nfs/dbraw/zinc/11/99/79/472119979.db2.gz OQMJKZYWWHIKNR-IRXDYDNUSA-N 1 3 326.529 2.479 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)[C@@H]2CCCC[C@@H]21 ZINC000665760899 472175974 /nfs/dbraw/zinc/17/59/74/472175974.db2.gz RLBPUAJAXRPBPA-OWSLCNJRSA-N 1 3 338.540 2.479 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)[C@@H]2CCCC[C@@H]21 ZINC000665760899 472175978 /nfs/dbraw/zinc/17/59/78/472175978.db2.gz RLBPUAJAXRPBPA-OWSLCNJRSA-N 1 3 338.540 2.479 10 0 EEAEHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000662684209 472204779 /nfs/dbraw/zinc/20/47/79/472204779.db2.gz BZQYOAANZHBLBK-RTBURBONSA-N 1 3 337.423 2.173 10 0 EEAEHO CC(C)[NH+]1CCC(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000662684850 472205840 /nfs/dbraw/zinc/20/58/40/472205840.db2.gz KGQCJRFJNBIVDO-GOSISDBHSA-N 1 3 331.460 2.406 10 0 EEAEHO C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000679393931 485682295 /nfs/dbraw/zinc/68/22/95/485682295.db2.gz IXTBKPKKMUORFG-OFOKGCAXSA-N 1 3 343.515 2.491 10 0 EEAEHO C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000679393931 485682301 /nfs/dbraw/zinc/68/23/01/485682301.db2.gz IXTBKPKKMUORFG-OFOKGCAXSA-N 1 3 343.515 2.491 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)[C@@H]1c1ccccc1 ZINC000677528257 486450206 /nfs/dbraw/zinc/45/02/06/486450206.db2.gz PBAKRKMUVSIYEM-FHWLQOOXSA-N 1 3 342.487 2.215 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)[C@@H]1c1ccccc1 ZINC000677528257 486450212 /nfs/dbraw/zinc/45/02/12/486450212.db2.gz PBAKRKMUVSIYEM-FHWLQOOXSA-N 1 3 342.487 2.215 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)[C@@H]1c1ccccc1 ZINC000677528259 486450775 /nfs/dbraw/zinc/45/07/75/486450775.db2.gz PBAKRKMUVSIYEM-QYZOEREBSA-N 1 3 342.487 2.215 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)[C@@H]1c1ccccc1 ZINC000677528259 486450779 /nfs/dbraw/zinc/45/07/79/486450779.db2.gz PBAKRKMUVSIYEM-QYZOEREBSA-N 1 3 342.487 2.215 10 0 EEAEHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)C2)CC1 ZINC000682733320 486547594 /nfs/dbraw/zinc/54/75/94/486547594.db2.gz WJHKTERACFTRAY-RAUXBKROSA-N 1 3 335.536 2.340 10 0 EEAEHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCCN1CCOC ZINC000415951724 528355823 /nfs/dbraw/zinc/35/58/23/528355823.db2.gz IWIIFODEEWBGED-MRXNPFEDSA-N 1 3 334.464 2.028 10 0 EEAEHO CCc1cccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000120180356 535873434 /nfs/dbraw/zinc/87/34/34/535873434.db2.gz WCVRZTCRZOEWFD-UHFFFAOYSA-N 1 3 343.515 2.466 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCN1C ZINC000925324595 692205077 /nfs/dbraw/zinc/20/50/77/692205077.db2.gz VRECROVXZIXYOD-SQNIBIBYSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@@H](NC(=O)CN1CC[C@@H](C)C1)C1C[NH+](CCCc2ccsc2)C1 ZINC001485526342 1191826454 /nfs/dbraw/zinc/82/64/54/1191826454.db2.gz NDLMKIAGHRGOHL-HZPDHXFCSA-N 1 3 349.544 2.459 10 0 EEAEHO Cc1ncsc1C[NH2+]CCC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001485739735 1191916844 /nfs/dbraw/zinc/91/68/44/1191916844.db2.gz ZDZZNZPQSXRAOJ-ZIAGYGMSSA-N 1 3 338.521 2.168 10 0 EEAEHO Cc1ccc(CNCCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)cc1F ZINC001691321524 1177908562 /nfs/dbraw/zinc/90/85/62/1177908562.db2.gz ARSVIWRIXAYNBR-KRWDZBQOSA-N 1 3 333.451 2.024 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]CC/C=C/c2ccccc2)C1 ZINC001267059419 1178169671 /nfs/dbraw/zinc/16/96/71/1178169671.db2.gz WPYDHTOQCPDTGC-SBLNNXNXSA-N 1 3 338.455 2.494 10 0 EEAEHO CN(CC[NH2+]Cc1cccc(C(F)(F)F)c1)C(=O)CN1CCCC1 ZINC001267081334 1178203523 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326.444 2.144 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc(Cl)n1 ZINC000852844693 1292214696 /nfs/dbraw/zinc/21/46/96/1292214696.db2.gz JRNSGOYVRMCPIF-UONOGXRCSA-N 1 3 338.883 2.422 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc(Cl)n1 ZINC000852844693 1292214705 /nfs/dbraw/zinc/21/47/05/1292214705.db2.gz JRNSGOYVRMCPIF-UONOGXRCSA-N 1 3 338.883 2.422 10 0 EEAEHO CN(CCOCCN[C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000858253472 1294061362 /nfs/dbraw/zinc/06/13/62/1294061362.db2.gz CAESTECFSTXZGZ-HNNXBMFYSA-N 1 3 343.512 2.332 10 0 EEAEHO CN(CCOCCN[C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000858253472 1294061370 /nfs/dbraw/zinc/06/13/70/1294061370.db2.gz CAESTECFSTXZGZ-HNNXBMFYSA-N 1 3 343.512 2.332 10 0 EEAEHO CO[C@H](C[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1)C1CCC1 ZINC001490928018 1299584928 /nfs/dbraw/zinc/58/49/28/1299584928.db2.gz IGKPQNSPEINXMN-BRWVUGGUSA-N 1 3 339.524 2.016 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCc1ccsc1 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339.524 2.258 10 0 EEAEHO COCCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001265215400 1322988864 /nfs/dbraw/zinc/98/88/64/1322988864.db2.gz ZNQAPMBPERHAEV-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO CN(CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)Cc1cccnc1 ZINC001265872134 1323444353 /nfs/dbraw/zinc/44/43/53/1323444353.db2.gz PFYDOAIQHWDDKP-ZWKOTPCHSA-N 1 3 330.476 2.037 10 0 EEAEHO CN(CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)Cc1cccnc1 ZINC001265872134 1323444355 /nfs/dbraw/zinc/44/43/55/1323444355.db2.gz PFYDOAIQHWDDKP-ZWKOTPCHSA-N 1 3 330.476 2.037 10 0 EEAEHO C[C@H](CCC[NH2+][C@H](C)c1cnccn1)NC(=O)CN1CCC(C)CC1 ZINC001283260433 1325976665 /nfs/dbraw/zinc/97/66/65/1325976665.db2.gz NCGFZFJPRQHXCC-IAGOWNOFSA-N 1 3 347.507 2.144 10 0 EEAEHO Cc1cccc(C)c1OCC[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001283681854 1326199362 /nfs/dbraw/zinc/19/93/62/1326199362.db2.gz WQTUXLBACGQCIF-INIZCTEOSA-N 1 3 344.459 2.085 10 0 EEAEHO Cc1ccccc1OCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001283941743 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CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@@H+](CCOCC)C1 ZINC001323641878 1333506744 /nfs/dbraw/zinc/50/67/44/1333506744.db2.gz LGBBOYHXWACGQB-ZWKOTPCHSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1ncoc1CNCC[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001326437796 1334094121 /nfs/dbraw/zinc/09/41/21/1334094121.db2.gz OWLMZTXAYPJZJE-KRWDZBQOSA-N 1 3 348.491 2.187 10 0 EEAEHO C[C@@H](F)CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001326542093 1334112987 /nfs/dbraw/zinc/11/29/87/1334112987.db2.gz QVEOBGUHZWHQBK-QBPKDAKJSA-N 1 3 327.488 2.341 10 0 EEAEHO C[C@@H](CCC[NH2+]CC1CC(F)(F)C1)NC(=O)CN1CC[C@H](C)C1 ZINC001330919258 1334927371 /nfs/dbraw/zinc/92/73/71/1334927371.db2.gz UNVXBQGEAQLHGR-KBPBESRZSA-N 1 3 331.451 2.248 10 0 EEAEHO C[C@@H]1C[C@H]([NH2+]CCOC2CCCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC001332026319 1335708513 /nfs/dbraw/zinc/70/85/13/1335708513.db2.gz JUOUZNBEPVTHNY-WBVHZDCISA-N 1 3 348.491 2.271 10 0 EEAEHO C[C@H](CNC(=O)CC[NH+](C)C)NCc1csc(Br)c1 ZINC001480530377 1338306655 /nfs/dbraw/zinc/30/66/55/1338306655.db2.gz FSQDAHCRZGBFNO-SNVBAGLBSA-N 1 3 348.310 2.057 10 0 EEAEHO C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001668214848 1355900779 /nfs/dbraw/zinc/90/07/79/1355900779.db2.gz QLMRPBLVITYKIM-UONOGXRCSA-N 1 3 339.430 2.291 10 0 EEAEHO CC(C)(C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C1)N1CCCC1 ZINC001436358477 1342050126 /nfs/dbraw/zinc/05/01/26/1342050126.db2.gz PSLVBNLRORETQC-OTVXOJSOSA-N 1 3 343.462 2.391 10 0 EEAEHO COCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001500265191 1342121987 /nfs/dbraw/zinc/12/19/87/1342121987.db2.gz PTQWPIOYDVXOGK-IEBWSBKVSA-N 1 3 339.524 2.258 10 0 EEAEHO COCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001500265191 1342121990 /nfs/dbraw/zinc/12/19/90/1342121990.db2.gz PTQWPIOYDVXOGK-IEBWSBKVSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@H]1[C@H]([NH2+]CCCCCF)CCN1C(=O)CN1CCC(C)CC1 ZINC001571464590 1343213827 /nfs/dbraw/zinc/21/38/27/1343213827.db2.gz OHMFFVIWTHTPKN-DLBZAZTESA-N 1 3 327.488 2.437 10 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1354615021 /nfs/dbraw/zinc/61/50/21/1354615021.db2.gz LWNNWYHGLRDLEO-ROUUACIJSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001661235642 1354615024 /nfs/dbraw/zinc/61/50/24/1354615024.db2.gz LWNNWYHGLRDLEO-ROUUACIJSA-N 1 3 339.524 2.068 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccnc(Cl)c1 ZINC001663968408 1355064161 /nfs/dbraw/zinc/06/41/61/1355064161.db2.gz QZKMYUGPYWDRFV-HNNXBMFYSA-N 1 3 338.883 2.157 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccnc(Cl)c1 ZINC001663968408 1355064168 /nfs/dbraw/zinc/06/41/68/1355064168.db2.gz QZKMYUGPYWDRFV-HNNXBMFYSA-N 1 3 338.883 2.157 10 0 EEAEHO Cc1ncc(CNCC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)o1 ZINC001668116927 1355875272 /nfs/dbraw/zinc/87/52/72/1355875272.db2.gz BNVZZDSOHIYKHX-WMLDXEAASA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1ncc(CNCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)o1 ZINC001668116927 1355875274 /nfs/dbraw/zinc/87/52/74/1355875274.db2.gz BNVZZDSOHIYKHX-WMLDXEAASA-N 1 3 336.480 2.088 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)cc(F)c1 ZINC001668319781 1355922792 /nfs/dbraw/zinc/92/27/92/1355922792.db2.gz KPJNQCVZFODECQ-ZDUSSCGKSA-N 1 3 327.419 2.289 10 0 EEAEHO CC[C@@H](C(=O)NC/C=C\C[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C ZINC001669045928 1356075970 /nfs/dbraw/zinc/07/59/70/1356075970.db2.gz NRKYXKIZXPMTCI-JGUVHBTRSA-N 1 3 331.451 2.414 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@H]1CCCN(Cc2cccnc2)CC1 ZINC001673401649 1356685627 /nfs/dbraw/zinc/68/56/27/1356685627.db2.gz FYMKVMGPTCPSIY-SFHVURJKSA-N 1 3 332.492 2.284 10 0 EEAEHO CCCCCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000846698032 790435111 /nfs/dbraw/zinc/43/51/11/790435111.db2.gz AOIMVIFRMBYZPN-KURKYZTESA-N 1 3 339.524 2.386 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]CCO[C@@H]2CCOC2)CC1 ZINC000922938555 788362776 /nfs/dbraw/zinc/36/27/76/788362776.db2.gz SRZLWFYJRACKMG-LJQANCHMSA-N 1 3 347.503 2.114 10 0 EEAEHO CN(C(=O)[C@@H]1C[NH2+]CC1(C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000711278041 788585467 /nfs/dbraw/zinc/58/54/67/788585467.db2.gz DEAMZGSLGNXNIU-ROUUACIJSA-N 1 3 329.488 2.355 10 0 EEAEHO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501591 789685989 /nfs/dbraw/zinc/68/59/89/789685989.db2.gz VUKJVMMRHXNFDT-UMVBOHGHSA-N 1 3 339.430 2.401 10 0 EEAEHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)ccc1OC ZINC000846187997 790083188 /nfs/dbraw/zinc/08/31/88/790083188.db2.gz DQUGNUNVIXOOPA-JLJPHGGASA-N 1 3 333.476 2.452 10 0 EEAEHO C[Si](C)(CN1CCC([NH2+]C2CCOCC2)CC1)c1ccccc1 ZINC001176104956 798352071 /nfs/dbraw/zinc/35/20/71/798352071.db2.gz BIZKWIPYPJSJPW-UHFFFAOYSA-N 1 3 332.564 2.374 10 0 EEAEHO Brc1cnn(C2(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000922801120 801946433 /nfs/dbraw/zinc/94/64/33/801946433.db2.gz CRZOCOOLXJARLV-KBPBESRZSA-N 1 3 339.281 2.351 10 0 EEAEHO Brc1cnn(C2(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000922801120 801946438 /nfs/dbraw/zinc/94/64/38/801946438.db2.gz CRZOCOOLXJARLV-KBPBESRZSA-N 1 3 339.281 2.351 10 0 EEAEHO CCCCCCN(C)CC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922867842 802098885 /nfs/dbraw/zinc/09/88/85/802098885.db2.gz VRQHGSVPYBTQOU-UHFFFAOYSA-N 1 3 339.524 2.258 10 0 EEAEHO Cc1ccncc1CN(C)CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001566453296 1125613976 /nfs/dbraw/zinc/61/39/76/1125613976.db2.gz JCOXOJCJSXHFHW-SFHVURJKSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1ccncc1CN(C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001566453296 1125613979 /nfs/dbraw/zinc/61/39/79/1125613979.db2.gz JCOXOJCJSXHFHW-SFHVURJKSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1ccncc1CN(C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001566465409 1125625462 /nfs/dbraw/zinc/62/54/62/1125625462.db2.gz QRLCUBKRQKNQMB-UHFFFAOYSA-N 1 3 344.503 2.204 10 0 EEAEHO Cc1nn(C(C)C)cc1CN(C)CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001566491367 1125656366 /nfs/dbraw/zinc/65/63/66/1125656366.db2.gz VKVQSUSBBSGWOP-INIZCTEOSA-N 1 3 349.523 2.052 10 0 EEAEHO Cc1nn(C(C)C)cc1CN(C)CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001566491367 1125656383 /nfs/dbraw/zinc/65/63/83/1125656383.db2.gz VKVQSUSBBSGWOP-INIZCTEOSA-N 1 3 349.523 2.052 10 0 EEAEHO COCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001566533072 1125702907 /nfs/dbraw/zinc/70/29/07/1125702907.db2.gz KMESKEMYNFDNNS-IRXDYDNUSA-N 1 3 341.540 2.360 10 0 EEAEHO Cc1cnc([C@@H](C)N[C@@H]2CC[C@H](CNC(=O)CCC[NH+](C)C)C2)cn1 ZINC001436415127 1087770147 /nfs/dbraw/zinc/77/01/47/1087770147.db2.gz IYRBQAGMBCYXDT-IXDOHACOSA-N 1 3 347.507 2.062 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001436922490 1088581351 /nfs/dbraw/zinc/58/13/51/1088581351.db2.gz AEZRNXWXQBXXLN-KKUMJFAQSA-N 1 3 331.451 2.391 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001436933830 1088605551 /nfs/dbraw/zinc/60/55/51/1088605551.db2.gz FJSINDLWVDECJL-KKUMJFAQSA-N 1 3 331.451 2.389 10 0 EEAEHO Cc1ncc(CNC[C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)o1 ZINC001437041010 1088902874 /nfs/dbraw/zinc/90/28/74/1088902874.db2.gz ZJIPFHBUSPARQX-QGZVFWFLSA-N 1 3 348.491 2.187 10 0 EEAEHO COc1cc(CN(C)CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)ccc1C ZINC001437567612 1090049090 /nfs/dbraw/zinc/04/90/90/1090049090.db2.gz XPVSPSJEEDDYGA-CALCHBBNSA-N 1 3 347.503 2.424 10 0 EEAEHO COc1cc(CN(C)CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)ccc1C ZINC001437567612 1090049101 /nfs/dbraw/zinc/04/91/01/1090049101.db2.gz XPVSPSJEEDDYGA-CALCHBBNSA-N 1 3 347.503 2.424 10 0 EEAEHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1cccc(N(C)C)c1 ZINC001437627573 1090143287 /nfs/dbraw/zinc/14/32/87/1090143287.db2.gz ZIIDCMZUQCEHHE-KRWDZBQOSA-N 1 3 346.519 2.033 10 0 EEAEHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1cccc(N(C)C)c1 ZINC001437627573 1090143291 /nfs/dbraw/zinc/14/32/91/1090143291.db2.gz ZIIDCMZUQCEHHE-KRWDZBQOSA-N 1 3 346.519 2.033 10 0 EEAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]Cc2cccnc2)CCCC1 ZINC001438399419 1090887241 /nfs/dbraw/zinc/88/72/41/1090887241.db2.gz XHNXVQBUPXMFOB-CALCHBBNSA-N 1 3 344.503 2.473 10 0 EEAEHO CCCN(C)CC(=O)NC1(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)CCCC1 ZINC001438408136 1090895635 /nfs/dbraw/zinc/89/56/35/1090895635.db2.gz YXGXOJYYDBWLLU-DLBZAZTESA-N 1 3 339.524 2.162 10 0 EEAEHO C[C@@H](CN(C)Cc1ccc(F)cc1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445746152 1091577155 /nfs/dbraw/zinc/57/71/55/1091577155.db2.gz IXSBULSBEMBDNW-KBXCAEBGSA-N 1 3 333.451 2.104 10 0 EEAEHO CC(C)n1ccc(CNC[C@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)n1 ZINC001445899123 1091826359 /nfs/dbraw/zinc/82/63/59/1091826359.db2.gz NVDYWDYMEGDLCE-AEFFLSMTSA-N 1 3 349.523 2.180 10 0 EEAEHO Cc1nsc(C)c1CNC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001439214126 1091857584 /nfs/dbraw/zinc/85/75/84/1091857584.db2.gz KWMZYXSSWSJNII-BLLLJJGKSA-N 1 3 338.521 2.227 10 0 EEAEHO Cc1nsc(C)c1CNC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001439214126 1091857594 /nfs/dbraw/zinc/85/75/94/1091857594.db2.gz KWMZYXSSWSJNII-BLLLJJGKSA-N 1 3 338.521 2.227 10 0 EEAEHO COc1cccc(C[NH2+]C2(CNC(=O)CN(C)C(C)C)CC2)c1C ZINC001446301814 1092471130 /nfs/dbraw/zinc/47/11/30/1092471130.db2.gz VXGXMHWQKREFJK-UHFFFAOYSA-N 1 3 333.476 2.082 10 0 EEAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCc2ccccc2F)CC1 ZINC001439676449 1092617992 /nfs/dbraw/zinc/61/79/92/1092617992.db2.gz MEJCLCOUAUEPBP-HOTGVXAUSA-N 1 3 347.478 2.479 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@]1(CO)CCCN([C@@H](C)c2ccccc2)C1 ZINC001440176478 1093233805 /nfs/dbraw/zinc/23/38/05/1093233805.db2.gz ANJQIZUBUQIQCS-FXAWDEMLSA-N 1 3 347.503 2.033 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@]1(CO)CCCN([C@@H](C)c2ccccc2)C1 ZINC001440176478 1093233810 /nfs/dbraw/zinc/23/38/10/1093233810.db2.gz ANJQIZUBUQIQCS-FXAWDEMLSA-N 1 3 347.503 2.033 10 0 EEAEHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+]Cc2cncs2)C1 ZINC001440465444 1093688072 /nfs/dbraw/zinc/68/80/72/1093688072.db2.gz NJJQZRYTNGLSBW-OAHLLOKOSA-N 1 3 338.521 2.346 10 0 EEAEHO C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]Cc1ccc(Cl)s1 ZINC001448660466 1093728213 /nfs/dbraw/zinc/72/82/13/1093728213.db2.gz MUCIHDNEBCUUNO-AAEUAGOBSA-N 1 3 329.897 2.432 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2Cc3ccccc3CN2CC2CC2)C1 ZINC001440533689 1093796779 /nfs/dbraw/zinc/79/67/79/1093796779.db2.gz GIDRTYIKZLUJDX-PXNSSMCTSA-N 1 3 341.499 2.281 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2Cc3ccccc3CN2CC2CC2)C1 ZINC001440533689 1093796785 /nfs/dbraw/zinc/79/67/85/1093796785.db2.gz GIDRTYIKZLUJDX-PXNSSMCTSA-N 1 3 341.499 2.281 10 0 EEAEHO CC[C@H](C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCCN2CC)CC1)OC ZINC001440612109 1093878983 /nfs/dbraw/zinc/87/89/83/1093878983.db2.gz AFRCUARZGRMTIM-SJORKVTESA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1ncc(C[NH2+]CC2CC(NC(=O)[C@H](C(C)C)N(C)C)C2)s1 ZINC001440752634 1093997499 /nfs/dbraw/zinc/99/74/99/1093997499.db2.gz QMEWJLCKNSTEEE-XUJLQICISA-N 1 3 338.521 2.022 10 0 EEAEHO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001440805373 1094051678 /nfs/dbraw/zinc/05/16/78/1094051678.db2.gz ZYDFDTJOYZKKCC-OLZOCXBDSA-N 1 3 339.430 2.432 10 0 EEAEHO Cc1ncc(CNC2CC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)C2)o1 ZINC001449394180 1094371397 /nfs/dbraw/zinc/37/13/97/1094371397.db2.gz NCRXTRSKIFRKHC-UHFFFAOYSA-N 1 3 336.480 2.040 10 0 EEAEHO Cc1ncc(CNC2CC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C2)o1 ZINC001449394180 1094371403 /nfs/dbraw/zinc/37/14/03/1094371403.db2.gz NCRXTRSKIFRKHC-UHFFFAOYSA-N 1 3 336.480 2.040 10 0 EEAEHO Cc1ncccc1C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCN1C)C(C)C ZINC001441090641 1094388612 /nfs/dbraw/zinc/38/86/12/1094388612.db2.gz QBYGGHDTDBHBTD-OALUTQOASA-N 1 3 346.519 2.447 10 0 EEAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](NCc1cncs1)C1CC1 ZINC001441194924 1094554527 /nfs/dbraw/zinc/55/45/27/1094554527.db2.gz BBTBXBFQIUTJOI-HOCLYGCPSA-N 1 3 336.505 2.002 10 0 EEAEHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](NCc1cncs1)C1CC1 ZINC001441194924 1094554533 /nfs/dbraw/zinc/55/45/33/1094554533.db2.gz BBTBXBFQIUTJOI-HOCLYGCPSA-N 1 3 336.505 2.002 10 0 EEAEHO CC(C)[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1nccs1 ZINC001441404825 1094978861 /nfs/dbraw/zinc/97/88/61/1094978861.db2.gz PSAZOHMSVNOUHI-CQSZACIVSA-N 1 3 338.521 2.248 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)[C@H](C[NH2+]Cc2cccc(F)c2)C2CC2)C1 ZINC001441447852 1095081768 /nfs/dbraw/zinc/08/17/68/1095081768.db2.gz KRPIYOSMBPOKIW-DNVCBOLYSA-N 1 3 347.478 2.494 10 0 EEAEHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCc1ccccc1Cl ZINC001441646611 1095593198 /nfs/dbraw/zinc/59/31/98/1095593198.db2.gz IXKSUIRZIAVYEK-CQSZACIVSA-N 1 3 335.879 2.372 10 0 EEAEHO Cc1cc(CN[C@@H](C)CNC(=O)c2cccc(C[NH+](C)C)c2)sn1 ZINC001442113787 1096344638 /nfs/dbraw/zinc/34/46/38/1096344638.db2.gz LXPWKRHEYQCRJZ-AWEZNQCLSA-N 1 3 346.500 2.421 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC1CC(F)(F)C1)C(C)(C)C ZINC001442184070 1096453701 /nfs/dbraw/zinc/45/37/01/1096453701.db2.gz WUAFWSKHEJLXKI-CQSZACIVSA-N 1 3 333.467 2.492 10 0 EEAEHO Cc1nocc1CN[C@H](C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001442320587 1096639354 /nfs/dbraw/zinc/63/93/54/1096639354.db2.gz GLOITVUOAWWXAS-CQSZACIVSA-N 1 3 348.491 2.089 10 0 EEAEHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]Cc1ccncc1Cl ZINC001442344027 1096666885 /nfs/dbraw/zinc/66/68/85/1096666885.db2.gz ZHCLNMQUQLIXCV-CYBMUJFWSA-N 1 3 326.872 2.060 10 0 EEAEHO COc1cccc([C@H](C)[NH2+]CCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001443080912 1097494110 /nfs/dbraw/zinc/49/41/10/1097494110.db2.gz QSVXBFDOKDNCOH-CVEARBPZSA-N 1 3 333.476 2.146 10 0 EEAEHO CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001443241315 1097708890 /nfs/dbraw/zinc/70/88/90/1097708890.db2.gz IIJUNZPFKZZBAH-CRAIPNDOSA-N 1 3 327.488 2.437 10 0 EEAEHO CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001443241315 1097708893 /nfs/dbraw/zinc/70/88/93/1097708893.db2.gz IIJUNZPFKZZBAH-CRAIPNDOSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@@H](NC[C@H](C)CNC(=O)CC[NH+](C)C)c1c(F)cccc1F ZINC001444394698 1098990314 /nfs/dbraw/zinc/99/03/14/1098990314.db2.gz ZMUFULBTEMDINN-QWHCGFSZSA-N 1 3 327.419 2.319 10 0 EEAEHO CC[N@H+](CCCNC(=O)[C@H]1CCCCN1C(C)C)C[C@@H]1CCOC1 ZINC001479855649 1099156698 /nfs/dbraw/zinc/15/66/98/1099156698.db2.gz CCVITVVSRRXSPX-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[N@@H+](CCCNC(=O)[C@H]1CCCCN1C(C)C)C[C@@H]1CCOC1 ZINC001479855649 1099156701 /nfs/dbraw/zinc/15/67/01/1099156701.db2.gz CCVITVVSRRXSPX-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO CO[C@@H](C[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCCC1)C1CCC1 ZINC001444530374 1099297481 /nfs/dbraw/zinc/29/74/81/1099297481.db2.gz CFSCFRREIVJZQQ-KRWDZBQOSA-N 1 3 348.491 2.094 10 0 EEAEHO CC(C)C[C@H](CNCc1ccccc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001444768403 1099666754 /nfs/dbraw/zinc/66/67/54/1099666754.db2.gz AMSNJQBGRGFHQP-DLBZAZTESA-N 1 3 335.467 2.398 10 0 EEAEHO CC(C)C[C@H](CNCc1ccccc1F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444768403 1099666760 /nfs/dbraw/zinc/66/67/60/1099666760.db2.gz AMSNJQBGRGFHQP-DLBZAZTESA-N 1 3 335.467 2.398 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2ocnc2C)C1 ZINC001480386032 1100185397 /nfs/dbraw/zinc/18/53/97/1100185397.db2.gz JHAOQQGZFFLMDM-GOEBONIOSA-N 1 3 336.480 2.042 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2ocnc2C)C1 ZINC001480386032 1100185404 /nfs/dbraw/zinc/18/54/04/1100185404.db2.gz JHAOQQGZFFLMDM-GOEBONIOSA-N 1 3 336.480 2.042 10 0 EEAEHO CN(CC[N@H+](C)C[C@@H]1CCc2ccccc2C1)C(=O)Cc1c[nH]cn1 ZINC001445043559 1100223492 /nfs/dbraw/zinc/22/34/92/1100223492.db2.gz DAMPTMZVVLTQSL-MRXNPFEDSA-N 1 3 340.471 2.148 10 0 EEAEHO CN(CC[N@@H+](C)C[C@@H]1CCc2ccccc2C1)C(=O)Cc1c[nH]cn1 ZINC001445043559 1100223495 /nfs/dbraw/zinc/22/34/95/1100223495.db2.gz DAMPTMZVVLTQSL-MRXNPFEDSA-N 1 3 340.471 2.148 10 0 EEAEHO Cc1ccc(F)c(CNC[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001445366603 1100602857 /nfs/dbraw/zinc/60/28/57/1100602857.db2.gz MZZKVJQSRJOLFX-RHSMWYFYSA-N 1 3 333.451 2.070 10 0 EEAEHO CCCN(C)CC(=O)NC1(C)CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001446474457 1100899767 /nfs/dbraw/zinc/89/97/67/1100899767.db2.gz AOSYHXLAPJZCLG-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ncccc1C)C1CCCC1)N(C)C ZINC001446494106 1100937206 /nfs/dbraw/zinc/93/72/06/1100937206.db2.gz CERFACBFGSBOSA-RTBURBONSA-N 1 3 346.519 2.495 10 0 EEAEHO CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1ccc(C)nc1C)C1CC1)N(C)C ZINC001495280630 1100978669 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EEAEHO CCC1(NCc2cc(C)on2)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001447431984 1102643559 /nfs/dbraw/zinc/64/35/59/1102643559.db2.gz XKEJELLLNIJXST-OAHLLOKOSA-N 1 3 348.491 2.186 10 0 EEAEHO CCC1(NCc2cc(C)on2)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001447431984 1102643564 /nfs/dbraw/zinc/64/35/64/1102643564.db2.gz XKEJELLLNIJXST-OAHLLOKOSA-N 1 3 348.491 2.186 10 0 EEAEHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)Cc1ccc2ncccc2c1 ZINC001448143129 1104098307 /nfs/dbraw/zinc/09/83/07/1104098307.db2.gz CQQLQUXWPVJTNA-YJBOKZPZSA-N 1 3 340.471 2.123 10 0 EEAEHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)Cc1ccc2ncccc2c1 ZINC001448143129 1104098317 /nfs/dbraw/zinc/09/83/17/1104098317.db2.gz CQQLQUXWPVJTNA-YJBOKZPZSA-N 1 3 340.471 2.123 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1C[NH+](C[C@H]2CCc3ccccc3C2)C1 ZINC001494632267 1104216231 /nfs/dbraw/zinc/21/62/31/1104216231.db2.gz GURGZBGPHNVGER-KRWDZBQOSA-N 1 3 343.515 2.180 10 0 EEAEHO CC(C)[C@@H](C(=O)NCC1CN(CCc2cccs2)C1)[NH+]1CCCC1 ZINC001494633141 1104217223 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C[C@H](C[N@H+](C)C[C@H]1CCC(F)(F)C1)NC(=O)C1(N(C)C)CCC1 ZINC001498314396 1107274381 /nfs/dbraw/zinc/27/43/81/1107274381.db2.gz RXXNFPSXBBHUIO-KGLIPLIRSA-N 1 3 331.451 2.343 10 0 EEAEHO C[C@H](C[N@@H+](C)C[C@H]1CCC(F)(F)C1)NC(=O)C1(N(C)C)CCC1 ZINC001498314396 1107274391 /nfs/dbraw/zinc/27/43/91/1107274391.db2.gz RXXNFPSXBBHUIO-KGLIPLIRSA-N 1 3 331.451 2.343 10 0 EEAEHO C[C@H](C[N@H+](C)CCc1ccccc1F)NC(=O)CN1CC[C@@H](C)C1 ZINC001498381010 1107424681 /nfs/dbraw/zinc/42/46/81/1107424681.db2.gz LZDSZIMBPLPYLY-HZPDHXFCSA-N 1 3 335.467 2.147 10 0 EEAEHO C[C@H](C[N@@H+](C)CCc1ccccc1F)NC(=O)CN1CC[C@@H](C)C1 ZINC001498381010 1107424683 /nfs/dbraw/zinc/42/46/83/1107424683.db2.gz LZDSZIMBPLPYLY-HZPDHXFCSA-N 1 3 335.467 2.147 10 0 EEAEHO CC(C)(C(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCCF)N1CCCC1 ZINC001498493923 1107631470 /nfs/dbraw/zinc/63/14/70/1107631470.db2.gz YTMRTAOVYZTAGQ-HZPDHXFCSA-N 1 3 327.488 2.485 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001498762573 1108051629 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341.499 2.454 10 0 EEAEHO C[C@@H](F)CC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001505410435 1113944863 /nfs/dbraw/zinc/94/48/63/1113944863.db2.gz PADSMZHGXMYOBQ-SJORKVTESA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)OCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001505606618 1114082025 /nfs/dbraw/zinc/08/20/25/1114082025.db2.gz UXWBJQPOGPLGQM-CVEARBPZSA-N 1 3 327.513 2.159 10 0 EEAEHO CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CCO1 ZINC001506841915 1114906624 /nfs/dbraw/zinc/90/66/24/1114906624.db2.gz QKRLCMIORIUHRS-IRXDYDNUSA-N 1 3 339.524 2.257 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3conc3C)C[C@H]2C1 ZINC001506852985 1114915768 /nfs/dbraw/zinc/91/57/68/1114915768.db2.gz AADDVAXSUSDGGQ-LZLYRXPVSA-N 1 3 348.491 2.042 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3conc3C)C[C@H]2C1 ZINC001506852985 1114915770 /nfs/dbraw/zinc/91/57/70/1114915770.db2.gz AADDVAXSUSDGGQ-LZLYRXPVSA-N 1 3 348.491 2.042 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001507014160 1115054586 /nfs/dbraw/zinc/05/45/86/1115054586.db2.gz WJDMCMUXSQZSPF-FYUFSVPTSA-N 1 3 327.900 2.438 10 0 EEAEHO Cc1cc(CN[C@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)sn1 ZINC001507108598 1115112721 /nfs/dbraw/zinc/11/27/21/1115112721.db2.gz XCYQTCOCENLUEZ-CQSZACIVSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1cc(CN[C@H](C)CN(C)C(=O)CC2CC[NH+](C)CC2)sn1 ZINC001507131918 1115125283 /nfs/dbraw/zinc/12/52/83/1115125283.db2.gz XODAURIZFQPSLW-CQSZACIVSA-N 1 3 338.521 2.120 10 0 EEAEHO COc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C)c1C ZINC001507161093 1115141235 /nfs/dbraw/zinc/14/12/35/1115141235.db2.gz IOICVVVEPKZLKT-HNNXBMFYSA-N 1 3 335.492 2.280 10 0 EEAEHO CCc1ccc(CC[NH2+]C/C=C\CNC(=O)[C@@H]2CCCN2C)cc1 ZINC001568826634 1124843324 /nfs/dbraw/zinc/84/33/24/1124843324.db2.gz FNFURSVUYCNGAQ-HMECNJMJSA-N 1 3 329.488 2.148 10 0 EEAEHO Cc1cnc([C@@H](C)NCCCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC001569202078 1125161318 /nfs/dbraw/zinc/16/13/18/1125161318.db2.gz UIYBZGXOMMAGCC-AEFFLSMTSA-N 1 3 347.507 2.157 10 0 EEAEHO Cc1cnc([C@@H](C)NCCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC001569202078 1125161321 /nfs/dbraw/zinc/16/13/21/1125161321.db2.gz UIYBZGXOMMAGCC-AEFFLSMTSA-N 1 3 347.507 2.157 10 0 EEAEHO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000052593363 214135960 /nfs/dbraw/zinc/13/59/60/214135960.db2.gz NJTCSQIOPVCLCY-IBGZPJMESA-N 1 3 344.503 2.388 10 0 EEAEHO CC[N@H+]1CCC[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000052593363 214135964 /nfs/dbraw/zinc/13/59/64/214135964.db2.gz NJTCSQIOPVCLCY-IBGZPJMESA-N 1 3 344.503 2.388 10 0 EEAEHO CN1CCC2(CC1)C[C@@H](NC(=O)C1CC[NH2+]CC1)c1ccccc1O2 ZINC000237070366 282723927 /nfs/dbraw/zinc/72/39/27/282723927.db2.gz SFGXTEUXWPSJAL-QGZVFWFLSA-N 1 3 343.471 2.090 10 0 EEAEHO CCn1c(CNCC2CC[NH+](C[C@@H](C)O)CC2)nc2ccccc21 ZINC000069349858 215384063 /nfs/dbraw/zinc/38/40/63/215384063.db2.gz IOTNPHZHABHTSC-OAHLLOKOSA-N 1 3 330.476 2.239 10 0 EEAEHO CC[N@@H+]1CC[C@@H](CN[C@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC000446751578 242218972 /nfs/dbraw/zinc/21/89/72/242218972.db2.gz LJPHJYNUOCEGBE-QFBILLFUSA-N 1 3 343.475 2.350 10 0 EEAEHO CC[N@H+]1CC[C@@H](CN[C@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC000446751578 242218975 /nfs/dbraw/zinc/21/89/75/242218975.db2.gz LJPHJYNUOCEGBE-QFBILLFUSA-N 1 3 343.475 2.350 10 0 EEAEHO CCN1CC[C@@H](C[NH2+][C@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC000446751578 242218978 /nfs/dbraw/zinc/21/89/78/242218978.db2.gz LJPHJYNUOCEGBE-QFBILLFUSA-N 1 3 343.475 2.350 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000266638333 248393189 /nfs/dbraw/zinc/39/31/89/248393189.db2.gz BGZWHMGVWRDBCX-BHIYHBOVSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000266638333 248393191 /nfs/dbraw/zinc/39/31/91/248393191.db2.gz BGZWHMGVWRDBCX-BHIYHBOVSA-N 1 3 344.503 2.385 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCCC[NH+]1CCCCC1 ZINC000079734647 292197417 /nfs/dbraw/zinc/19/74/17/292197417.db2.gz IFCZTIORJGGULG-LJQANCHMSA-N 1 3 346.519 2.335 10 0 EEAEHO Cc1cc(F)cc2[nH]c(C(=O)N(CCN(C)C)CC[NH+](C)C)cc21 ZINC000116752631 292236251 /nfs/dbraw/zinc/23/62/51/292236251.db2.gz IMMOXRJYYWKKHB-UHFFFAOYSA-N 1 3 334.439 2.181 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000124348646 292288733 /nfs/dbraw/zinc/28/87/33/292288733.db2.gz LAOVBSMVNHKTJV-UXHICEINSA-N 1 3 341.499 2.465 10 0 EEAEHO OC[C@H](NC/C=C/C[NH2+][C@@H](CO)c1ccsc1)c1ccsc1 ZINC000352019457 162032031 /nfs/dbraw/zinc/03/20/31/162032031.db2.gz FEOVTJHWKSGPOY-POHSLCEDSA-N 1 3 338.498 2.312 10 0 EEAEHO CCSCC[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000355770921 163296814 /nfs/dbraw/zinc/29/68/14/163296814.db2.gz DHLUEEOKMPUTEA-UHFFFAOYSA-N 1 3 335.517 2.355 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@]2(OC)CCOC2)CC1 ZINC000359656411 164146235 /nfs/dbraw/zinc/14/62/35/164146235.db2.gz XIRKOIBEZRUFTP-HXUWFJFHSA-N 1 3 347.503 2.114 10 0 EEAEHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000360434457 164309582 /nfs/dbraw/zinc/30/95/82/164309582.db2.gz XVQNFXQASPTXPF-KGLIPLIRSA-N 1 3 325.478 2.051 10 0 EEAEHO CN1CCN(CC2(C)CC[NH+](C[C@H](O)CC3CCCC3)CC2)CC1 ZINC000364476078 165151888 /nfs/dbraw/zinc/15/18/88/165151888.db2.gz HPAVUVNBDIZOQE-LJQANCHMSA-N 1 3 337.552 2.277 10 0 EEAEHO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCN2CCC1CC2 ZINC000375500563 167148872 /nfs/dbraw/zinc/14/88/72/167148872.db2.gz YIUAQNSFHWUYKL-UHFFFAOYSA-N 1 3 327.472 2.205 10 0 EEAEHO CCN(CC)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190570761 274044988 /nfs/dbraw/zinc/04/49/88/274044988.db2.gz KPAYCVJGXOWMMU-HNNXBMFYSA-N 1 3 338.521 2.074 10 0 EEAEHO CCN(CC)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190570761 274044989 /nfs/dbraw/zinc/04/49/89/274044989.db2.gz KPAYCVJGXOWMMU-HNNXBMFYSA-N 1 3 338.521 2.074 10 0 EEAEHO NC(=O)N1CCC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000289772857 275147398 /nfs/dbraw/zinc/14/73/98/275147398.db2.gz JXPNFXWGQMKIPI-GOSISDBHSA-N 1 3 344.503 2.421 10 0 EEAEHO C[C@@H](C(=O)N(CC[NH3+])CCc1ccccc1)[C@H](N)c1ccccc1 ZINC000261679089 277539774 /nfs/dbraw/zinc/53/97/74/277539774.db2.gz HIBHRAKSWLVYJM-APWZRJJASA-N 1 3 325.456 2.353 10 0 EEAEHO CN1CC[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)[C@H]2CCC[C@H]21 ZINC000353611735 290214581 /nfs/dbraw/zinc/21/45/81/290214581.db2.gz FCDURWPQDJIASI-IVDHNXQLSA-N 1 3 335.536 2.217 10 0 EEAEHO Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)c1 ZINC000414714851 313068326 /nfs/dbraw/zinc/06/83/26/313068326.db2.gz QKPWASVXKNFZCV-QZTJIDSGSA-N 1 3 329.488 2.290 10 0 EEAEHO Cc1cc(C)cc([C@@H]2CC[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)c1 ZINC000414714851 313068327 /nfs/dbraw/zinc/06/83/27/313068327.db2.gz QKPWASVXKNFZCV-QZTJIDSGSA-N 1 3 329.488 2.290 10 0 EEAEHO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CNCCC1(F)F)CC(C)C ZINC000416943699 313368513 /nfs/dbraw/zinc/36/85/13/313368513.db2.gz CPHYWWKKMDSRKX-KGLIPLIRSA-N 1 3 334.455 2.039 10 0 EEAEHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417528772 313533693 /nfs/dbraw/zinc/53/36/93/313533693.db2.gz FPBQEHMDNHFWNB-QZTJIDSGSA-N 1 3 346.519 2.462 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000515220928 316472198 /nfs/dbraw/zinc/47/21/98/316472198.db2.gz IQFNHYKUMUXXKI-VQIMIIECSA-N 1 3 344.503 2.470 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000564310245 319077275 /nfs/dbraw/zinc/07/72/75/319077275.db2.gz VTHZGBBNCUOJNN-NVXWUHKLSA-N 1 3 332.492 2.194 10 0 EEAEHO C[C@H](NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCC[NH2+]C1 ZINC000564823204 319114379 /nfs/dbraw/zinc/11/43/79/319114379.db2.gz DIEMHOFXELWEGT-YSIASYRMSA-N 1 3 331.504 2.255 10 0 EEAEHO CN(C)Cc1ccc(C(=O)N(CC[NH3+])CCc2ccccc2)cc1 ZINC000582903633 324554224 /nfs/dbraw/zinc/55/42/24/324554224.db2.gz BTAMMZAXYXLSMR-UHFFFAOYSA-N 1 3 325.456 2.392 10 0 EEAEHO CN(C)C[C@@H](NC(=O)NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000193203067 465028005 /nfs/dbraw/zinc/02/80/05/465028005.db2.gz UCSCVXBGCCYPRH-GOSISDBHSA-N 1 3 332.492 2.465 10 0 EEAEHO O=C(NCCNc1ccncc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000535265693 468305479 /nfs/dbraw/zinc/30/54/79/468305479.db2.gz UCSSOKOTZHDRLX-UHFFFAOYSA-N 1 3 345.491 2.012 10 0 EEAEHO N=C(NO)c1ccc(-c2ncc(-c3ccc(C(=[NH2+])NO)cc3)cn2)cc1 ZINC000113741289 462611024 /nfs/dbraw/zinc/61/10/24/462611024.db2.gz AAIZAISBBQZXMB-UHFFFAOYSA-N 1 3 348.366 2.419 10 0 EEAEHO C[C@H](CNC(=O)c1ccccc1OCCN(C)C)C[NH+]1CCCCC1 ZINC000063781721 462672232 /nfs/dbraw/zinc/67/22/32/462672232.db2.gz NYIOVUQMERBIHB-QGZVFWFLSA-N 1 3 347.503 2.479 10 0 EEAEHO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc(OCCN(C)C)c1 ZINC000090515626 462795352 /nfs/dbraw/zinc/79/53/52/462795352.db2.gz IFGCTOIBUZCGDL-AYSMAOOMSA-N 1 3 326.506 2.435 10 0 EEAEHO C[C@@H]1CN(CCC2CC[NH+](CC[C@@H]3CCOC3=O)CC2)C[C@H](C)O1 ZINC000120841521 463045660 /nfs/dbraw/zinc/04/56/60/463045660.db2.gz JYAGHJZFONZOIT-SOLBZPMBSA-N 1 3 338.492 2.151 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)NCCN2CCCCC2)CC1 ZINC000072955934 463566385 /nfs/dbraw/zinc/56/63/85/463566385.db2.gz FXNDJLYFKXACSS-UHFFFAOYSA-N 1 3 330.476 2.209 10 0 EEAEHO OCC[NH+]1CCC(CNCc2ccc(F)cc2Br)CC1 ZINC000084343991 463596025 /nfs/dbraw/zinc/59/60/25/463596025.db2.gz NEMLKLXUXXWXCP-UHFFFAOYSA-N 1 3 345.256 2.382 10 0 EEAEHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CC(C)C)CN(C)C)C1 ZINC000073722682 463648746 /nfs/dbraw/zinc/64/87/46/463648746.db2.gz AGWCJIUJNPDWRW-SJORKVTESA-N 1 3 326.529 2.336 10 0 EEAEHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CC(C)C)CN(C)C)C1 ZINC000073722682 463648751 /nfs/dbraw/zinc/64/87/51/463648751.db2.gz AGWCJIUJNPDWRW-SJORKVTESA-N 1 3 326.529 2.336 10 0 EEAEHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000073793554 463656986 /nfs/dbraw/zinc/65/69/86/463656986.db2.gz NOVOUQZLNADGNJ-RBUKOAKNSA-N 1 3 346.519 2.285 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)n1cccc1 ZINC000522649789 468373773 /nfs/dbraw/zinc/37/37/73/468373773.db2.gz AHQYSZBHETWPCP-QZTJIDSGSA-N 1 3 334.508 2.314 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)n1cccc1 ZINC000522649789 468373776 /nfs/dbraw/zinc/37/37/76/468373776.db2.gz AHQYSZBHETWPCP-QZTJIDSGSA-N 1 3 334.508 2.314 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000194348360 463842361 /nfs/dbraw/zinc/84/23/61/463842361.db2.gz HIZNTPOPMYUDIG-SFHVURJKSA-N 1 3 329.488 2.150 10 0 EEAEHO NC[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000261819459 463869387 /nfs/dbraw/zinc/86/93/87/463869387.db2.gz SDRWPACUQODJJL-NEWSRXKRSA-N 1 3 341.430 2.069 10 0 EEAEHO CN(C)[C@@H]1CCN(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000186271151 463966292 /nfs/dbraw/zinc/96/62/92/463966292.db2.gz BIJGGXVLPACJTF-MOPGFXCFSA-N 1 3 344.503 2.243 10 0 EEAEHO CN(C)[C@@H]1CCN(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000186271151 463966296 /nfs/dbraw/zinc/96/62/96/463966296.db2.gz BIJGGXVLPACJTF-MOPGFXCFSA-N 1 3 344.503 2.243 10 0 EEAEHO CCN1CC[C@H]([N@H+](C)C[C@H](O)COc2cccc(C(C)=O)c2)[C@@H](C)C1 ZINC000269657914 464050242 /nfs/dbraw/zinc/05/02/42/464050242.db2.gz SOKJOUOYIXJZPH-QSFXBCCZSA-N 1 3 348.487 2.291 10 0 EEAEHO CCN1CC[C@H]([N@@H+](C)C[C@H](O)COc2cccc(C(C)=O)c2)[C@@H](C)C1 ZINC000269657914 464050247 /nfs/dbraw/zinc/05/02/47/464050247.db2.gz SOKJOUOYIXJZPH-QSFXBCCZSA-N 1 3 348.487 2.291 10 0 EEAEHO COC[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)C1CCOCC1 ZINC000187789197 464162622 /nfs/dbraw/zinc/16/26/22/464162622.db2.gz CEFYFVNNRNFGAE-LJQANCHMSA-N 1 3 336.476 2.158 10 0 EEAEHO CC[NH+]1CCN(Cc2ccc(CNCc3conc3C)cc2)CC1 ZINC000294242671 464442837 /nfs/dbraw/zinc/44/28/37/464442837.db2.gz UECYIJCZGYJMHG-UHFFFAOYSA-N 1 3 328.460 2.410 10 0 EEAEHO C[C@H](CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)[N@H+](C)C1CC1 ZINC000245683030 464507373 /nfs/dbraw/zinc/50/73/73/464507373.db2.gz VSUSJOKTINCQAI-JLSDUUJJSA-N 1 3 330.476 2.214 10 0 EEAEHO C[C@H](CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)[N@@H+](C)C1CC1 ZINC000245683030 464507377 /nfs/dbraw/zinc/50/73/77/464507377.db2.gz VSUSJOKTINCQAI-JLSDUUJJSA-N 1 3 330.476 2.214 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246565077 464601281 /nfs/dbraw/zinc/60/12/81/464601281.db2.gz ZEQGMXBZAYFTNN-MHORFTMASA-N 1 3 338.540 2.479 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246565077 464601287 /nfs/dbraw/zinc/60/12/87/464601287.db2.gz ZEQGMXBZAYFTNN-MHORFTMASA-N 1 3 338.540 2.479 10 0 EEAEHO CN(C(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1CN2CCC1CC2 ZINC000347954603 465332073 /nfs/dbraw/zinc/33/20/73/465332073.db2.gz SHLOVEKXCZPJET-LJQANCHMSA-N 1 3 327.472 2.449 10 0 EEAEHO CN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000310550653 466516686 /nfs/dbraw/zinc/51/66/86/466516686.db2.gz UJIAOTXRJDBJKZ-MJGOQNOKSA-N 1 3 329.488 2.484 10 0 EEAEHO C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000368428087 466632559 /nfs/dbraw/zinc/63/25/59/466632559.db2.gz CAGYMJHTCUYDON-BVYOLEPJSA-N 1 3 345.487 2.287 10 0 EEAEHO C[NH+]1CCC(CC(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000373254263 466744502 /nfs/dbraw/zinc/74/45/02/466744502.db2.gz DUMLSTYXRNBSCY-UHFFFAOYSA-N 1 3 339.549 2.196 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417542187 466879713 /nfs/dbraw/zinc/87/97/13/466879713.db2.gz ZODOERCFVULIAI-SOLBZPMBSA-N 1 3 336.524 2.423 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@@H](C)C1 ZINC000365897160 466981605 /nfs/dbraw/zinc/98/16/05/466981605.db2.gz VORBTFDIPMCLHL-MPGHIAIKSA-N 1 3 327.488 2.388 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@@H](C)C1 ZINC000365897160 466981611 /nfs/dbraw/zinc/98/16/11/466981611.db2.gz VORBTFDIPMCLHL-MPGHIAIKSA-N 1 3 327.488 2.388 10 0 EEAEHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccco1 ZINC000418171764 467064561 /nfs/dbraw/zinc/06/45/61/467064561.db2.gz VOKKTKJZQFULBY-FRQCXROJSA-N 1 3 348.491 2.494 10 0 EEAEHO CCN(C(=O)NC[C@H](C)C[NH3+])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418462762 467114752 /nfs/dbraw/zinc/11/47/52/467114752.db2.gz BUDKBLIUUIXYSY-JFIYKMOQSA-N 1 3 332.492 2.448 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000418587323 467132328 /nfs/dbraw/zinc/13/23/28/467132328.db2.gz GMWVIGLBLJGTEP-WBVHZDCISA-N 1 3 332.492 2.194 10 0 EEAEHO CCN(C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418624386 467137170 /nfs/dbraw/zinc/13/71/70/467137170.db2.gz YVNICZLPAACWPI-NZSAHSFTSA-N 1 3 344.503 2.290 10 0 EEAEHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000418709845 467149101 /nfs/dbraw/zinc/14/91/01/467149101.db2.gz VEQHOMINZBPFMJ-QWHCGFSZSA-N 1 3 326.872 2.149 10 0 EEAEHO O=C(NC1CC([NH+]2CCCCC2)C1)C1C[C@@H](c2ccccc2)OC1=O ZINC000377852887 467153419 /nfs/dbraw/zinc/15/34/19/467153419.db2.gz UXVKDKRKOSYLJE-FOIPXRHGSA-N 1 3 342.439 2.424 10 0 EEAEHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000377897617 467161596 /nfs/dbraw/zinc/16/15/96/467161596.db2.gz BGDNKPUAOXUZMF-QAPCUYQASA-N 1 3 327.488 2.389 10 0 EEAEHO CC(C)[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccnc1 ZINC000414202128 467390372 /nfs/dbraw/zinc/39/03/72/467390372.db2.gz UDHDUYQCLNYNRY-IBGZPJMESA-N 1 3 346.519 2.165 10 0 EEAEHO CC1=C[C@H](C)CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000430574633 467443618 /nfs/dbraw/zinc/44/36/18/467443618.db2.gz JAOZQQRBSGZFOT-HNNXBMFYSA-N 1 3 334.508 2.153 10 0 EEAEHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458346534 467812749 /nfs/dbraw/zinc/81/27/49/467812749.db2.gz SOVGMEBBEHBFOE-ZACQAIPSSA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458346534 467812752 /nfs/dbraw/zinc/81/27/52/467812752.db2.gz SOVGMEBBEHBFOE-ZACQAIPSSA-N 1 3 336.524 2.375 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@H](C[NH3+])C2CCCC2)[C@@H]1c1ccccc1 ZINC000516857040 468050389 /nfs/dbraw/zinc/05/03/89/468050389.db2.gz LYCOMJBOSJHTOY-KSZLIROESA-N 1 3 330.476 2.249 10 0 EEAEHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2(N)CCOCC2)c2ccccc21 ZINC000600706476 468626749 /nfs/dbraw/zinc/62/67/49/468626749.db2.gz FCCQVOKMIITOMB-DLBZAZTESA-N 1 3 332.444 2.266 10 0 EEAEHO CN(C(=O)NC[C@]1(C)CCCN1Cc1ccccc1)C1CC([NH3+])C1 ZINC000584400296 468862839 /nfs/dbraw/zinc/86/28/39/468862839.db2.gz UWUODMLPQIBKEL-TVPLGVNVSA-N 1 3 330.476 2.172 10 0 EEAEHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCc3ccccc3[C@@H]2CN)cc1 ZINC000572118375 468888131 /nfs/dbraw/zinc/88/81/31/468888131.db2.gz ARWRYVPMKYPGBU-LIRRHRJNSA-N 1 3 338.455 2.474 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000584709419 468918026 /nfs/dbraw/zinc/91/80/26/468918026.db2.gz FPMYEPGBFVAGFZ-AHCXZYCDSA-N 1 3 330.476 2.119 10 0 EEAEHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCN(C)C(C)(C)C3)cn2)CCO1 ZINC000623358008 469634051 /nfs/dbraw/zinc/63/40/51/469634051.db2.gz LKPPIGWYGDOTDI-NVXWUHKLSA-N 1 3 332.492 2.269 10 0 EEAEHO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623477222 469668309 /nfs/dbraw/zinc/66/83/09/469668309.db2.gz CPKNHTGRNHITFV-GOEBONIOSA-N 1 3 328.460 2.247 10 0 EEAEHO CNc1cc(Cl)ccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617502350 469698875 /nfs/dbraw/zinc/69/88/75/469698875.db2.gz MGYJCDAVSABNDW-ZDUSSCGKSA-N 1 3 340.899 2.384 10 0 EEAEHO CNc1cc(Cl)ccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617502350 469698878 /nfs/dbraw/zinc/69/88/78/469698878.db2.gz MGYJCDAVSABNDW-ZDUSSCGKSA-N 1 3 340.899 2.384 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)ccc1F ZINC000617504180 469701087 /nfs/dbraw/zinc/70/10/87/469701087.db2.gz JHEUHCPNVGGAOT-LBPRGKRZSA-N 1 3 329.847 2.481 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)ccc1F ZINC000617504180 469701093 /nfs/dbraw/zinc/70/10/93/469701093.db2.gz JHEUHCPNVGGAOT-LBPRGKRZSA-N 1 3 329.847 2.481 10 0 EEAEHO C[C@@H](NC(=O)NC[C@@H]1CCCN1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000623866895 469783077 /nfs/dbraw/zinc/78/30/77/469783077.db2.gz JMIZSEYEGGZFLK-QRQLOZEOSA-N 1 3 344.503 2.290 10 0 EEAEHO C[C@@H](NC(=O)NC[C@@H]1CCCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000623866895 469783081 /nfs/dbraw/zinc/78/30/81/469783081.db2.gz JMIZSEYEGGZFLK-QRQLOZEOSA-N 1 3 344.503 2.290 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)N[C@H](CN)c2ccc3ccccc3c2)C[NH2+]1 ZINC000627083516 469808757 /nfs/dbraw/zinc/80/87/57/469808757.db2.gz UMONGGVHOYZFQI-FSPWUOQZSA-N 1 3 326.444 2.279 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000627164830 469830993 /nfs/dbraw/zinc/83/09/93/469830993.db2.gz IBVIEXVCUKNKNI-OKZBNKHCSA-N 1 3 330.476 2.043 10 0 EEAEHO CCN1CCN(c2ccccc2NC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000617918747 469836971 /nfs/dbraw/zinc/83/69/71/469836971.db2.gz LJLWBALZKNXTDB-INIZCTEOSA-N 1 3 345.491 2.044 10 0 EEAEHO CCN1CCN(c2ccccc2NC(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000617918747 469836972 /nfs/dbraw/zinc/83/69/72/469836972.db2.gz LJLWBALZKNXTDB-INIZCTEOSA-N 1 3 345.491 2.044 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000627240004 469853262 /nfs/dbraw/zinc/85/32/62/469853262.db2.gz JMAJUVIBGOIVOZ-CGTJXYLNSA-N 1 3 330.476 2.043 10 0 EEAEHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000620825516 469929976 /nfs/dbraw/zinc/92/99/76/469929976.db2.gz LQARLLNZXDTHCK-RBUKOAKNSA-N 1 3 344.503 2.292 10 0 EEAEHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000620825516 469929981 /nfs/dbraw/zinc/92/99/81/469929981.db2.gz LQARLLNZXDTHCK-RBUKOAKNSA-N 1 3 344.503 2.292 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCCc2ccc(OCCN(C)C)cc2)CC[N@@H+]1C ZINC000630928437 470029961 /nfs/dbraw/zinc/02/99/61/470029961.db2.gz KZIAHGXUZRQVRE-RBUKOAKNSA-N 1 3 347.503 2.016 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCCc2ccc(OCCN(C)C)cc2)CC[N@H+]1C ZINC000630928437 470029962 /nfs/dbraw/zinc/02/99/62/470029962.db2.gz KZIAHGXUZRQVRE-RBUKOAKNSA-N 1 3 347.503 2.016 10 0 EEAEHO COCCN1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000631196826 470090623 /nfs/dbraw/zinc/09/06/23/470090623.db2.gz VOIPLQDOEVBHTH-RLLQIKCJSA-N 1 3 331.504 2.065 10 0 EEAEHO COCCN1CC[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000631196826 470090625 /nfs/dbraw/zinc/09/06/25/470090625.db2.gz VOIPLQDOEVBHTH-RLLQIKCJSA-N 1 3 331.504 2.065 10 0 EEAEHO COCCN1CC[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000631196826 470090628 /nfs/dbraw/zinc/09/06/28/470090628.db2.gz VOIPLQDOEVBHTH-RLLQIKCJSA-N 1 3 331.504 2.065 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000625286490 470112334 /nfs/dbraw/zinc/11/23/34/470112334.db2.gz HIOBHDGTQFCAIW-CGTJXYLNSA-N 1 3 349.906 2.178 10 0 EEAEHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000649102252 470463776 /nfs/dbraw/zinc/46/37/76/470463776.db2.gz ZMEVXMWTUNGQEQ-DKKFBQAASA-N 1 3 329.488 2.321 10 0 EEAEHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000649102252 470463781 /nfs/dbraw/zinc/46/37/81/470463781.db2.gz ZMEVXMWTUNGQEQ-DKKFBQAASA-N 1 3 329.488 2.321 10 0 EEAEHO [NH3+]C1CCC(OCC(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000645995655 470487020 /nfs/dbraw/zinc/48/70/20/470487020.db2.gz BYCBVBOVNFJUQF-JLAWEPINSA-N 1 3 345.487 2.054 10 0 EEAEHO COCCC1(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC[NH2+]CC1 ZINC000649332335 470548345 /nfs/dbraw/zinc/54/83/45/470548345.db2.gz UCFZKMDEDDCXQW-QGZVFWFLSA-N 1 3 347.503 2.029 10 0 EEAEHO NC[C@H]1c2ccccc2CCN1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000646204936 470564925 /nfs/dbraw/zinc/56/49/25/470564925.db2.gz QLHHMDDCJWVAGC-IBGZPJMESA-N 1 3 336.439 2.058 10 0 EEAEHO CN(CCC(=O)N1CCC(C)([NH+]2CCCC2)CC1)c1ccncc1 ZINC000633945109 470646974 /nfs/dbraw/zinc/64/69/74/470646974.db2.gz ZIDFGJFNUYSKSU-UHFFFAOYSA-N 1 3 330.476 2.385 10 0 EEAEHO C[C@H](NCC1CC[NH+](CCN(C)C)CC1)c1cc2n(n1)CCCC2 ZINC000647288146 470877378 /nfs/dbraw/zinc/87/73/78/470877378.db2.gz OIQITGQNHFIXNI-INIZCTEOSA-N 1 3 333.524 2.144 10 0 EEAEHO CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000654660728 471119072 /nfs/dbraw/zinc/11/90/72/471119072.db2.gz DUKMZGZGSYGEFT-QRVBRYPASA-N 1 3 344.503 2.243 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)NCCC2(C[NH3+])CC2)N(C)C)cc1 ZINC000652119604 471238949 /nfs/dbraw/zinc/23/89/49/471238949.db2.gz NPKPZVSVVBSFQL-KRWDZBQOSA-N 1 3 332.492 2.280 10 0 EEAEHO Cc1cc2ncc([C@@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C)c(C)n2n1 ZINC000658109329 471266831 /nfs/dbraw/zinc/26/68/31/471266831.db2.gz WBYDRPODIOKXGZ-JKSUJKDBSA-N 1 3 346.523 2.269 10 0 EEAEHO C[NH2+]CCCC(=O)N1CCC(NCc2cscc2Cl)CC1 ZINC000663503484 471402802 /nfs/dbraw/zinc/40/28/02/471402802.db2.gz JJIMRIIQLMCCED-UHFFFAOYSA-N 1 3 329.897 2.482 10 0 EEAEHO C[NH2+]CCCC(=O)N1CCC(NCc2cc(F)ccc2F)CC1 ZINC000663504624 471404130 /nfs/dbraw/zinc/40/41/30/471404130.db2.gz ZEGSRGAWMGJRNM-UHFFFAOYSA-N 1 3 325.403 2.045 10 0 EEAEHO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659033208 471476254 /nfs/dbraw/zinc/47/62/54/471476254.db2.gz IOTFCEZPXUQFGE-WMLDXEAASA-N 1 3 334.464 2.199 10 0 EEAEHO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659033208 471476259 /nfs/dbraw/zinc/47/62/59/471476259.db2.gz IOTFCEZPXUQFGE-WMLDXEAASA-N 1 3 334.464 2.199 10 0 EEAEHO [NH3+]C[C@@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)C(F)(F)F ZINC000655911531 471532969 /nfs/dbraw/zinc/53/29/69/471532969.db2.gz FKPTVGMMBJWODY-ZIAGYGMSSA-N 1 3 344.381 2.012 10 0 EEAEHO [NH3+]C[C@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C(F)(F)F ZINC000655911528 471533504 /nfs/dbraw/zinc/53/35/04/471533504.db2.gz FKPTVGMMBJWODY-KBPBESRZSA-N 1 3 344.381 2.012 10 0 EEAEHO CCN(C(=O)NCc1cccc(C[N@H+](C)CC)c1)[C@@H]1CCN(C)C1 ZINC000663868487 471556406 /nfs/dbraw/zinc/55/64/06/471556406.db2.gz RQGTXVMSNZHRCS-GOSISDBHSA-N 1 3 332.492 2.374 10 0 EEAEHO CCN(C(=O)NCc1cccc(C[N@@H+](C)CC)c1)[C@@H]1CCN(C)C1 ZINC000663868487 471556413 /nfs/dbraw/zinc/55/64/13/471556413.db2.gz RQGTXVMSNZHRCS-GOSISDBHSA-N 1 3 332.492 2.374 10 0 EEAEHO N[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC[C@H]1F ZINC000659424389 471620313 /nfs/dbraw/zinc/62/03/13/471620313.db2.gz DEMIBONRQCCSFV-HZPDHXFCSA-N 1 3 340.487 2.256 10 0 EEAEHO COCCN(C)c1ccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656782244 471839379 /nfs/dbraw/zinc/83/93/79/471839379.db2.gz CZPFZYSWTRBNPU-LJQANCHMSA-N 1 3 346.519 2.376 10 0 EEAEHO COc1ccc([C@H]2CCCN2C[C@H]2CCC3(C[NH2+]C3)O2)cc1OC ZINC000662249373 472041881 /nfs/dbraw/zinc/04/18/81/472041881.db2.gz ULWRTAYNZBGQDX-HZPDHXFCSA-N 1 3 332.444 2.362 10 0 EEAEHO O=C([C@@H]1CCC[N@H+](Cc2cccc3c2CCNC3)C1)N1CCCC1 ZINC000662256657 472044167 /nfs/dbraw/zinc/04/41/67/472044167.db2.gz XRDOVWMRHQGMQP-GOSISDBHSA-N 1 3 327.472 2.167 10 0 EEAEHO O=C([C@@H]1CCC[N@@H+](Cc2cccc3c2CCNC3)C1)N1CCCC1 ZINC000662256657 472044170 /nfs/dbraw/zinc/04/41/70/472044170.db2.gz XRDOVWMRHQGMQP-GOSISDBHSA-N 1 3 327.472 2.167 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)c2cc(C(C)(C)N)no2)[NH+](C)C)cc1 ZINC000662664261 472194434 /nfs/dbraw/zinc/19/44/34/472194434.db2.gz VYSGKSGPGUHIBE-OAHLLOKOSA-N 1 3 344.459 2.464 10 0 EEAEHO COc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)c1 ZINC000665952191 472249097 /nfs/dbraw/zinc/24/90/97/472249097.db2.gz KLFJCRNNBTWCMW-HNNXBMFYSA-N 1 3 336.480 2.397 10 0 EEAEHO COc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)c1 ZINC000665952191 472249102 /nfs/dbraw/zinc/24/91/02/472249102.db2.gz KLFJCRNNBTWCMW-HNNXBMFYSA-N 1 3 336.480 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CN1CCC([N@H+]2CC[C@H](N[C@H]3c4ccccc4OC[C@H]3F)C2)CC1 ZINC000866264664 1201479751 /nfs/dbraw/zinc/47/97/51/1201479751.db2.gz CMCGSZCEIJWVJL-YJLNNSPDSA-N 1 3 333.451 2.216 10 0 EEAEHO C[C@H](NCCCN(C)C(=O)CC[NH+](C)C)c1c(F)cccc1F ZINC001276209628 1205834337 /nfs/dbraw/zinc/83/43/37/1205834337.db2.gz XZWLVDJXNFLFRG-ZDUSSCGKSA-N 1 3 327.419 2.416 10 0 EEAEHO Cc1cccnc1C[NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001276227826 1205844393 /nfs/dbraw/zinc/84/43/93/1205844393.db2.gz YOAQGZWAELNKDH-UHFFFAOYSA-N 1 3 334.508 2.306 10 0 EEAEHO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCN(C)[C@@H]2C)c1 ZINC000925327512 1206097523 /nfs/dbraw/zinc/09/75/23/1206097523.db2.gz GCMIFKBRMVIDBG-SJLPKXTDSA-N 1 3 332.492 2.161 10 0 EEAEHO O=C(CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)NCc1ccccc1 ZINC000925541569 1206125407 /nfs/dbraw/zinc/12/54/07/1206125407.db2.gz BPBGIVLSDUKARK-RTBURBONSA-N 1 3 329.488 2.451 10 0 EEAEHO O[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)COc1ccc(F)cc1 ZINC000925563633 1206128770 /nfs/dbraw/zinc/12/87/70/1206128770.db2.gz OTGNUYCQEJBMDN-BHIYHBOVSA-N 1 3 336.451 2.323 10 0 EEAEHO CCOC(=O)COc1ccc(CCN[C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925573835 1206130653 /nfs/dbraw/zinc/13/06/53/1206130653.db2.gz REDDHZZFDZVOPR-IRXDYDNUSA-N 1 3 332.444 2.031 10 0 EEAEHO Fc1ccc([C@@H](NCCCCC[NH+]2CCNCC2)c2ncc[nH]2)cc1 ZINC000925846123 1206159501 /nfs/dbraw/zinc/15/95/01/1206159501.db2.gz KFLOIZAZOCNEHE-GOSISDBHSA-N 1 3 345.466 2.303 10 0 EEAEHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)CC[C@H](O)c3ccccc3)CC[C@H]21 ZINC000929848980 1206508809 /nfs/dbraw/zinc/50/88/09/1206508809.db2.gz VKYANMGHEZWZGT-WTGUMLROSA-N 1 3 332.488 2.277 10 0 EEAEHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)CC[C@H](O)c3ccccc3)CC[C@H]21 ZINC000929848980 1206508811 /nfs/dbraw/zinc/50/88/11/1206508811.db2.gz VKYANMGHEZWZGT-WTGUMLROSA-N 1 3 332.488 2.277 10 0 EEAEHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)CC[C@H](O)c3ccccc3)CC[C@H]21 ZINC000929848980 1206508812 /nfs/dbraw/zinc/50/88/12/1206508812.db2.gz VKYANMGHEZWZGT-WTGUMLROSA-N 1 3 332.488 2.277 10 0 EEAEHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)CC[C@H](O)c3ccccc3)CC[C@H]21 ZINC000929848980 1206508816 /nfs/dbraw/zinc/50/88/16/1206508816.db2.gz VKYANMGHEZWZGT-WTGUMLROSA-N 1 3 332.488 2.277 10 0 EEAEHO Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001490843308 1208467599 /nfs/dbraw/zinc/46/75/99/1208467599.db2.gz SFAHFXUEFZDBQW-KRWDZBQOSA-N 1 3 326.444 2.084 10 0 EEAEHO CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901128482 1235258002 /nfs/dbraw/zinc/25/80/02/1235258002.db2.gz XQGUOCCYWGKDIZ-IEBWSBKVSA-N 1 3 345.487 2.299 10 0 EEAEHO CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901128482 1235258004 /nfs/dbraw/zinc/25/80/04/1235258004.db2.gz XQGUOCCYWGKDIZ-IEBWSBKVSA-N 1 3 345.487 2.299 10 0 EEAEHO CC(=O)c1ccc2c(c1)CCN(C[C@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000903757032 1241850992 /nfs/dbraw/zinc/85/09/92/1241850992.db2.gz AQGCBKKXYMLMKI-HXUWFJFHSA-N 1 3 342.483 2.449 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CN(C)CCOc2ccc(C)cc2)cnn1C ZINC000903876781 1242280285 /nfs/dbraw/zinc/28/02/85/1242280285.db2.gz INUOIFNUWIUYKJ-KRWDZBQOSA-N 1 3 330.476 2.165 10 0 EEAEHO COc1cccc2c1CC[C@@H]2NC[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903921888 1242509914 /nfs/dbraw/zinc/50/99/14/1242509914.db2.gz SDLCOOXMQNRDGJ-KDOFPFPSSA-N 1 3 328.460 2.132 10 0 EEAEHO CCOCCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001489280926 1290505410 /nfs/dbraw/zinc/50/54/10/1290505410.db2.gz KPEDRZTVHJZUIF-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CCCc2cn[nH]c21 ZINC000857867696 1293936647 /nfs/dbraw/zinc/93/66/47/1293936647.db2.gz IJPPWMZISPOPHS-MRXNPFEDSA-N 1 3 329.448 2.302 10 0 EEAEHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCc4nnn(C)c4C3)CC2)C1 ZINC000927149786 1297037471 /nfs/dbraw/zinc/03/74/71/1297037471.db2.gz IWCVOTHNYKCPSN-PVAVHDDUSA-N 1 3 331.508 2.305 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CCCC1 ZINC001278276503 1308949756 /nfs/dbraw/zinc/94/97/56/1308949756.db2.gz WGXLERWHSNLHBE-IRXDYDNUSA-N 1 3 327.488 2.483 10 0 EEAEHO C[C@@H]1C[C@H]([NH2+]CCOC2CCC2)CN1C(=O)CN(C)CC(C)(C)C ZINC001278402835 1310058951 /nfs/dbraw/zinc/05/89/51/1310058951.db2.gz DECLMWWVQKBXTO-CVEARBPZSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1nc(C)c(CNCCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)o1 ZINC001276398905 1314726939 /nfs/dbraw/zinc/72/69/39/1314726939.db2.gz FBWGMQZJGZMHPU-KBPBESRZSA-N 1 3 336.480 2.102 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc(Cl)n1 ZINC000843505016 1315924858 /nfs/dbraw/zinc/92/48/58/1315924858.db2.gz UBEYISVVKJZUIU-UONOGXRCSA-N 1 3 336.867 2.224 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CCCCC(F)(F)F ZINC001264727336 1322793932 /nfs/dbraw/zinc/79/39/32/1322793932.db2.gz GYZIEDMLYUKQBQ-KGLIPLIRSA-N 1 3 347.425 2.394 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCCC[N@H+](C)Cc2ccc(F)c(F)c2)C1 ZINC001265036321 1322878952 /nfs/dbraw/zinc/87/89/52/1322878952.db2.gz BGBUSPTUHICXRB-CQSZACIVSA-N 1 3 339.430 2.245 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCCC[N@@H+](C)Cc2ccc(F)c(F)c2)C1 ZINC001265036321 1322878957 /nfs/dbraw/zinc/87/89/57/1322878957.db2.gz BGBUSPTUHICXRB-CQSZACIVSA-N 1 3 339.430 2.245 10 0 EEAEHO CC(C)Oc1ccccc1CN(C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001265068238 1322905443 /nfs/dbraw/zinc/90/54/43/1322905443.db2.gz BUWVVCFMPCOCPL-SFHVURJKSA-N 1 3 347.503 2.364 10 0 EEAEHO CC(C)Oc1ccccc1CN(C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001265068238 1322905445 /nfs/dbraw/zinc/90/54/45/1322905445.db2.gz BUWVVCFMPCOCPL-SFHVURJKSA-N 1 3 347.503 2.364 10 0 EEAEHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1cnn(C(C)(C)C)c1 ZINC001266028433 1323579683 /nfs/dbraw/zinc/57/96/83/1323579683.db2.gz STOHVNRGJBWQHT-QGZVFWFLSA-N 1 3 349.523 2.061 10 0 EEAEHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1cnn(C(C)(C)C)c1 ZINC001266028433 1323579688 /nfs/dbraw/zinc/57/96/88/1323579688.db2.gz STOHVNRGJBWQHT-QGZVFWFLSA-N 1 3 349.523 2.061 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2scnc2C)C1)N(C)C ZINC001280093588 1324082035 /nfs/dbraw/zinc/08/20/35/1324082035.db2.gz BLSRNHBUFFMKMY-LSDHHAIUSA-N 1 3 338.521 2.120 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CC[NH2+]Cc2ccc(CF)cc2)C1 ZINC001280207351 1324114254 /nfs/dbraw/zinc/11/42/54/1324114254.db2.gz JPPONXQVVYMUPN-QGZVFWFLSA-N 1 3 344.434 2.450 10 0 EEAEHO CCCN(C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001282927905 1325838717 /nfs/dbraw/zinc/83/87/17/1325838717.db2.gz IKIPQWHZQXEVGH-FUHWJXTLSA-N 1 3 337.508 2.034 10 0 EEAEHO COCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001316662483 1329974934 /nfs/dbraw/zinc/97/49/34/1329974934.db2.gz KYFTXRAIYYGTTQ-OKZBNKHCSA-N 1 3 339.524 2.162 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@H](NCc2nccs2)C1 ZINC001491891743 1330291830 /nfs/dbraw/zinc/29/18/30/1330291830.db2.gz NPNZOZUZEOHZQN-LSDHHAIUSA-N 1 3 338.521 2.392 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[C@H]1CCC[N@@H+]1CC[C@@H]1CCCO1 ZINC001492176162 1331055087 /nfs/dbraw/zinc/05/50/87/1331055087.db2.gz SKRTWAKTKLWHDJ-IRXDYDNUSA-N 1 3 348.491 2.191 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[C@H]1CCC[N@H+]1CC[C@@H]1CCCO1 ZINC001492176162 1331055093 /nfs/dbraw/zinc/05/50/93/1331055093.db2.gz SKRTWAKTKLWHDJ-IRXDYDNUSA-N 1 3 348.491 2.191 10 0 EEAEHO C[N@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CC1CC(F)(F)C1 ZINC001492422997 1331236312 /nfs/dbraw/zinc/23/63/12/1331236312.db2.gz KRRVINMETPIYLC-MRXNPFEDSA-N 1 3 349.441 2.292 10 0 EEAEHO C[N@@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CC1CC(F)(F)C1 ZINC001492422997 1331236316 /nfs/dbraw/zinc/23/63/16/1331236316.db2.gz KRRVINMETPIYLC-MRXNPFEDSA-N 1 3 349.441 2.292 10 0 EEAEHO CCN(CCCNC(=O)C12CCC[NH+]1CCC2)Cc1ccccn1 ZINC001316895382 1331961555 /nfs/dbraw/zinc/96/15/55/1331961555.db2.gz KGQCTCMXGKPXLH-UHFFFAOYSA-N 1 3 330.476 2.038 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CCC[C@H]2CCOC2)CC1 ZINC001317220991 1332142110 /nfs/dbraw/zinc/14/21/10/1332142110.db2.gz QZBRHODFOHOJGE-GTPINHCMSA-N 1 3 348.491 2.094 10 0 EEAEHO CC(C)OCC[NH2+]C1CCC(NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001317227277 1332144304 /nfs/dbraw/zinc/14/43/04/1332144304.db2.gz WTUKCILZPSJVCD-UHFFFAOYSA-N 1 3 341.540 2.406 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CCc3ccccc3F)C2)C1 ZINC001317336835 1332184245 /nfs/dbraw/zinc/18/42/45/1332184245.db2.gz JFLSPSFCMHCUTJ-IAGOWNOFSA-N 1 3 347.478 2.148 10 0 EEAEHO COCCCCN1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001317955100 1332450825 /nfs/dbraw/zinc/45/08/25/1332450825.db2.gz DQGHVRVMXNEMEQ-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CCN(CCNCc1cccnc1C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001320862132 1332966836 /nfs/dbraw/zinc/96/68/36/1332966836.db2.gz GFTJHYMZEODWRD-RBUKOAKNSA-N 1 3 344.503 2.345 10 0 EEAEHO CCN(CCNCc1cccnc1C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001320862132 1332966837 /nfs/dbraw/zinc/96/68/37/1332966837.db2.gz GFTJHYMZEODWRD-RBUKOAKNSA-N 1 3 344.503 2.345 10 0 EEAEHO Cc1ccc(F)cc1CNC/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321063613 1333009015 /nfs/dbraw/zinc/00/90/15/1333009015.db2.gz IOMZBTFSGJAAKC-FFPCURRISA-N 1 3 345.462 2.238 10 0 EEAEHO C[NH+](C)CC1(C(=O)NC/C=C\CN[C@H]2CCc3c2cccc3F)CC1 ZINC001321208622 1333044656 /nfs/dbraw/zinc/04/46/56/1333044656.db2.gz BAPOACBWXBVOEA-JXCVUKRWSA-N 1 3 345.462 2.417 10 0 EEAEHO CC[C@@H](C(=O)NCC1([NH2+]CC[C@H]2CC2(Cl)Cl)CC1)N(C)C ZINC001323540944 1333484929 /nfs/dbraw/zinc/48/49/29/1333484929.db2.gz GWIFZSFIJVJCQS-RYUDHWBXSA-N 1 3 336.307 2.149 10 0 EEAEHO CC(C)COCC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001328260305 1334429061 /nfs/dbraw/zinc/42/90/61/1334429061.db2.gz RYVSPYQSCQKRPV-IRXDYDNUSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)COCC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001328260305 1334429063 /nfs/dbraw/zinc/42/90/63/1334429063.db2.gz RYVSPYQSCQKRPV-IRXDYDNUSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1nc(C)c(CNCCC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)o1 ZINC001330953075 1334934165 /nfs/dbraw/zinc/93/41/65/1334934165.db2.gz BTAJDKDBDUKKSS-CJNGLKHVSA-N 1 3 336.480 2.008 10 0 EEAEHO Cc1nc(C)c(CNCCC[C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001330953075 1334934166 /nfs/dbraw/zinc/93/41/66/1334934166.db2.gz BTAJDKDBDUKKSS-CJNGLKHVSA-N 1 3 336.480 2.008 10 0 EEAEHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCc1ccnc(Cl)c1 ZINC001331543517 1335034194 /nfs/dbraw/zinc/03/41/94/1335034194.db2.gz LEBJFLSCNQYAAC-CYBMUJFWSA-N 1 3 338.883 2.013 10 0 EEAEHO CN(C)CCN(Cc1ccccn1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001433674034 1341655546 /nfs/dbraw/zinc/65/55/46/1341655546.db2.gz QILHPDGXWUKDKU-SJLPKXTDSA-N 1 3 332.492 2.092 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@@H+]2CCCc2ccccc2)C1 ZINC001436322242 1342026951 /nfs/dbraw/zinc/02/69/51/1342026951.db2.gz NDDWBOZXNPOFLF-ICSRJNTNSA-N 1 3 343.515 2.494 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@H+]2CCCc2ccccc2)C1 ZINC001436322242 1342026953 /nfs/dbraw/zinc/02/69/53/1342026953.db2.gz NDDWBOZXNPOFLF-ICSRJNTNSA-N 1 3 343.515 2.494 10 0 EEAEHO C[C@@H](NCc1ccc(Cl)nc1)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001570626861 1343093569 /nfs/dbraw/zinc/09/35/69/1343093569.db2.gz HUXRZGWCUPHSPD-CHWSQXEVSA-N 1 3 338.883 2.060 10 0 EEAEHO CCCCOCCN1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001660794589 1354540004 /nfs/dbraw/zinc/54/00/04/1354540004.db2.gz RKTYKUYZQIVETF-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCCOCCN1CCC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001660794589 1354540005 /nfs/dbraw/zinc/54/00/05/1354540005.db2.gz RKTYKUYZQIVETF-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO CC(C)OCCCN1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001661027830 1354576116 /nfs/dbraw/zinc/57/61/16/1354576116.db2.gz CROBYANRQNPMMM-MSOLQXFVSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001661027830 1354576117 /nfs/dbraw/zinc/57/61/17/1354576117.db2.gz CROBYANRQNPMMM-MSOLQXFVSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)OCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001661027830 1354576120 /nfs/dbraw/zinc/57/61/20/1354576120.db2.gz CROBYANRQNPMMM-MSOLQXFVSA-N 1 3 339.524 2.257 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001661818244 1354702297 /nfs/dbraw/zinc/70/22/97/1354702297.db2.gz MCUKVGWWSUKMMN-QGZVFWFLSA-N 1 3 326.444 2.023 10 0 EEAEHO CCOCCN1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001661885647 1354718495 /nfs/dbraw/zinc/71/84/95/1354718495.db2.gz LPSIJQZENAMGIH-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001662934454 1354877872 /nfs/dbraw/zinc/87/78/72/1354877872.db2.gz GAXRGXHPQKGKKO-CJNGLKHVSA-N 1 3 340.899 2.306 10 0 EEAEHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1C[NH2+]CCc1ccccc1 ZINC001667395398 1355732011 /nfs/dbraw/zinc/73/20/11/1355732011.db2.gz ZVNJXWRFUYWDIB-QFBILLFUSA-N 1 3 340.471 2.412 10 0 EEAEHO COCCC[N@H+](C)CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001667414086 1355736864 /nfs/dbraw/zinc/73/68/64/1355736864.db2.gz WMSZMANOALLKPP-UHFFFAOYSA-N 1 3 339.524 2.068 10 0 EEAEHO COCCC[N@@H+](C)CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001667414086 1355736869 /nfs/dbraw/zinc/73/68/69/1355736869.db2.gz WMSZMANOALLKPP-UHFFFAOYSA-N 1 3 339.524 2.068 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]Cc1cc(F)cc(F)c1 ZINC001668319780 1355922677 /nfs/dbraw/zinc/92/26/77/1355922677.db2.gz KPJNQCVZFODECQ-CYBMUJFWSA-N 1 3 327.419 2.289 10 0 EEAEHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCCNCc1ncc(C)s1 ZINC001670357990 1356326723 /nfs/dbraw/zinc/32/67/23/1356326723.db2.gz YJSKMFUZHHASQJ-OAHLLOKOSA-N 1 3 338.521 2.264 10 0 EEAEHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCCNCc1ncc(C)s1 ZINC001670357990 1356326728 /nfs/dbraw/zinc/32/67/28/1356326728.db2.gz YJSKMFUZHHASQJ-OAHLLOKOSA-N 1 3 338.521 2.264 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001674146351 1356798061 /nfs/dbraw/zinc/79/80/61/1356798061.db2.gz DDWQROPNKOMHIU-IAGOWNOFSA-N 1 3 341.540 2.360 10 0 EEAEHO CCOCCC[N@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001674146351 1356798064 /nfs/dbraw/zinc/79/80/64/1356798064.db2.gz DDWQROPNKOMHIU-IAGOWNOFSA-N 1 3 341.540 2.360 10 0 EEAEHO C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)NCc1ccnc(Cl)c1 ZINC001674720816 1356883152 /nfs/dbraw/zinc/88/31/52/1356883152.db2.gz CWIGJKARADVTBR-QWHCGFSZSA-N 1 3 326.872 2.060 10 0 EEAEHO C[C@H](CCC[NH2+]Cc1cncn1C)NC(=O)C(C)(C)N1CCCCC1 ZINC001675899985 1357065640 /nfs/dbraw/zinc/06/56/40/1357065640.db2.gz ZNTSMQVONVNGEB-MRXNPFEDSA-N 1 3 349.523 2.059 10 0 EEAEHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@@H]2CNCCF)CC1 ZINC001698948900 1405178770 /nfs/dbraw/zinc/17/87/70/1405178770.db2.gz XEUPKZPRSBTXSP-RDJZCZTQSA-N 1 3 327.488 2.293 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cnn(C(C)(C)C)c1 ZINC000821438395 786753413 /nfs/dbraw/zinc/75/34/13/786753413.db2.gz DVXQIKFGSMEZEV-AWEZNQCLSA-N 1 3 338.500 2.032 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cnn(C(C)(C)C)c1 ZINC000821438395 786753416 /nfs/dbraw/zinc/75/34/16/786753416.db2.gz DVXQIKFGSMEZEV-AWEZNQCLSA-N 1 3 338.500 2.032 10 0 EEAEHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000913097542 788626185 /nfs/dbraw/zinc/62/61/85/788626185.db2.gz NVWYMPYZRXXSFL-NEWSRXKRSA-N 1 3 329.488 2.355 10 0 EEAEHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000913097542 788626191 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EEAEHO CC[C@@](O)(CN1CCC(OCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC000929764021 794410773 /nfs/dbraw/zinc/41/07/73/794410773.db2.gz ZWONVWOYEZWZFI-OAHLLOKOSA-N 1 3 338.414 2.267 10 0 EEAEHO CCOCCN1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H]1CC ZINC001566029396 1125504521 /nfs/dbraw/zinc/50/45/21/1125504521.db2.gz ZLKMAYPEXVYVDK-KSZLIROESA-N 1 3 339.524 2.112 10 0 EEAEHO CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)[C@H]1CC ZINC001566029396 1125504524 /nfs/dbraw/zinc/50/45/24/1125504524.db2.gz ZLKMAYPEXVYVDK-KSZLIROESA-N 1 3 339.524 2.112 10 0 EEAEHO CCOCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)[C@H]1CC ZINC001566029396 1125504530 /nfs/dbraw/zinc/50/45/30/1125504530.db2.gz ZLKMAYPEXVYVDK-KSZLIROESA-N 1 3 339.524 2.112 10 0 EEAEHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](NCc2sccc2Cl)C2CC2)C1 ZINC001436824324 1088426129 /nfs/dbraw/zinc/42/61/29/1088426129.db2.gz CSUOGEMIIMEMFO-TZMCWYRMSA-N 1 3 341.908 2.338 10 0 EEAEHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](NCc2sccc2Cl)C2CC2)C1 ZINC001436824324 1088426134 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CC[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1cc(C)ns1 ZINC001438310214 1090787832 /nfs/dbraw/zinc/78/78/32/1090787832.db2.gz JMHZLTWBIYXVDZ-CABCVRRESA-N 1 3 338.521 2.310 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cncs2)C1 ZINC001438775286 1091365736 /nfs/dbraw/zinc/36/57/36/1091365736.db2.gz UYBUZNLBBNHRLL-LSDHHAIUSA-N 1 3 338.521 2.200 10 0 EEAEHO C[C@H](CNCc1ccccc1OC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001439147359 1091790272 /nfs/dbraw/zinc/79/02/72/1091790272.db2.gz IFGGEOOSADQEAK-OAHLLOKOSA-N 1 3 345.487 2.164 10 0 EEAEHO CCN(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)no1)c1ccccc1 ZINC001439268207 1091924106 /nfs/dbraw/zinc/92/41/06/1091924106.db2.gz ADFLPMZIEGBKJS-MAUKXSAKSA-N 1 3 344.459 2.270 10 0 EEAEHO Cc1ccc(F)cc1CN(C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001439325579 1092003374 /nfs/dbraw/zinc/00/33/74/1092003374.db2.gz KMVIWYSMWPNZPN-DNVCBOLYSA-N 1 3 347.478 2.412 10 0 EEAEHO Cc1cc(F)ccc1C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C1CC1 ZINC001439500444 1092335215 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ZINC001442207288 1096493316 /nfs/dbraw/zinc/49/33/16/1096493316.db2.gz DSQFMCKJMOIUCA-INIZCTEOSA-N 1 3 339.524 2.112 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC001442333595 1096655384 /nfs/dbraw/zinc/65/53/84/1096655384.db2.gz GTRQXVHEICYHRE-APWZRJJASA-N 1 3 347.503 2.038 10 0 EEAEHO COc1ccc(CN(C)CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)cc1 ZINC001442550559 1096913157 /nfs/dbraw/zinc/91/31/57/1096913157.db2.gz CVPGRQTXNBVTFE-HKUYNNGSSA-N 1 3 345.487 2.260 10 0 EEAEHO COc1ccc(CN(C)CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)cc1 ZINC001442550559 1096913161 /nfs/dbraw/zinc/91/31/61/1096913161.db2.gz CVPGRQTXNBVTFE-HKUYNNGSSA-N 1 3 345.487 2.260 10 0 EEAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCN(C[C@@H]1CCCCO1)C1CC1 ZINC001443010081 1097425646 /nfs/dbraw/zinc/42/56/46/1097425646.db2.gz UQDVZEXKRYFKRX-WMZOPIPTSA-N 1 3 337.508 2.011 10 0 EEAEHO C[N@H+]1CCC[C@H]1CCC(=O)NCCN(C[C@@H]1CCCCO1)C1CC1 ZINC001443010081 1097425648 /nfs/dbraw/zinc/42/56/48/1097425648.db2.gz UQDVZEXKRYFKRX-WMZOPIPTSA-N 1 3 337.508 2.011 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H]1CCCCN1CC)[NH2+]Cc1ncccc1C ZINC001444047625 1098571328 /nfs/dbraw/zinc/57/13/28/1098571328.db2.gz WQKAQIQJONRLIS-WMZOPIPTSA-N 1 3 332.492 2.249 10 0 EEAEHO C[C@H]1CCCC[C@@]1(CNCc1ccns1)NC(=O)CC[NH+](C)C ZINC001444149180 1098690469 /nfs/dbraw/zinc/69/04/69/1098690469.db2.gz ASYBSOOYQQCZBI-YOEHRIQHSA-N 1 3 338.521 2.250 10 0 EEAEHO C[C@@H](NC[C@H](C)CNC(=O)CC[NH+](C)C)c1nc2ccccc2o1 ZINC001444394990 1098990407 /nfs/dbraw/zinc/99/04/07/1098990407.db2.gz ZVFDZCPMEODLOZ-UONOGXRCSA-N 1 3 332.448 2.182 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2ccn(CC)n2)C[C@H]1C ZINC001446417166 1100828016 /nfs/dbraw/zinc/82/80/16/1100828016.db2.gz JSUCKLFNEFHDLN-IAGOWNOFSA-N 1 3 349.523 2.104 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2ccn(CC)n2)C[C@H]1C ZINC001446417166 1100828023 /nfs/dbraw/zinc/82/80/23/1100828023.db2.gz JSUCKLFNEFHDLN-IAGOWNOFSA-N 1 3 349.523 2.104 10 0 EEAEHO 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CC[C@@H](C(=O)N1CC[C@H](CNCc2cc(C)no2)C1)[NH+](CC)CC ZINC001480664256 1106842626 /nfs/dbraw/zinc/84/26/26/1106842626.db2.gz XAJLIUSRFSPYOM-WBVHZDCISA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1cccc(OCC[N@@H+](C)C[C@H](C)NC(=O)CN2CC[C@H](C)C2)c1 ZINC001498380568 1107424738 /nfs/dbraw/zinc/42/47/38/1107424738.db2.gz INNNRWIOXXNHPH-ROUUACIJSA-N 1 3 347.503 2.152 10 0 EEAEHO Cc1cccc(OCC[N@H+](C)C[C@H](C)NC(=O)CN2CC[C@H](C)C2)c1 ZINC001498380568 1107424741 /nfs/dbraw/zinc/42/47/41/1107424741.db2.gz INNNRWIOXXNHPH-ROUUACIJSA-N 1 3 347.503 2.152 10 0 EEAEHO Cc1nc(CNC[C@@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)c(C)o1 ZINC001498490637 1107626538 /nfs/dbraw/zinc/62/65/38/1107626538.db2.gz ORZPFUZCRALYEK-HOTGVXAUSA-N 1 3 336.480 2.008 10 0 EEAEHO O=C(NCCN(CCOC1CCC1)C1CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001493429248 1108142544 /nfs/dbraw/zinc/14/25/44/1108142544.db2.gz HQJUTHLCXGVZEQ-IEBWSBKVSA-N 1 3 349.519 2.153 10 0 EEAEHO O=C(NCCN(CCOC1CCC1)C1CC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001493429248 1108142547 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C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000515220927 316471899 /nfs/dbraw/zinc/47/18/99/316471899.db2.gz IQFNHYKUMUXXKI-QFBILLFUSA-N 1 3 344.503 2.470 10 0 EEAEHO CCN(C)c1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000530248297 317704268 /nfs/dbraw/zinc/70/42/68/317704268.db2.gz IHCUIFJPGYAMTQ-GOSISDBHSA-N 1 3 332.492 2.128 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000541880585 318115282 /nfs/dbraw/zinc/11/52/82/318115282.db2.gz JCHUZLCHKWQLDZ-LJQANCHMSA-N 1 3 347.503 2.146 10 0 EEAEHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCN(C)c2ccncc2)C1 ZINC000542787527 318140542 /nfs/dbraw/zinc/14/05/42/318140542.db2.gz GHBDVSAMFBFNMI-IRXDYDNUSA-N 1 3 332.492 2.392 10 0 EEAEHO O=C(CCN1CCc2ccccc2C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000545308672 318215946 /nfs/dbraw/zinc/21/59/46/318215946.db2.gz ZSHIGJOWMCLUHV-IBGZPJMESA-N 1 3 327.472 2.132 10 0 EEAEHO CC1=CCN(CCNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000358659746 465247445 /nfs/dbraw/zinc/24/74/45/465247445.db2.gz 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O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171756913 463920172 /nfs/dbraw/zinc/92/01/72/463920172.db2.gz VARMMNQTNDRHOE-IEBWSBKVSA-N 1 3 345.462 2.344 10 0 EEAEHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000523359297 468390035 /nfs/dbraw/zinc/39/00/35/468390035.db2.gz ZESMQJIIHLWKHD-INIZCTEOSA-N 1 3 333.476 2.087 10 0 EEAEHO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000523359297 468390036 /nfs/dbraw/zinc/39/00/36/468390036.db2.gz ZESMQJIIHLWKHD-INIZCTEOSA-N 1 3 333.476 2.087 10 0 EEAEHO CCCn1nc(C)c(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000179515103 464150825 /nfs/dbraw/zinc/15/08/25/464150825.db2.gz XDRRZZJQGOUOKI-HNNXBMFYSA-N 1 3 336.524 2.435 10 0 EEAEHO C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000264476996 464342446 /nfs/dbraw/zinc/34/24/46/464342446.db2.gz HEPXQGNRBLFSHH-QGZVFWFLSA-N 1 3 345.487 2.327 10 0 EEAEHO C[C@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000174833064 464455761 /nfs/dbraw/zinc/45/57/61/464455761.db2.gz CXQJCLNLRCVSSQ-IEBWSBKVSA-N 1 3 342.487 2.163 10 0 EEAEHO C[C@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000174833064 464455769 /nfs/dbraw/zinc/45/57/69/464455769.db2.gz CXQJCLNLRCVSSQ-IEBWSBKVSA-N 1 3 342.487 2.163 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000245959287 464531101 /nfs/dbraw/zinc/53/11/01/464531101.db2.gz XVOFBQZEOFFMIA-AOIWGVFYSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000245959287 464531106 /nfs/dbraw/zinc/53/11/06/464531106.db2.gz XVOFBQZEOFFMIA-AOIWGVFYSA-N 1 3 344.503 2.385 10 0 EEAEHO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000247971917 464719782 /nfs/dbraw/zinc/71/97/82/464719782.db2.gz FUKRZGCXRYHZNX-ROUUACIJSA-N 1 3 332.492 2.413 10 0 EEAEHO C[C@@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCO1 ZINC000183090269 464794524 /nfs/dbraw/zinc/79/45/24/464794524.db2.gz GIVBWRNVLSVDSS-VQIMIIECSA-N 1 3 345.487 2.056 10 0 EEAEHO CCOC(=O)CC1([NH2+]CCCN2CCN(C(C)C)CC2)CCCC1 ZINC000337464874 465385128 /nfs/dbraw/zinc/38/51/28/465385128.db2.gz MFMAQYXDVMCXFF-UHFFFAOYSA-N 1 3 339.524 2.258 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc2)CC1 ZINC000356739736 465514312 /nfs/dbraw/zinc/51/43/12/465514312.db2.gz JWXWZOFPLDNHKP-QGZVFWFLSA-N 1 3 346.519 2.287 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc2)CC1 ZINC000356739736 465514316 /nfs/dbraw/zinc/51/43/16/465514316.db2.gz JWXWZOFPLDNHKP-QGZVFWFLSA-N 1 3 346.519 2.287 10 0 EEAEHO CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000344595779 465704948 /nfs/dbraw/zinc/70/49/48/465704948.db2.gz FFKYQLUPCWMMOB-GOSISDBHSA-N 1 3 347.503 2.477 10 0 EEAEHO Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000371341416 465730351 /nfs/dbraw/zinc/73/03/51/465730351.db2.gz OAZPUIKRHRNJJV-LSTHTHJFSA-N 1 3 349.494 2.125 10 0 EEAEHO Cc1cc(F)ccc1[C@H](O)C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000371341416 465730360 /nfs/dbraw/zinc/73/03/60/465730360.db2.gz OAZPUIKRHRNJJV-LSTHTHJFSA-N 1 3 349.494 2.125 10 0 EEAEHO C[NH+](C)CCCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000353820739 466175112 /nfs/dbraw/zinc/17/51/12/466175112.db2.gz ZFOHNUJLIMARSE-QGZVFWFLSA-N 1 3 335.467 2.496 10 0 EEAEHO C[C@H]1C[N@H+](CCOc2ccc(F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000372334304 466309828 /nfs/dbraw/zinc/30/98/28/466309828.db2.gz UWPTWFVKVZCRLT-QFBILLFUSA-N 1 3 335.467 2.162 10 0 EEAEHO C[C@H]1C[N@@H+](CCOc2ccc(F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000372334304 466309833 /nfs/dbraw/zinc/30/98/33/466309833.db2.gz UWPTWFVKVZCRLT-QFBILLFUSA-N 1 3 335.467 2.162 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[N@@H+]1C ZINC000340857548 466387804 /nfs/dbraw/zinc/38/78/04/466387804.db2.gz HLVKDGSMQFJYIZ-QRQLOZEOSA-N 1 3 346.519 2.283 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[N@H+]1C ZINC000340857548 466387814 /nfs/dbraw/zinc/38/78/14/466387814.db2.gz HLVKDGSMQFJYIZ-QRQLOZEOSA-N 1 3 346.519 2.283 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](CO)c2ccccc2)[C@@H](C)C1 ZINC000361967235 466445996 /nfs/dbraw/zinc/44/59/96/466445996.db2.gz JEILURRRXJVMAL-IHPCNDPISA-N 1 3 334.504 2.489 10 0 EEAEHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](CO)c2ccccc2)[C@@H](C)C1 ZINC000361967235 466446000 /nfs/dbraw/zinc/44/60/00/466446000.db2.gz JEILURRRXJVMAL-IHPCNDPISA-N 1 3 334.504 2.489 10 0 EEAEHO COC(=O)COc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367738050 466527449 /nfs/dbraw/zinc/52/74/49/466527449.db2.gz RBHDTJQJRAHMJQ-RCCFBDPRSA-N 1 3 332.444 2.201 10 0 EEAEHO COC(=O)COc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367738050 466527456 /nfs/dbraw/zinc/52/74/56/466527456.db2.gz RBHDTJQJRAHMJQ-RCCFBDPRSA-N 1 3 332.444 2.201 10 0 EEAEHO COC(=O)COc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c1 ZINC000367738050 466527466 /nfs/dbraw/zinc/52/74/66/466527466.db2.gz RBHDTJQJRAHMJQ-RCCFBDPRSA-N 1 3 332.444 2.201 10 0 EEAEHO C[C@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1cccc(OCCN(C)C)c1 ZINC000424323056 467029249 /nfs/dbraw/zinc/02/92/49/467029249.db2.gz KJKVKCMGZOXIKD-HOTGVXAUSA-N 1 3 333.476 2.146 10 0 EEAEHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418042252 467031728 /nfs/dbraw/zinc/03/17/28/467031728.db2.gz LMEMAZCYNBCMHK-VDZJLULYSA-N 1 3 330.476 2.172 10 0 EEAEHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccco1 ZINC000418173564 467065536 /nfs/dbraw/zinc/06/55/36/467065536.db2.gz YOQATUYSIVLLSK-CAOSSQGBSA-N 1 3 334.464 2.102 10 0 EEAEHO CN(Cc1ccc2c[nH]nc2c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377625613 467099076 /nfs/dbraw/zinc/09/90/76/467099076.db2.gz LDPXKHDFRGKAHS-GOSISDBHSA-N 1 3 327.476 2.163 10 0 EEAEHO CN(Cc1ccc2c[nH]nc2c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377625613 467099079 /nfs/dbraw/zinc/09/90/79/467099079.db2.gz LDPXKHDFRGKAHS-GOSISDBHSA-N 1 3 327.476 2.163 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000382768125 467379598 /nfs/dbraw/zinc/37/95/98/467379598.db2.gz YUMCZRSNWNNBBJ-NZSAHSFTSA-N 1 3 329.488 2.484 10 0 EEAEHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000414296896 467398933 /nfs/dbraw/zinc/39/89/33/467398933.db2.gz FSHYEZOIYKPKBA-IEBWSBKVSA-N 1 3 332.488 2.418 10 0 EEAEHO C[C@@H](CNC(=O)c1ccccc1CC[NH3+])N(C)Cc1ccccc1 ZINC000390774120 467411104 /nfs/dbraw/zinc/41/11/04/467411104.db2.gz LRTWKIUWYPRDDX-INIZCTEOSA-N 1 3 325.456 2.438 10 0 EEAEHO CCn1cncc1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397595035 467443784 /nfs/dbraw/zinc/44/37/84/467443784.db2.gz LGZAUIYBVREJSA-UHFFFAOYSA-N 1 3 328.460 2.020 10 0 EEAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)CN2CCOCC2)CC1 ZINC000449080964 467617146 /nfs/dbraw/zinc/61/71/46/467617146.db2.gz ARSUAFNBIHOSBT-RBUKOAKNSA-N 1 3 345.531 2.392 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458170218 467782258 /nfs/dbraw/zinc/78/22/58/467782258.db2.gz OSKFQFFMPCMALG-MRXNPFEDSA-N 1 3 333.476 2.089 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458170218 467782261 /nfs/dbraw/zinc/78/22/61/467782261.db2.gz OSKFQFFMPCMALG-MRXNPFEDSA-N 1 3 333.476 2.089 10 0 EEAEHO Cc1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)n(C2CCN(C)CC2)n1 ZINC000530710671 468003506 /nfs/dbraw/zinc/00/35/06/468003506.db2.gz SRDWPYWQGDCEQF-LSDHHAIUSA-N 1 3 348.495 2.062 10 0 EEAEHO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n(C2CCN(C)CC2)n1 ZINC000530710671 468003509 /nfs/dbraw/zinc/00/35/09/468003509.db2.gz SRDWPYWQGDCEQF-LSDHHAIUSA-N 1 3 348.495 2.062 10 0 EEAEHO CN(C)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)Cc1ccccc1 ZINC000570233757 468608758 /nfs/dbraw/zinc/60/87/58/468608758.db2.gz MKNQPFNQOREEHA-OKYOBFRVSA-N 1 3 329.488 2.196 10 0 EEAEHO CC(C)OC[C@@H](O)C[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000584715773 468919488 /nfs/dbraw/zinc/91/94/88/468919488.db2.gz BBDUDDBIPUJDGX-KRWDZBQOSA-N 1 3 336.476 2.035 10 0 EEAEHO CN1CC[C@H](NC(=O)NCCC2=CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000572499519 468942368 /nfs/dbraw/zinc/94/23/68/468942368.db2.gz FWLJCJYAMIRPLM-ZWKOTPCHSA-N 1 3 328.460 2.041 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)C3(C(F)(F)F)CC3)CC2)CC1 ZINC000586817824 469073882 /nfs/dbraw/zinc/07/38/82/469073882.db2.gz XYMJSENPUWHXFW-UHFFFAOYSA-N 1 3 333.398 2.004 10 0 EEAEHO CN1CCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000604106360 469458251 /nfs/dbraw/zinc/45/82/51/469458251.db2.gz LJJPTPHASWIVPN-ZWKOTPCHSA-N 1 3 330.476 2.044 10 0 EEAEHO CN1CCC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000604106360 469458255 /nfs/dbraw/zinc/45/82/55/469458255.db2.gz LJJPTPHASWIVPN-ZWKOTPCHSA-N 1 3 330.476 2.044 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cn(C)c2ccccc12 ZINC000617503794 469700708 /nfs/dbraw/zinc/70/07/08/469700708.db2.gz ZOXOTVJRSHIMRP-HNNXBMFYSA-N 1 3 330.476 2.180 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cn(C)c2ccccc12 ZINC000617503794 469700712 /nfs/dbraw/zinc/70/07/12/469700712.db2.gz ZOXOTVJRSHIMRP-HNNXBMFYSA-N 1 3 330.476 2.180 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000617506034 469703061 /nfs/dbraw/zinc/70/30/61/469703061.db2.gz YNVJULSQWMVRBE-AWEZNQCLSA-N 1 3 348.466 2.238 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000617506034 469703066 /nfs/dbraw/zinc/70/30/66/469703066.db2.gz YNVJULSQWMVRBE-AWEZNQCLSA-N 1 3 348.466 2.238 10 0 EEAEHO C[C@H]1CC[C@@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C[NH2+]1 ZINC000626938703 469762529 /nfs/dbraw/zinc/76/25/29/469762529.db2.gz JFKDIVVXLPINEL-MAUKXSAKSA-N 1 3 344.503 2.263 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000626994820 469781467 /nfs/dbraw/zinc/78/14/67/469781467.db2.gz KIETVAQPOMWMAM-WZGPROSRSA-N 1 3 344.503 2.479 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000627017085 469791416 /nfs/dbraw/zinc/79/14/16/469791416.db2.gz ZOYNBEGNMDKEJK-WDYCEAGBSA-N 1 3 330.476 2.091 10 0 EEAEHO CN1CCC[C@H](NC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000620825514 469929647 /nfs/dbraw/zinc/92/96/47/469929647.db2.gz LQARLLNZXDTHCK-MOPGFXCFSA-N 1 3 344.503 2.292 10 0 EEAEHO CN1CCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000620825514 469929650 /nfs/dbraw/zinc/92/96/50/469929650.db2.gz LQARLLNZXDTHCK-MOPGFXCFSA-N 1 3 344.503 2.292 10 0 EEAEHO O=C(NC1CCN(Cc2ccccc2)CC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634762840 470300799 /nfs/dbraw/zinc/30/07/99/470300799.db2.gz IAMAVMULVYSTCK-PXNSSMCTSA-N 1 3 327.472 2.157 10 0 EEAEHO CN(C)CCN(Cc1ccsc1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654664080 471120631 /nfs/dbraw/zinc/12/06/31/471120631.db2.gz PMWWAKZWMRMWTO-IYBDPMFKSA-N 1 3 338.521 2.162 10 0 EEAEHO O[C@]1(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000651944423 471180865 /nfs/dbraw/zinc/18/08/65/471180865.db2.gz VIBWGRJWXLVSHJ-UWHLTILDSA-N 1 3 344.499 2.418 10 0 EEAEHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3COC4(CCC4)C3)cc2)CC1 ZINC000657841814 471239849 /nfs/dbraw/zinc/23/98/49/471239849.db2.gz GVPMXMQXEFCRCW-IBGZPJMESA-N 1 3 329.488 2.235 10 0 EEAEHO CCc1cnc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000666208462 471316224 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O[C@@H]1CCN(C/C=C/C[N@@H+]2CC[C@@H](O)CC23CCC3)C2(CCC2)C1 ZINC000660835530 471507134 /nfs/dbraw/zinc/50/71/34/471507134.db2.gz LVKMFSOQNJTBIW-ZHEVZCJESA-N 1 3 334.504 2.301 10 0 EEAEHO O[C@@H]1CCN(C/C=C/C[N@H+]2CC[C@@H](O)CC23CCC3)C2(CCC2)C1 ZINC000660835530 471507141 /nfs/dbraw/zinc/50/71/41/471507141.db2.gz LVKMFSOQNJTBIW-ZHEVZCJESA-N 1 3 334.504 2.301 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)NC/C=C\C[NH3+])N(CC)CC)cc1 ZINC000669590912 471571156 /nfs/dbraw/zinc/57/11/56/471571156.db2.gz VUFRWOQBAQGKLI-ZEVQVBBLSA-N 1 3 332.492 2.446 10 0 EEAEHO Cc1csc([C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000663950170 471587254 /nfs/dbraw/zinc/58/72/54/471587254.db2.gz IGPJAYJQHDIRON-JSGCOSHPSA-N 1 3 341.525 2.084 10 0 EEAEHO Cc1csc([C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000663950170 471587258 /nfs/dbraw/zinc/58/72/58/471587258.db2.gz IGPJAYJQHDIRON-JSGCOSHPSA-N 1 3 341.525 2.084 10 0 EEAEHO O=C(C[C@H]1NCc2ccccc21)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659350585 471588698 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333.520 2.143 10 0 EEAEHO c1ccc(CCN2CCC([NH2+]CCCCN3CCOCC3)CC2)cc1 ZINC000158761540 534487578 /nfs/dbraw/zinc/48/75/78/534487578.db2.gz HWZCQQFNEVLJFJ-UHFFFAOYSA-N 1 3 345.531 2.396 10 0 EEAEHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CCN2CCc3ccccc3C2)C1 ZINC000416246122 529059492 /nfs/dbraw/zinc/05/94/92/529059492.db2.gz LUJVMVLJGKPBOD-LJQANCHMSA-N 1 3 329.488 2.376 10 0 EEAEHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CCN2CCc3ccccc3C2)C1 ZINC000416246122 529059495 /nfs/dbraw/zinc/05/94/95/529059495.db2.gz LUJVMVLJGKPBOD-LJQANCHMSA-N 1 3 329.488 2.376 10 0 EEAEHO CN1[C@@H]2CCC[C@H]1CC(NC(=S)NCC(C)(C)C[NH+](C)C)C2 ZINC000743004642 577878932 /nfs/dbraw/zinc/87/89/32/577878932.db2.gz HSCYKDCKUDZNJX-GOOCMWNKSA-N 1 3 326.554 2.054 10 0 EEAEHO Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)CN(C)C4CCC4)[C@@H]3C2)cc1 ZINC001485605946 1191860208 /nfs/dbraw/zinc/86/02/08/1191860208.db2.gz ZTDSNEXVUJVARS-OWZKRDHZSA-N 1 3 341.499 2.273 10 0 EEAEHO Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)CN(C)C4CCC4)[C@@H]3C2)cc1 ZINC001485605946 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2.111 10 0 EEAEHO CC(C)Oc1ccccc1CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485955643 1193648422 /nfs/dbraw/zinc/64/84/22/1193648422.db2.gz OGRMHSRJKGOJLM-SJLPKXTDSA-N 1 3 347.503 2.362 10 0 EEAEHO CC(C)Oc1ccccc1CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485955643 1193648424 /nfs/dbraw/zinc/64/84/24/1193648424.db2.gz OGRMHSRJKGOJLM-SJLPKXTDSA-N 1 3 347.503 2.362 10 0 EEAEHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)Cc1cc2ccccc2o1 ZINC001409651307 1190150923 /nfs/dbraw/zinc/15/09/23/1190150923.db2.gz SDVAQUXPVZZHRY-OAHLLOKOSA-N 1 3 341.455 2.465 10 0 EEAEHO C[C@@H]1[C@H]([NH2+]CCCOc2ccccc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001486088366 1193678002 /nfs/dbraw/zinc/67/80/02/1193678002.db2.gz HFZRDTZWEHRJJM-CRAIPNDOSA-N 1 3 342.443 2.000 10 0 EEAEHO CC[C@@H](F)CN1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001483845053 1191080426 /nfs/dbraw/zinc/08/04/26/1191080426.db2.gz FTFINJYCZZOARI-NVXWUHKLSA-N 1 3 325.472 2.001 10 0 EEAEHO CN(CC(=O)N1CCO[C@H](C[NH2+]CCCC(C)(C)C)C1)C1CCC1 ZINC001484680948 1191464984 /nfs/dbraw/zinc/46/49/84/1191464984.db2.gz RKJXUPWKPIFFOB-QGZVFWFLSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCCCC[N@@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001484728017 1191487579 /nfs/dbraw/zinc/48/75/79/1191487579.db2.gz XPESGAVQOJBLPQ-MRXNPFEDSA-N 1 3 336.480 2.048 10 0 EEAEHO COCCCCC[N@H+]1CCC[C@@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001484728017 1191487580 /nfs/dbraw/zinc/48/75/80/1191487580.db2.gz XPESGAVQOJBLPQ-MRXNPFEDSA-N 1 3 336.480 2.048 10 0 EEAEHO Cc1nc(C)c(CN2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C)s1 ZINC001484976996 1191596613 /nfs/dbraw/zinc/59/66/13/1191596613.db2.gz OWPUXXAJZSBOAM-IUODEOHRSA-N 1 3 338.521 2.181 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)CC[C@@H]2CCCCO2)CC1 ZINC001410254662 1197639585 /nfs/dbraw/zinc/63/95/85/1197639585.db2.gz BXJVXOHKDJVLBA-SFHVURJKSA-N 1 3 339.524 2.209 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)CC[C@@H]2CCCCO2)CC1 ZINC001410254662 1197639586 /nfs/dbraw/zinc/63/95/86/1197639586.db2.gz BXJVXOHKDJVLBA-SFHVURJKSA-N 1 3 339.524 2.209 10 0 EEAEHO CN(C)Cc1cccc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000871674158 1197825798 /nfs/dbraw/zinc/82/57/98/1197825798.db2.gz SQZQULAFZCTEDE-TZMCWYRMSA-N 1 3 344.381 2.349 10 0 EEAEHO COc1ccccc1[C@@H]1CSCCCN1CCN1CC[NH2+]CC1 ZINC000872157642 1198061603 /nfs/dbraw/zinc/06/16/03/1198061603.db2.gz PAXFNOVRKQCOLU-KRWDZBQOSA-N 1 3 335.517 2.080 10 0 EEAEHO C[C@H](NC/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1cccc(F)c1 ZINC001274368594 1205011745 /nfs/dbraw/zinc/01/17/45/1205011745.db2.gz MXALEWXFNZCMNI-WNEUIUNWSA-N 1 3 333.451 2.491 10 0 EEAEHO C[C@H](NC/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1cccc(F)c1 ZINC001274368594 1205011748 /nfs/dbraw/zinc/01/17/48/1205011748.db2.gz MXALEWXFNZCMNI-WNEUIUNWSA-N 1 3 333.451 2.491 10 0 EEAEHO C[C@H]([NH2+]C/C=C/CNC(=O)CN1CC[C@@H](C)C1)c1cccc(F)c1 ZINC001274368594 1205011751 /nfs/dbraw/zinc/01/17/51/1205011751.db2.gz MXALEWXFNZCMNI-WNEUIUNWSA-N 1 3 333.451 2.491 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCCN2C)s1 ZINC001276179908 1205819314 /nfs/dbraw/zinc/81/93/14/1205819314.db2.gz PAURVFLJDPNRBR-HNNXBMFYSA-N 1 3 338.521 2.182 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000925327438 1206097913 /nfs/dbraw/zinc/09/79/13/1206097913.db2.gz QJBSKKZBCUHZTB-QRQLOZEOSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000925327438 1206097916 /nfs/dbraw/zinc/09/79/16/1206097916.db2.gz QJBSKKZBCUHZTB-QRQLOZEOSA-N 1 3 344.503 2.385 10 0 EEAEHO Cn1cc(N2CCC[C@H](N[C@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cn1 ZINC000925520962 1206122372 /nfs/dbraw/zinc/12/23/72/1206122372.db2.gz YXYPPFLGDDNUFN-WDSOQIARSA-N 1 3 331.508 2.147 10 0 EEAEHO Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCNC[C@H]3C3CCCC3)C2)cn1 ZINC000925520962 1206122373 /nfs/dbraw/zinc/12/23/73/1206122373.db2.gz YXYPPFLGDDNUFN-WDSOQIARSA-N 1 3 331.508 2.147 10 0 EEAEHO Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925581154 1206131803 /nfs/dbraw/zinc/13/18/03/1206131803.db2.gz PZEPGBLZZISRFL-IRXDYDNUSA-N 1 3 333.476 2.466 10 0 EEAEHO Cc1nc2c(s1)[C@@H](NC[C@@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCC2 ZINC000925851527 1206161025 /nfs/dbraw/zinc/16/10/25/1206161025.db2.gz FYFDXFGXPUVEIG-STQMWFEESA-N 1 3 335.473 2.104 10 0 EEAEHO COC1(OC)CC[C@@H]1NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000926376563 1206217086 /nfs/dbraw/zinc/21/70/86/1206217086.db2.gz CZQKFVYSHVJPKW-SFHVURJKSA-N 1 3 334.460 2.401 10 0 EEAEHO CCN(C)C(=O)CCN1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001413053011 1223019083 /nfs/dbraw/zinc/01/90/83/1223019083.db2.gz NUVKWCSZTXCRLG-AZUAARDMSA-N 1 3 329.488 2.309 10 0 EEAEHO CCN(C)C(=O)CCN1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001413053011 1223019087 /nfs/dbraw/zinc/01/90/87/1223019087.db2.gz NUVKWCSZTXCRLG-AZUAARDMSA-N 1 3 329.488 2.309 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCCc3ccsc3)C2)CCC1 ZINC001491026506 1258593948 /nfs/dbraw/zinc/59/39/48/1258593948.db2.gz ZELFFLHCTDJEBE-IYBDPMFKSA-N 1 3 335.517 2.402 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+]CCCc2cccc(C)c2)C1 ZINC001491075915 1258641171 /nfs/dbraw/zinc/64/11/71/1258641171.db2.gz TZQKREPHLUYSII-HDICACEKSA-N 1 3 340.471 2.439 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC001491073881 1258648431 /nfs/dbraw/zinc/64/84/31/1258648431.db2.gz XHFVRIUHNQQDNE-OKILXGFUSA-N 1 3 325.403 2.043 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]CCc2cccs2)C1 ZINC001491188903 1258754666 /nfs/dbraw/zinc/75/46/66/1258754666.db2.gz YAEOLBTVEURKNY-INIZCTEOSA-N 1 3 337.533 2.461 10 0 EEAEHO Cc1ncccc1C[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001267893706 1276786584 /nfs/dbraw/zinc/78/65/84/1276786584.db2.gz PHUFPNCBDAZTSB-INIZCTEOSA-N 1 3 341.459 2.074 10 0 EEAEHO CCN(CC[NH2+]C[C@@H]1CCCOC1)C(=O)c1cccc(CN(C)C)c1 ZINC001273765258 1285116687 /nfs/dbraw/zinc/11/66/87/1285116687.db2.gz MKHJWECNQASZOJ-SFHVURJKSA-N 1 3 347.503 2.227 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c(C)noc2C)C1 ZINC001488961549 1290289293 /nfs/dbraw/zinc/28/92/93/1290289293.db2.gz JKKYFELSBAOELZ-JKSUJKDBSA-N 1 3 336.480 2.008 10 0 EEAEHO CC[C@@H](C(=O)N(C)C1CC[NH+](CCCOC(C)C)CC1)N(C)C ZINC001490422506 1291333401 /nfs/dbraw/zinc/33/34/01/1291333401.db2.gz RMAHBMNYWUATNV-KRWDZBQOSA-N 1 3 327.513 2.065 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](NCc2cc3ccccc3o2)C2CC2)C1 ZINC001490735932 1291645605 /nfs/dbraw/zinc/64/56/05/1291645605.db2.gz OXXKCFXSNGBWIB-FUHWJXTLSA-N 1 3 341.455 2.369 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](NCc2cc3ccccc3o2)C2CC2)C1 ZINC001490735932 1291645612 /nfs/dbraw/zinc/64/56/12/1291645612.db2.gz OXXKCFXSNGBWIB-FUHWJXTLSA-N 1 3 341.455 2.369 10 0 EEAEHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCn3ccnc3)C2)ccn1 ZINC000856604381 1293580443 /nfs/dbraw/zinc/58/04/43/1293580443.db2.gz WDOWTDNLLCYCGW-IBGZPJMESA-N 1 3 343.475 2.272 10 0 EEAEHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCn3ccnc3)C2)ccn1 ZINC000856604381 1293580449 /nfs/dbraw/zinc/58/04/49/1293580449.db2.gz WDOWTDNLLCYCGW-IBGZPJMESA-N 1 3 343.475 2.272 10 0 EEAEHO CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@@H](C[NH2+]CCCF)C1CC1 ZINC001277696385 1304205531 /nfs/dbraw/zinc/20/55/31/1304205531.db2.gz WVHBCBKGFWSTNH-MAUKXSAKSA-N 1 3 345.478 2.385 10 0 EEAEHO C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)NCc1cccnc1 ZINC001491561564 1304829005 /nfs/dbraw/zinc/82/90/05/1304829005.db2.gz YWRBOJPVEHDLLF-QFBILLFUSA-N 1 3 344.503 2.473 10 0 EEAEHO C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)NCc1cccnc1 ZINC001491561564 1304829016 /nfs/dbraw/zinc/82/90/16/1304829016.db2.gz YWRBOJPVEHDLLF-QFBILLFUSA-N 1 3 344.503 2.473 10 0 EEAEHO C[NH+](C)CCCC(=O)N1CCC[C@H]1CNCc1cccc(Cl)n1 ZINC001277925324 1305124333 /nfs/dbraw/zinc/12/43/33/1305124333.db2.gz ZMXZQIRXLBQLNT-HNNXBMFYSA-N 1 3 338.883 2.157 10 0 EEAEHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CNCC=C(Cl)Cl)C1 ZINC001277942215 1305212401 /nfs/dbraw/zinc/21/24/01/1305212401.db2.gz WDJVEGRREROEKT-OLZOCXBDSA-N 1 3 334.291 2.228 10 0 EEAEHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNCC=C(Cl)Cl)C1 ZINC001277942215 1305212406 /nfs/dbraw/zinc/21/24/06/1305212406.db2.gz WDJVEGRREROEKT-OLZOCXBDSA-N 1 3 334.291 2.228 10 0 EEAEHO O[C@@H](C[NH2+]C[C@H](O)CN1CCCCC1)c1ccc(Cl)cc1Cl ZINC000843063232 1315832916 /nfs/dbraw/zinc/83/29/16/1315832916.db2.gz XTLFIOLMAXFHCI-BBRMVZONSA-N 1 3 347.286 2.463 10 0 EEAEHO CCCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C(F)(F)F ZINC001278705832 1317805525 /nfs/dbraw/zinc/80/55/25/1317805525.db2.gz ZOQHEYQKVSJPJS-UONOGXRCSA-N 1 3 349.441 2.497 10 0 EEAEHO CCCCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001265386752 1323114019 /nfs/dbraw/zinc/11/40/19/1323114019.db2.gz MEDQVUJGHTZQGC-ZWKOTPCHSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCCOCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001265386752 1323114026 /nfs/dbraw/zinc/11/40/26/1323114026.db2.gz MEDQVUJGHTZQGC-ZWKOTPCHSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C3CCC3)C2)cc1 ZINC001265543143 1323213381 /nfs/dbraw/zinc/21/33/81/1323213381.db2.gz DLFNDKUJYKDMBB-CALCHBBNSA-N 1 3 345.487 2.095 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cncs1 ZINC001266203684 1323767740 /nfs/dbraw/zinc/76/77/40/1323767740.db2.gz HYXCFQYGEOECOW-GOEBONIOSA-N 1 3 336.505 2.098 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@H+]1Cc1cncs1 ZINC001266203684 1323767744 /nfs/dbraw/zinc/76/77/44/1323767744.db2.gz HYXCFQYGEOECOW-GOEBONIOSA-N 1 3 336.505 2.098 10 0 EEAEHO CC(C)OCC[N@H+]1CC=C(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001279637232 1323968300 /nfs/dbraw/zinc/96/83/00/1323968300.db2.gz VGOBTVJKOAWPMF-UHFFFAOYSA-N 1 3 339.524 2.138 10 0 EEAEHO CC(C)OCC[N@@H+]1CC=C(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001279637232 1323968304 /nfs/dbraw/zinc/96/83/04/1323968304.db2.gz VGOBTVJKOAWPMF-UHFFFAOYSA-N 1 3 339.524 2.138 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCCCOC ZINC001281968439 1325541948 /nfs/dbraw/zinc/54/19/48/1325541948.db2.gz NCHMGWCAILAOCR-QZTJIDSGSA-N 1 3 339.524 2.210 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCCCOC ZINC001281968439 1325541951 /nfs/dbraw/zinc/54/19/51/1325541951.db2.gz NCHMGWCAILAOCR-QZTJIDSGSA-N 1 3 339.524 2.210 10 0 EEAEHO CCc1nc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCCN2C)o1 ZINC001283147759 1325934953 /nfs/dbraw/zinc/93/49/53/1325934953.db2.gz XLRKDLQFBGUYMS-HIFRSBDPSA-N 1 3 336.480 2.014 10 0 EEAEHO Cc1ncoc1C[NH2+]CCC[C@@H](C)NC(=O)CN1CCC(C)CC1 ZINC001283259183 1325976041 /nfs/dbraw/zinc/97/60/41/1325976041.db2.gz FNWWHTXOMCQDCR-OAHLLOKOSA-N 1 3 336.480 2.089 10 0 EEAEHO CC(C)=CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C(F)(F)F ZINC001284375932 1326527433 /nfs/dbraw/zinc/52/74/33/1326527433.db2.gz VDJARKZBHJDYSB-JSGCOSHPSA-N 1 3 344.381 2.145 10 0 EEAEHO C[N@H+](CCCF)[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001491951541 1330343270 /nfs/dbraw/zinc/34/32/70/1330343270.db2.gz IXOIDXASPQIVPQ-MAUKXSAKSA-N 1 3 345.478 2.481 10 0 EEAEHO C[N@@H+](CCCF)[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001491951541 1330343274 /nfs/dbraw/zinc/34/32/74/1330343274.db2.gz IXOIDXASPQIVPQ-MAUKXSAKSA-N 1 3 345.478 2.481 10 0 EEAEHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC001492177502 1331056154 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AASAEWHEDIUWPQ-FUHWJXTLSA-N 1 3 332.492 2.139 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC001445550337 1091321086 /nfs/dbraw/zinc/32/10/86/1091321086.db2.gz YHANSNOJEXGRCJ-AFAVFJNCSA-N 1 3 339.430 2.289 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2cc(F)cc(F)c2)CC[N@H+]1C ZINC001445550337 1091321093 /nfs/dbraw/zinc/32/10/93/1091321093.db2.gz YHANSNOJEXGRCJ-AFAVFJNCSA-N 1 3 339.430 2.289 10 0 EEAEHO Cc1ccc(OCCN(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001439330329 1092017789 /nfs/dbraw/zinc/01/77/89/1092017789.db2.gz YLYHBDUIAAJDHB-ZHALLVOQSA-N 1 3 347.503 2.151 10 0 EEAEHO Cc1ccc(OCCN(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001439330329 1092017798 /nfs/dbraw/zinc/01/77/98/1092017798.db2.gz YLYHBDUIAAJDHB-ZHALLVOQSA-N 1 3 347.503 2.151 10 0 EEAEHO C[C@H](CN(C)CCOc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439351417 1092062995 /nfs/dbraw/zinc/06/29/95/1092062995.db2.gz FHFNIQYIXVYXGW-QGZVFWFLSA-N 1 3 347.503 2.376 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001439487938 1092302675 /nfs/dbraw/zinc/30/26/75/1092302675.db2.gz IVGPNYLRRFACSZ-DOMZBBRYSA-N 1 3 340.418 2.180 10 0 EEAEHO Cc1cncc(CNC2(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC001439624680 1092537251 /nfs/dbraw/zinc/53/72/51/1092537251.db2.gz YTXCUJWZUQROIW-KRWDZBQOSA-N 1 3 330.476 2.003 10 0 EEAEHO Cc1cncc(CNC2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC001439624680 1092537266 /nfs/dbraw/zinc/53/72/66/1092537266.db2.gz YTXCUJWZUQROIW-KRWDZBQOSA-N 1 3 330.476 2.003 10 0 EEAEHO CC1(CNC(=O)C23CC[NH+](CC2)C3)CCN(C/C=C\Cl)CC1 ZINC001439925996 1093005242 /nfs/dbraw/zinc/00/52/42/1093005242.db2.gz QQFDXPFCPPBKJE-UQCOIBPSSA-N 1 3 325.884 2.053 10 0 EEAEHO CC[C@H](F)CN1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001440152380 1093212970 /nfs/dbraw/zinc/21/29/70/1093212970.db2.gz UTWRRGGRJJVCSU-BBWFWOEESA-N 1 3 325.472 2.001 10 0 EEAEHO Cc1ccccc1OCCN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001440493935 1093732291 /nfs/dbraw/zinc/73/22/91/1093732291.db2.gz BSOGQZFCTTWEMV-MSOLQXFVSA-N 1 3 347.503 2.295 10 0 EEAEHO Cc1nc(C(C)C)ccc1CN[C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001448712631 1093784819 /nfs/dbraw/zinc/78/48/19/1093784819.db2.gz DSHVNNGZCGUZNG-OAHLLOKOSA-N 1 3 334.508 2.402 10 0 EEAEHO CC[C@H](C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN(C)C(C)C)OC ZINC001440718621 1093961122 /nfs/dbraw/zinc/96/11/22/1093961122.db2.gz DILWGAYKQZRGMZ-YVWKXTFCSA-N 1 3 347.503 2.123 10 0 EEAEHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)CCc1ccccc1F ZINC001440923094 1094176892 /nfs/dbraw/zinc/17/68/92/1094176892.db2.gz IEQZSCSEBFCOLY-MAUKXSAKSA-N 1 3 347.478 2.147 10 0 EEAEHO Cc1cccc(CN(C)[C@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001440924080 1094177771 /nfs/dbraw/zinc/17/77/71/1094177771.db2.gz JRLYLYHNUAPMKP-APWZRJJASA-N 1 3 329.488 2.273 10 0 EEAEHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)on1 ZINC001441362978 1094883968 /nfs/dbraw/zinc/88/39/68/1094883968.db2.gz BAVOQQZOXAMIHK-BQFCYCMXSA-N 1 3 348.491 2.088 10 0 EEAEHO Cc1ncc(C[NH2+][C@H](C)CNC(=O)c2sccc2CN(C)C)o1 ZINC001441874354 1095993600 /nfs/dbraw/zinc/99/36/00/1095993600.db2.gz RVHLTFBTFFRWFQ-LLVKDONJSA-N 1 3 336.461 2.014 10 0 EEAEHO Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001441949195 1096150622 /nfs/dbraw/zinc/15/06/22/1096150622.db2.gz KTSVTYROKGTZFC-JKSUJKDBSA-N 1 3 346.519 2.450 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001442157831 1096413303 /nfs/dbraw/zinc/41/33/03/1096413303.db2.gz VKJUNQMEHRWXOZ-HNNXBMFYSA-N 1 3 339.430 2.243 10 0 EEAEHO CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC(NCc2ccccn2)C1 ZINC001442232266 1096531070 /nfs/dbraw/zinc/53/10/70/1096531070.db2.gz KETGNDQEHBOXCJ-ADKAHSJRSA-N 1 3 330.476 2.035 10 0 EEAEHO CN(C(=O)CC[C@@H]1CCC[N@H+]1C)C1CC(NCc2ccccn2)C1 ZINC001442232266 1096531074 /nfs/dbraw/zinc/53/10/74/1096531074.db2.gz KETGNDQEHBOXCJ-ADKAHSJRSA-N 1 3 330.476 2.035 10 0 EEAEHO Cc1nn(C(C)C)cc1C[NH2+][C@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001442293152 1096608673 /nfs/dbraw/zinc/60/86/73/1096608673.db2.gz ITYITKCVRCCOJR-HZPDHXFCSA-N 1 3 349.523 2.099 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCCN(CC)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001442650207 1097018237 /nfs/dbraw/zinc/01/82/37/1097018237.db2.gz HRFUCDCACXWMPA-ZWKOTPCHSA-N 1 3 335.467 2.494 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCCN(CC)Cc2ccc(F)cc2)CC[N@H+]1C ZINC001442650207 1097018243 /nfs/dbraw/zinc/01/82/43/1097018243.db2.gz HRFUCDCACXWMPA-ZWKOTPCHSA-N 1 3 335.467 2.494 10 0 EEAEHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2cc(C)ccc2F)C1)N(C)C ZINC001442860744 1097253595 /nfs/dbraw/zinc/25/35/95/1097253595.db2.gz GEQMIVRIWIKRJF-CRAIPNDOSA-N 1 3 335.467 2.412 10 0 EEAEHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2cc(C)ccc2F)C1)N(C)C ZINC001442860744 1097253606 /nfs/dbraw/zinc/25/36/06/1097253606.db2.gz GEQMIVRIWIKRJF-CRAIPNDOSA-N 1 3 335.467 2.412 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)NCc1ccc(F)cn1 ZINC001443937028 1098456514 /nfs/dbraw/zinc/45/65/14/1098456514.db2.gz WFZBUUNXDMTWBZ-WBVHZDCISA-N 1 3 336.455 2.080 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)NCc1ccc(F)cn1 ZINC001443937028 1098456520 /nfs/dbraw/zinc/45/65/20/1098456520.db2.gz WFZBUUNXDMTWBZ-WBVHZDCISA-N 1 3 336.455 2.080 10 0 EEAEHO CO[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)N2CCCC2)C1 ZINC001479691272 1098753840 /nfs/dbraw/zinc/75/38/40/1098753840.db2.gz XUZKMUXMNTZWEI-DLBZAZTESA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1nc(C(C)C)ccc1CN(C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001479812016 1099071093 /nfs/dbraw/zinc/07/10/93/1099071093.db2.gz FCKGITPLEUWCMW-GOSISDBHSA-N 1 3 346.519 2.403 10 0 EEAEHO Cc1nc(C(C)C)ccc1CN(C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001479812016 1099071104 /nfs/dbraw/zinc/07/11/04/1099071104.db2.gz FCKGITPLEUWCMW-GOSISDBHSA-N 1 3 346.519 2.403 10 0 EEAEHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCN(Cc1cccnc1)C1CC1 ZINC001479880969 1099250692 /nfs/dbraw/zinc/25/06/92/1099250692.db2.gz NOFFXWBMBUNULO-IAGOWNOFSA-N 1 3 344.503 2.425 10 0 EEAEHO CCOCCC[NH+]1CCC(N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC001479893571 1099270417 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/nfs/dbraw/zinc/24/41/22/1103244122.db2.gz MXMYKBFKHXMRTB-MRXNPFEDSA-N 1 3 347.503 2.472 10 0 EEAEHO Cc1cc(CN2CC[C@H](CCNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)on1 ZINC001494017527 1103352037 /nfs/dbraw/zinc/35/20/37/1103352037.db2.gz BQCROUOYUARUNP-WMZOPIPTSA-N 1 3 348.491 2.184 10 0 EEAEHO Cc1cc(CN2CC[C@H](CCNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)on1 ZINC001494017527 1103352050 /nfs/dbraw/zinc/35/20/50/1103352050.db2.gz BQCROUOYUARUNP-WMZOPIPTSA-N 1 3 348.491 2.184 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001447929666 1103622482 /nfs/dbraw/zinc/62/24/82/1103622482.db2.gz IIIVTTPWTBNHHB-GJZGRUSLSA-N 1 3 330.476 2.491 10 0 EEAEHO CO[C@@H](C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCC1)C1CCC1 ZINC001448073258 1103941747 /nfs/dbraw/zinc/94/17/47/1103941747.db2.gz ZKICRZZIVGKTCJ-RDJZCZTQSA-N 1 3 339.524 2.112 10 0 EEAEHO CO[C@@H](C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCC1)C1CCC1 ZINC001448073258 1103941754 /nfs/dbraw/zinc/94/17/54/1103941754.db2.gz ZKICRZZIVGKTCJ-RDJZCZTQSA-N 1 3 339.524 2.112 10 0 EEAEHO C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@H]1CCCC(F)(F)C1 ZINC001494667453 1104253914 /nfs/dbraw/zinc/25/39/14/1104253914.db2.gz HXMXANZJVPUNAK-KKUMJFAQSA-N 1 3 329.435 2.049 10 0 EEAEHO CCc1nocc1CN1CCCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001448261579 1104270457 /nfs/dbraw/zinc/27/04/57/1104270457.db2.gz QVOJSWFWEPOJBX-KRWDZBQOSA-N 1 3 348.491 2.194 10 0 EEAEHO Cc1cccc(C[NH+]2CC([C@H](C)NC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001448315127 1104372907 /nfs/dbraw/zinc/37/29/07/1104372907.db2.gz FCBNMEYONUQJMP-SJORKVTESA-N 1 3 329.488 2.273 10 0 EEAEHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1sccc1Cl ZINC001495092730 1104731310 /nfs/dbraw/zinc/73/13/10/1104731310.db2.gz ABUKUUAKNCCJEZ-LBPRGKRZSA-N 1 3 341.908 2.482 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1cccc2cccnc21 ZINC001480596764 1106734857 /nfs/dbraw/zinc/73/48/57/1106734857.db2.gz LYQLJKPAEIHBQP-OAHLLOKOSA-N 1 3 328.460 2.169 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001480664573 1106844551 /nfs/dbraw/zinc/84/45/51/1106844551.db2.gz BHKKPMKXWQYDSK-HAURFUKOSA-N 1 3 329.488 2.478 10 0 EEAEHO COc1ccc(C)cc1CNC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001498086996 1106905415 /nfs/dbraw/zinc/90/54/15/1106905415.db2.gz MXMYKBFKHXMRTB-INIZCTEOSA-N 1 3 347.503 2.472 10 0 EEAEHO Cc1ccc(F)cc1CN(C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001498286616 1107216924 /nfs/dbraw/zinc/21/69/24/1107216924.db2.gz BCXFEHQPLJWTGL-HDMKZQKVSA-N 1 3 335.467 2.411 10 0 EEAEHO Cc1ccc(F)cc1CN(C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001498286616 1107216931 /nfs/dbraw/zinc/21/69/31/1107216931.db2.gz BCXFEHQPLJWTGL-HDMKZQKVSA-N 1 3 335.467 2.411 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCc1ccccc1F ZINC001493806363 1108686999 /nfs/dbraw/zinc/68/69/99/1108686999.db2.gz HTALLWITHGQTTB-SFHVURJKSA-N 1 3 335.467 2.291 10 0 EEAEHO COCC[NH2+][C@@H](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001493849786 1108733658 /nfs/dbraw/zinc/73/36/58/1108733658.db2.gz KGHBFKGZKAVZDI-INIZCTEOSA-N 1 3 347.503 2.225 10 0 EEAEHO C[NH+](C)CCCC(=O)N1CCC[C@@H]1CNCc1ccc(Cl)nc1 ZINC001499920196 1112540988 /nfs/dbraw/zinc/54/09/88/1112540988.db2.gz AVAFOZXHSAXBKP-OAHLLOKOSA-N 1 3 338.883 2.157 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C)nc2C)C1 ZINC001501641270 1113411499 /nfs/dbraw/zinc/41/14/99/1113411499.db2.gz UFSHKDNAPZNWJD-SFHVURJKSA-N 1 3 346.519 2.368 10 0 EEAEHO COCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001501704099 1113442289 /nfs/dbraw/zinc/44/22/89/1113442289.db2.gz CCLRWIXMRITEIH-QAQDUYKDSA-N 1 3 339.524 2.162 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CCOc2ccccc2)[C@H](C)C1 ZINC001503024405 1113873660 /nfs/dbraw/zinc/87/36/60/1113873660.db2.gz XRPCBQLMPWXXBL-QZTJIDSGSA-N 1 3 347.503 2.375 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCOc2ccccc2)[C@H](C)C1 ZINC001503024405 1113873666 /nfs/dbraw/zinc/87/36/66/1113873666.db2.gz XRPCBQLMPWXXBL-QZTJIDSGSA-N 1 3 347.503 2.375 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC2(C[NH2+]C/C=C/Cl)CCCCC2)C1 ZINC001506518175 1114667657 /nfs/dbraw/zinc/66/76/57/1114667657.db2.gz HDDZPBDDOHGLAW-FUVBFXSKSA-N 1 3 327.900 2.489 10 0 EEAEHO CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NC/C(Cl)=C/Cl ZINC001506992875 1115038013 /nfs/dbraw/zinc/03/80/13/1115038013.db2.gz URAQOTZJQLUVHK-DOOVCASASA-N 1 3 336.307 2.378 10 0 EEAEHO CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NC/C(Cl)=C/Cl ZINC001506992875 1115038015 /nfs/dbraw/zinc/03/80/15/1115038015.db2.gz URAQOTZJQLUVHK-DOOVCASASA-N 1 3 336.307 2.378 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2cncc(F)c2)[C@H]1C ZINC001507292513 1115177511 /nfs/dbraw/zinc/17/75/11/1115177511.db2.gz KMXBOAUTUHJQLD-RHSMWYFYSA-N 1 3 336.455 2.032 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2cncc(F)c2)[C@H]1C ZINC001507292513 1115177513 /nfs/dbraw/zinc/17/75/13/1115177513.db2.gz KMXBOAUTUHJQLD-RHSMWYFYSA-N 1 3 336.455 2.032 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)nc2C)C(C)(C)C1 ZINC001507451319 1115276675 /nfs/dbraw/zinc/27/66/75/1115276675.db2.gz OZKZGFKRFMJLHN-GOSISDBHSA-N 1 3 346.519 2.367 10 0 EEAEHO CC[C@@H](C[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)CC1)OC ZINC001508065031 1115408951 /nfs/dbraw/zinc/40/89/51/1115408951.db2.gz OOSFFYTWGHTAMX-BPQIPLTHSA-N 1 3 341.540 2.214 10 0 EEAEHO Cc1oncc1C[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001568060465 1124265399 /nfs/dbraw/zinc/26/53/99/1124265399.db2.gz MRQRJXABMMNJDZ-INIZCTEOSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncoc1CNCC[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001568068525 1124274437 /nfs/dbraw/zinc/27/44/37/1124274437.db2.gz YPHMVKMMXGAYHS-WBVHZDCISA-N 1 3 348.491 2.043 10 0 EEAEHO Cc1ncoc1CNCC[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001568068525 1124274442 /nfs/dbraw/zinc/27/44/42/1124274442.db2.gz YPHMVKMMXGAYHS-WBVHZDCISA-N 1 3 348.491 2.043 10 0 EEAEHO C[C@@H](CCNCc1cccc(F)c1Cl)NC(=O)CC[NH+](C)C ZINC001568672081 1124686303 /nfs/dbraw/zinc/68/63/03/1124686303.db2.gz FTQRDNKEBGTUFZ-LBPRGKRZSA-N 1 3 329.847 2.415 10 0 EEAEHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccc2nsnc21)N(C)C ZINC001568698376 1124712721 /nfs/dbraw/zinc/71/27/21/1124712721.db2.gz CSUZVZZQYZVBDE-DOMZBBRYSA-N 1 3 349.504 2.016 10 0 EEAEHO COc1cccc(C[NH2+]CCCN(C)C(=O)CN2CCC(C)CC2)c1 ZINC001569252209 1125196094 /nfs/dbraw/zinc/19/60/94/1125196094.db2.gz YHZOFJMBMNNVHJ-UHFFFAOYSA-N 1 3 347.503 2.365 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2CCC(C[NH+](C)C)CC2)[C@@H]1c1ccccc1 ZINC000372267572 282081267 /nfs/dbraw/zinc/08/12/67/282081267.db2.gz SBFGVAXPGSFJRS-MOPGFXCFSA-N 1 3 344.503 2.415 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066187339 282116060 /nfs/dbraw/zinc/11/60/60/282116060.db2.gz XFYMRNKFUGIAQZ-RTBURBONSA-N 1 3 344.503 2.039 10 0 EEAEHO CC(C)CN1CCN([C@H](C[NH3+])c2ccc(Br)o2)CC1 ZINC000055078583 214270961 /nfs/dbraw/zinc/27/09/61/214270961.db2.gz SRIOIOOKKRMNCZ-GFCCVEGCSA-N 1 3 330.270 2.316 10 0 EEAEHO C[N@H+](CCCCNC(=O)Nc1ccc2c(c1F)CCNC2)C1CC1 ZINC000415973786 529883568 /nfs/dbraw/zinc/88/35/68/529883568.db2.gz NMGWCADQUGMPLB-UHFFFAOYSA-N 1 3 334.439 2.467 10 0 EEAEHO C[N@@H+](CCCCNC(=O)Nc1ccc2c(c1F)CCNC2)C1CC1 ZINC000415973786 529883571 /nfs/dbraw/zinc/88/35/71/529883571.db2.gz NMGWCADQUGMPLB-UHFFFAOYSA-N 1 3 334.439 2.467 10 0 EEAEHO C[C@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)c1cc2n(n1)CCC2 ZINC000414094572 299282897 /nfs/dbraw/zinc/28/28/97/299282897.db2.gz GJVIZNMISGPNON-KRWDZBQOSA-N 1 3 345.535 2.430 10 0 EEAEHO C[C@H](NCC1(N2CCCCC2)CC[NH+](C)CC1)c1cc2n(n1)CCC2 ZINC000414094572 299282900 /nfs/dbraw/zinc/28/29/00/299282900.db2.gz GJVIZNMISGPNON-KRWDZBQOSA-N 1 3 345.535 2.430 10 0 EEAEHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCN2CCc3ccccc3C2)C1 ZINC000416169811 239096494 /nfs/dbraw/zinc/09/64/94/239096494.db2.gz HFSVTKIBCBZIDS-RBUKOAKNSA-N 1 3 329.488 2.424 10 0 EEAEHO C[C@@H](N[C@@H]1CNCCC1(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000423471740 240498327 /nfs/dbraw/zinc/49/83/27/240498327.db2.gz HTMWUCGYJCKAOH-CZUORRHYSA-N 1 3 327.419 2.275 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1)N(CC)CC ZINC000427148016 241384094 /nfs/dbraw/zinc/38/40/94/241384094.db2.gz RXBFRIRIXJPBAU-QZTJIDSGSA-N 1 3 339.524 2.210 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1OCCN(C)C ZINC000343570864 161147749 /nfs/dbraw/zinc/14/77/49/161147749.db2.gz AUVPOLSCZLKZTN-INIZCTEOSA-N 1 3 333.476 2.231 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1OCCN(C)C ZINC000343570864 161147750 /nfs/dbraw/zinc/14/77/50/161147750.db2.gz AUVPOLSCZLKZTN-INIZCTEOSA-N 1 3 333.476 2.231 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000271535083 274139874 /nfs/dbraw/zinc/13/98/74/274139874.db2.gz SNQREDCNDLRYFS-SZVBFZGTSA-N 1 3 327.472 2.250 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000271535083 274139876 /nfs/dbraw/zinc/13/98/76/274139876.db2.gz SNQREDCNDLRYFS-SZVBFZGTSA-N 1 3 327.472 2.250 10 0 EEAEHO CN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416849645 313335982 /nfs/dbraw/zinc/33/59/82/313335982.db2.gz YLEQLSLLCFGMHA-MHYDHLEJSA-N 1 3 342.487 2.185 10 0 EEAEHO CC[NH+](CC)CC1CCN(C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418449102 313816167 /nfs/dbraw/zinc/81/61/67/313816167.db2.gz JVFAOICUVSGFCE-SFHVURJKSA-N 1 3 332.492 2.450 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1nn(C)c(C)c1Cl ZINC000421360060 314091543 /nfs/dbraw/zinc/09/15/43/314091543.db2.gz YOORBHXJMMUBPG-HNNXBMFYSA-N 1 3 341.931 2.230 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1nn(C)c(C)c1Cl ZINC000421360060 314091546 /nfs/dbraw/zinc/09/15/46/314091546.db2.gz YOORBHXJMMUBPG-HNNXBMFYSA-N 1 3 341.931 2.230 10 0 EEAEHO CN(CCC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1cc[nH+]cc1 ZINC000542786982 318139854 /nfs/dbraw/zinc/13/98/54/318139854.db2.gz QQYJABSYKCQLHG-SFHVURJKSA-N 1 3 338.455 2.299 10 0 EEAEHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000574450434 320026139 /nfs/dbraw/zinc/02/61/39/320026139.db2.gz OLIBWFSPGKODAH-FRQCXROJSA-N 1 3 332.492 2.466 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000582170710 324394762 /nfs/dbraw/zinc/39/47/62/324394762.db2.gz LKWHERPBQIIVME-VQIMIIECSA-N 1 3 344.503 2.470 10 0 EEAEHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H](N(C)C)C1)c1ccccc1 ZINC000113624848 462607727 /nfs/dbraw/zinc/60/77/27/462607727.db2.gz BXWSDJAOEOUMBR-WBVHZDCISA-N 1 3 332.492 2.461 10 0 EEAEHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1 ZINC000113624851 462608002 /nfs/dbraw/zinc/60/80/02/462608002.db2.gz BXWSDJAOEOUMBR-NVXWUHKLSA-N 1 3 332.492 2.461 10 0 EEAEHO CCNC(=O)N1CC[C@@H](N[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000090410695 462790272 /nfs/dbraw/zinc/79/02/72/462790272.db2.gz JSPOACAZJMJLSD-NVXWUHKLSA-N 1 3 348.491 2.081 10 0 EEAEHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(N)C(F)(F)F ZINC000568399239 468331511 /nfs/dbraw/zinc/33/15/11/468331511.db2.gz GIGLXOMRQSHFEJ-CQSZACIVSA-N 1 3 344.381 2.036 10 0 EEAEHO CSc1ccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000077788747 463047941 /nfs/dbraw/zinc/04/79/41/463047941.db2.gz RRZTVHXUEPZYHK-UHFFFAOYSA-N 1 3 338.521 2.043 10 0 EEAEHO CC[NH+](CC)[C@@H](C)CNC(=O)NCCCN1CCc2ccccc2C1 ZINC000077793519 463049174 /nfs/dbraw/zinc/04/91/74/463049174.db2.gz MDMFSXIQNHTKDR-KRWDZBQOSA-N 1 3 346.519 2.464 10 0 EEAEHO CCN1CCC[C@H](NC(=O)NCc2cccc(C[N@H+](C)CC)c2)C1 ZINC000141090351 463348880 /nfs/dbraw/zinc/34/88/80/463348880.db2.gz BRKNCCLZPMLHSI-SFHVURJKSA-N 1 3 332.492 2.422 10 0 EEAEHO CCN1CCC[C@H](NC(=O)NCc2cccc(C[N@@H+](C)CC)c2)C1 ZINC000141090351 463348886 /nfs/dbraw/zinc/34/88/86/463348886.db2.gz BRKNCCLZPMLHSI-SFHVURJKSA-N 1 3 332.492 2.422 10 0 EEAEHO COc1ccc(OC)c(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000105862371 463480159 /nfs/dbraw/zinc/48/01/59/463480159.db2.gz OTATVGVJYRUMKC-HNNXBMFYSA-N 1 3 336.476 2.228 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)COCc2ccccc2F)[C@H](C)C1 ZINC000125753749 463575389 /nfs/dbraw/zinc/57/53/89/463575389.db2.gz OMSBKAGHTVXTPS-AYBZRNKSSA-N 1 3 338.467 2.365 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)COCc2ccccc2F)[C@H](C)C1 ZINC000125753749 463575394 /nfs/dbraw/zinc/57/53/94/463575394.db2.gz OMSBKAGHTVXTPS-AYBZRNKSSA-N 1 3 338.467 2.365 10 0 EEAEHO CCC[C@@H](C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[NH+](C)C ZINC000164185038 463616820 /nfs/dbraw/zinc/61/68/20/463616820.db2.gz XUADJCNLBLWZEB-QAPCUYQASA-N 1 3 332.492 2.454 10 0 EEAEHO CCC[C@H](C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[NH+](C)C ZINC000164185131 463616866 /nfs/dbraw/zinc/61/68/66/463616866.db2.gz XUADJCNLBLWZEB-CRAIPNDOSA-N 1 3 332.492 2.454 10 0 EEAEHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000170863080 463725525 /nfs/dbraw/zinc/72/55/25/463725525.db2.gz TWWDXNBNNCWCRM-ROUUACIJSA-N 1 3 332.492 2.415 10 0 EEAEHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2(N)CCOCC2)C1 ZINC000261868100 463882675 /nfs/dbraw/zinc/88/26/75/463882675.db2.gz NUEOYGVYRCTJOO-INIZCTEOSA-N 1 3 345.487 2.043 10 0 EEAEHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2(N)CCOCC2)C1 ZINC000261868100 463882679 /nfs/dbraw/zinc/88/26/79/463882679.db2.gz NUEOYGVYRCTJOO-INIZCTEOSA-N 1 3 345.487 2.043 10 0 EEAEHO CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179275932 464096780 /nfs/dbraw/zinc/09/67/80/464096780.db2.gz GVVUYEQVZYCKED-RTBURBONSA-N 1 3 344.503 2.415 10 0 EEAEHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000247600899 464697298 /nfs/dbraw/zinc/69/72/98/464697298.db2.gz UNCMUBXDTAOUGL-ZACQAIPSSA-N 1 3 336.524 2.233 10 0 EEAEHO COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282121122 464704584 /nfs/dbraw/zinc/70/45/84/464704584.db2.gz AUXROPFGLFWXIN-KRWDZBQOSA-N 1 3 335.467 2.437 10 0 EEAEHO Cc1nc2sccn2c(=O)c1CCN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000286274427 464863647 /nfs/dbraw/zinc/86/36/47/464863647.db2.gz FGKJKTBNTOXZHS-JSGCOSHPSA-N 1 3 334.489 2.021 10 0 EEAEHO Cc1nc2sccn2c(=O)c1CCN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000286274427 464863649 /nfs/dbraw/zinc/86/36/49/464863649.db2.gz FGKJKTBNTOXZHS-JSGCOSHPSA-N 1 3 334.489 2.021 10 0 EEAEHO O=C1NCCC[C@H]1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000342868676 465362006 /nfs/dbraw/zinc/36/20/06/465362006.db2.gz OYKQBTFEVCCGHK-GOSISDBHSA-N 1 3 327.472 2.253 10 0 EEAEHO O=C1NCCC[C@H]1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342868676 465362009 /nfs/dbraw/zinc/36/20/09/465362009.db2.gz OYKQBTFEVCCGHK-GOSISDBHSA-N 1 3 327.472 2.253 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339861674 465556167 /nfs/dbraw/zinc/55/61/67/465556167.db2.gz NWUCVLUJYSTPRT-GBESFXJTSA-N 1 3 344.503 2.085 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339861674 465556168 /nfs/dbraw/zinc/55/61/68/465556168.db2.gz NWUCVLUJYSTPRT-GBESFXJTSA-N 1 3 344.503 2.085 10 0 EEAEHO C[NH+]1CCC(O)(CNCc2ccccc2OCC(F)(F)F)CC1 ZINC000344580991 465692431 /nfs/dbraw/zinc/69/24/31/465692431.db2.gz IZLSFDWHHISAFO-UHFFFAOYSA-N 1 3 332.366 2.174 10 0 EEAEHO CN1CCN(CC2(C)CC[NH+](C[C@](C)(O)c3ccccc3)CC2)CC1 ZINC000371835184 466026231 /nfs/dbraw/zinc/02/62/31/466026231.db2.gz QZVQOGMVAFXEIZ-NRFANRHFSA-N 1 3 345.531 2.244 10 0 EEAEHO CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000340478594 466113216 /nfs/dbraw/zinc/11/32/16/466113216.db2.gz SAZAYXQFAYKYFB-RTBURBONSA-N 1 3 327.476 2.211 10 0 EEAEHO CC[C@H](Cn1cncn1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000340478594 466113223 /nfs/dbraw/zinc/11/32/23/466113223.db2.gz SAZAYXQFAYKYFB-RTBURBONSA-N 1 3 327.476 2.211 10 0 EEAEHO CC[C@H](Cn1cncn1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000340478594 466113231 /nfs/dbraw/zinc/11/32/31/466113231.db2.gz SAZAYXQFAYKYFB-RTBURBONSA-N 1 3 327.476 2.211 10 0 EEAEHO C[C@@H]1CCC[C@@](CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)([NH+](C)C)C1 ZINC000349702638 466198266 /nfs/dbraw/zinc/19/82/66/466198266.db2.gz LBGDMWCYWBXFHZ-SZVBFZGTSA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@H]1CCC[N@H+](CCNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000354334278 466483164 /nfs/dbraw/zinc/48/31/64/466483164.db2.gz MGXFIDHBPGQHBB-KRWDZBQOSA-N 1 3 329.488 2.283 10 0 EEAEHO C[C@H]1CCC[N@@H+](CCNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000354334278 466483172 /nfs/dbraw/zinc/48/31/72/466483172.db2.gz MGXFIDHBPGQHBB-KRWDZBQOSA-N 1 3 329.488 2.283 10 0 EEAEHO C[C@@H](CNC(=O)N(CC[NH3+])CCc1ccccc1)N1CCC[C@H](C)C1 ZINC000417027399 466758792 /nfs/dbraw/zinc/75/87/92/466758792.db2.gz ZSHZMUNLLQDJHF-ROUUACIJSA-N 1 3 346.519 2.320 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417201543 466800638 /nfs/dbraw/zinc/80/06/38/466800638.db2.gz WMZGKGKVBBEKTA-MHYDHLEJSA-N 1 3 344.503 2.084 10 0 EEAEHO C[NH2+]C[C@H](C)CNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417734319 466919183 /nfs/dbraw/zinc/91/91/83/466919183.db2.gz JYILTUXYXZYMNH-OFQRWUPVSA-N 1 3 338.521 2.286 10 0 EEAEHO C[C@H]1CC2(CN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1)CC[NH2+]CC2 ZINC000424291380 467023744 /nfs/dbraw/zinc/02/37/44/467023744.db2.gz NTABCXQVKVANJJ-UONOGXRCSA-N 1 3 347.425 2.251 10 0 EEAEHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000418498400 467119690 /nfs/dbraw/zinc/11/96/90/467119690.db2.gz XDXXDKVWMYXMNY-QGTPRVQTSA-N 1 3 330.476 2.332 10 0 EEAEHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000418585490 467132310 /nfs/dbraw/zinc/13/23/10/467132310.db2.gz DIPPXYZSHPXMPW-WMZOPIPTSA-N 1 3 332.492 2.066 10 0 EEAEHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000418607037 467134959 /nfs/dbraw/zinc/13/49/59/467134959.db2.gz ZYAFDSWMKSVCCL-QFBILLFUSA-N 1 3 344.503 2.290 10 0 EEAEHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000418751209 467155340 /nfs/dbraw/zinc/15/53/40/467155340.db2.gz QIRZDPRGRCYDJH-OAHLLOKOSA-N 1 3 346.466 2.137 10 0 EEAEHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000418751209 467155343 /nfs/dbraw/zinc/15/53/43/467155343.db2.gz QIRZDPRGRCYDJH-OAHLLOKOSA-N 1 3 346.466 2.137 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000382768127 467379224 /nfs/dbraw/zinc/37/92/24/467379224.db2.gz YUMCZRSNWNNBBJ-QRQLOZEOSA-N 1 3 329.488 2.484 10 0 EEAEHO O=C1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCCN1 ZINC000383453845 467380266 /nfs/dbraw/zinc/38/02/66/467380266.db2.gz HTGJGTTVIAQHNS-NCXUSEDFSA-N 1 3 327.472 2.155 10 0 EEAEHO CCC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccn1 ZINC000414189376 467388290 /nfs/dbraw/zinc/38/82/90/467388290.db2.gz JQLNYBXMNCCBLX-SFHVURJKSA-N 1 3 346.519 2.309 10 0 EEAEHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCCNC2)c(OC)c1 ZINC000415067243 467480413 /nfs/dbraw/zinc/48/04/13/467480413.db2.gz KGFLUQQWJOFICT-UONOGXRCSA-N 1 3 335.448 2.153 10 0 EEAEHO Cc1ccc(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c(OCCN(C)C)c1 ZINC000415197304 467516281 /nfs/dbraw/zinc/51/62/81/467516281.db2.gz AQMBJWPNEIHPRZ-HUUCEWRRSA-N 1 3 334.464 2.055 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@](C)(O)COC)CC1 ZINC000449383897 467634680 /nfs/dbraw/zinc/63/46/80/467634680.db2.gz KTYWJDSGEBGBFK-FQEVSTJZSA-N 1 3 349.519 2.096 10 0 EEAEHO OCCN1CCCC[C@H]1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000449389640 467635663 /nfs/dbraw/zinc/63/56/63/467635663.db2.gz DLMXKGGUVAEWCF-NRFANRHFSA-N 1 3 345.531 2.130 10 0 EEAEHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3CCCCN3CCO)CC2)C1 ZINC000449389424 467635891 /nfs/dbraw/zinc/63/58/91/467635891.db2.gz CTWVUYAZFJAZPE-HOJAQTOUSA-N 1 3 337.552 2.466 10 0 EEAEHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458346531 467812806 /nfs/dbraw/zinc/81/28/06/467812806.db2.gz SOVGMEBBEHBFOE-GVDBMIGSSA-N 1 3 336.524 2.375 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)NCCN2CC[C@@H](C)C2)CC1 ZINC000531217905 468036660 /nfs/dbraw/zinc/03/66/60/468036660.db2.gz DDDOBJFPQAFLSK-OAHLLOKOSA-N 1 3 330.476 2.064 10 0 EEAEHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000594926943 468723795 /nfs/dbraw/zinc/72/37/95/468723795.db2.gz ORRHMCTWQBLATA-JCHJZTRSSA-N 1 3 330.472 2.338 10 0 EEAEHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000594926943 468723797 /nfs/dbraw/zinc/72/37/97/468723797.db2.gz ORRHMCTWQBLATA-JCHJZTRSSA-N 1 3 330.472 2.338 10 0 EEAEHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000594926943 468723802 /nfs/dbraw/zinc/72/38/02/468723802.db2.gz ORRHMCTWQBLATA-JCHJZTRSSA-N 1 3 330.472 2.338 10 0 EEAEHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000594926945 468723926 /nfs/dbraw/zinc/72/39/26/468723926.db2.gz ORRHMCTWQBLATA-QXCFHYIPSA-N 1 3 330.472 2.338 10 0 EEAEHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000594926945 468723930 /nfs/dbraw/zinc/72/39/30/468723930.db2.gz ORRHMCTWQBLATA-QXCFHYIPSA-N 1 3 330.472 2.338 10 0 EEAEHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000594926945 468723934 /nfs/dbraw/zinc/72/39/34/468723934.db2.gz ORRHMCTWQBLATA-QXCFHYIPSA-N 1 3 330.472 2.338 10 0 EEAEHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H]1n1cccn1 ZINC000562685703 469037091 /nfs/dbraw/zinc/03/70/91/469037091.db2.gz MABFZPBYWNQLSI-OTWHNJEPSA-N 1 3 341.459 2.255 10 0 EEAEHO CC(C)(C)OC(=O)CCCC[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000595862357 469050867 /nfs/dbraw/zinc/05/08/67/469050867.db2.gz AUGBCRUEOSAFOY-INIZCTEOSA-N 1 3 326.481 2.029 10 0 EEAEHO C[NH2+]CCOCCN[C@H]1CCc2c1ccc(F)c2Br ZINC000629530478 469573200 /nfs/dbraw/zinc/57/32/00/469573200.db2.gz HULUZIBIMVDYOB-ZDUSSCGKSA-N 1 3 331.229 2.401 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1occc1Br ZINC000617505848 469703626 /nfs/dbraw/zinc/70/36/26/469703626.db2.gz SFWVEUOJRCSHSK-NSHDSACASA-N 1 3 346.269 2.044 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1occc1Br ZINC000617505848 469703633 /nfs/dbraw/zinc/70/36/33/469703633.db2.gz SFWVEUOJRCSHSK-NSHDSACASA-N 1 3 346.269 2.044 10 0 EEAEHO COc1cccc([C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000617505170 469704070 /nfs/dbraw/zinc/70/40/70/469704070.db2.gz XDIJSBAEXIKYMN-JKSUJKDBSA-N 1 3 335.492 2.187 10 0 EEAEHO COc1cccc([C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000617505170 469704074 /nfs/dbraw/zinc/70/40/74/469704074.db2.gz XDIJSBAEXIKYMN-JKSUJKDBSA-N 1 3 335.492 2.187 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(C(F)(F)F)n1 ZINC000617507648 469705252 /nfs/dbraw/zinc/70/52/52/469705252.db2.gz DQGXVXVUZUJLTI-LBPRGKRZSA-N 1 3 346.397 2.102 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(C(F)(F)F)n1 ZINC000617507648 469705258 /nfs/dbraw/zinc/70/52/58/469705258.db2.gz DQGXVXVUZUJLTI-LBPRGKRZSA-N 1 3 346.397 2.102 10 0 EEAEHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000623717517 469743775 /nfs/dbraw/zinc/74/37/75/469743775.db2.gz DPWSMCVABIXGHQ-JFIYKMOQSA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000623717517 469743779 /nfs/dbraw/zinc/74/37/79/469743779.db2.gz DPWSMCVABIXGHQ-JFIYKMOQSA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CN1Cc1ccccc1 ZINC000626999402 469783894 /nfs/dbraw/zinc/78/38/94/469783894.db2.gz ZAVRPSXHBOERAJ-XYVMCAHJSA-N 1 3 330.476 2.089 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000627033353 469797035 /nfs/dbraw/zinc/79/70/35/469797035.db2.gz HRSVGJKZMZAYJL-BZZMCLGOSA-N 1 3 332.492 2.426 10 0 EEAEHO CCN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(CC)C1 ZINC000617923426 469838205 /nfs/dbraw/zinc/83/82/05/469838205.db2.gz CEQBIWGWDSSHHA-OALUTQOASA-N 1 3 329.488 2.451 10 0 EEAEHO CCN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(CC)C1 ZINC000617923426 469838210 /nfs/dbraw/zinc/83/82/10/469838210.db2.gz CEQBIWGWDSSHHA-OALUTQOASA-N 1 3 329.488 2.451 10 0 EEAEHO Cc1cc(NCCN2CC[C@H](O)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000624773376 470018522 /nfs/dbraw/zinc/01/85/22/470018522.db2.gz IHDZOCHGFBSAGA-LBPRGKRZSA-N 1 3 337.370 2.045 10 0 EEAEHO C[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(F)(F)F ZINC000624936712 470047993 /nfs/dbraw/zinc/04/79/93/470047993.db2.gz SUZPNDQJQDYWQF-GFCCVEGCSA-N 1 3 335.414 2.250 10 0 EEAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)C1 ZINC000631647075 470175972 /nfs/dbraw/zinc/17/59/72/470175972.db2.gz PHUWRPNGYPAHGD-WCIQWLHISA-N 1 3 342.483 2.300 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770650 470303876 /nfs/dbraw/zinc/30/38/76/470303876.db2.gz SQSHAERMAUUQAG-CAIZAGQASA-N 1 3 327.472 2.013 10 0 EEAEHO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCc2ccccc2[C@H]1CN ZINC000646190307 470559527 /nfs/dbraw/zinc/55/95/27/470559527.db2.gz LSTBUGKPECCUJA-SJLPKXTDSA-N 1 3 330.476 2.129 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000649370202 470561589 /nfs/dbraw/zinc/56/15/89/470561589.db2.gz HNCOKFWAHSLLMN-OAHLLOKOSA-N 1 3 331.460 2.032 10 0 EEAEHO C[C@@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2n(n1)CCCC2 ZINC000647288501 470876922 /nfs/dbraw/zinc/87/69/22/470876922.db2.gz FPOCYKMGUSZJOW-HZPDHXFCSA-N 1 3 331.508 2.039 10 0 EEAEHO C[C@@H](N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1cc2n(n1)CCCC2 ZINC000647288501 470876927 /nfs/dbraw/zinc/87/69/27/470876927.db2.gz FPOCYKMGUSZJOW-HZPDHXFCSA-N 1 3 331.508 2.039 10 0 EEAEHO C[C@@H](N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1cc2n(n1)CCCC2 ZINC000647288501 470876932 /nfs/dbraw/zinc/87/69/32/470876932.db2.gz FPOCYKMGUSZJOW-HZPDHXFCSA-N 1 3 331.508 2.039 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000654858147 471204837 /nfs/dbraw/zinc/20/48/37/471204837.db2.gz CVPFDQJCNQBRNU-LMMKCTJWSA-N 1 3 329.488 2.355 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000654858147 471204843 /nfs/dbraw/zinc/20/48/43/471204843.db2.gz CVPFDQJCNQBRNU-LMMKCTJWSA-N 1 3 329.488 2.355 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCCC3(F)F)CC2)CC1 ZINC000655080229 471262235 /nfs/dbraw/zinc/26/22/35/471262235.db2.gz VLZONQAVMUIFDQ-MRXNPFEDSA-N 1 3 343.462 2.487 10 0 EEAEHO CN(c1ccccc1CNCC12CC(C1)C[NH2+]2)C1CCN(C)CC1 ZINC000663498596 471401278 /nfs/dbraw/zinc/40/12/78/471401278.db2.gz QSTGVSMXPUIWTM-UHFFFAOYSA-N 1 3 328.504 2.059 10 0 EEAEHO CCN(C(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1CCN(CC)C1 ZINC000663677674 471470628 /nfs/dbraw/zinc/47/06/28/471470628.db2.gz BLCNGAWOZGAUOG-SFHVURJKSA-N 1 3 332.492 2.374 10 0 EEAEHO CN1C[C@@H](C[NH2+]C2CCN([C@H]3CCOC3)CC2)[C@H](c2ccccc2)C1 ZINC000655779327 471479890 /nfs/dbraw/zinc/47/98/90/471479890.db2.gz IWGONWTZWTZGPM-GIVPXCGWSA-N 1 3 343.515 2.175 10 0 EEAEHO Cc1ccsc1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663823709 471533680 /nfs/dbraw/zinc/53/36/80/471533680.db2.gz ATAXEBFDEIRQGV-AWEZNQCLSA-N 1 3 326.510 2.128 10 0 EEAEHO Cc1ccsc1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663823709 471533683 /nfs/dbraw/zinc/53/36/83/471533683.db2.gz ATAXEBFDEIRQGV-AWEZNQCLSA-N 1 3 326.510 2.128 10 0 EEAEHO CC[C@H](CN1CCCC1)NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000669529132 471536976 /nfs/dbraw/zinc/53/69/76/471536976.db2.gz FQINFAUYDIDVAL-ORPJZTTNSA-N 1 3 348.535 2.314 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655915758 471537145 /nfs/dbraw/zinc/53/71/45/471537145.db2.gz XLBORNKKNSCTTL-XBFCOCLRSA-N 1 3 344.381 2.011 10 0 EEAEHO CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@@H](CN)C(F)(F)F ZINC000655924294 471542334 /nfs/dbraw/zinc/54/23/34/471542334.db2.gz JZSRKFNJVIKRME-LBPRGKRZSA-N 1 3 338.418 2.220 10 0 EEAEHO C[C@H](CN1CCC(C)CC1)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000661108659 471628965 /nfs/dbraw/zinc/62/89/65/471628965.db2.gz BVRQQAMHMRNOKP-WWDZGPRUSA-N 1 3 336.524 2.423 10 0 EEAEHO CN(C)[C@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000659465314 471640869 /nfs/dbraw/zinc/64/08/69/471640869.db2.gz VHTYUHOQFKFSRJ-RBSFLKMASA-N 1 3 342.846 2.023 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000664216772 471681133 /nfs/dbraw/zinc/68/11/33/471681133.db2.gz AQFNVYBXPPIGTH-QRFRQXIXSA-N 1 3 346.519 2.288 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000664216772 471681138 /nfs/dbraw/zinc/68/11/38/471681138.db2.gz AQFNVYBXPPIGTH-QRFRQXIXSA-N 1 3 346.519 2.288 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1nc(C2CC2)cs1 ZINC000664313580 471715504 /nfs/dbraw/zinc/71/55/04/471715504.db2.gz AJDXNHOTQJVJBC-LBPRGKRZSA-N 1 3 339.509 2.414 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1nc(C2CC2)cs1 ZINC000664313580 471715511 /nfs/dbraw/zinc/71/55/11/471715511.db2.gz AJDXNHOTQJVJBC-LBPRGKRZSA-N 1 3 339.509 2.414 10 0 EEAEHO Cc1ccncc1[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664573981 471798719 /nfs/dbraw/zinc/79/87/19/471798719.db2.gz PYDHBUXIQUOMQI-HOTGVXAUSA-N 1 3 335.496 2.022 10 0 EEAEHO Cc1ccncc1[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664573981 471798725 /nfs/dbraw/zinc/79/87/25/471798725.db2.gz PYDHBUXIQUOMQI-HOTGVXAUSA-N 1 3 335.496 2.022 10 0 EEAEHO CC[NH+](CC)CCN(Cc1cccs1)C[C@@H]1CCC2(CNC2)O1 ZINC000662258851 472046351 /nfs/dbraw/zinc/04/63/51/472046351.db2.gz MNIVUKXTOMAFFH-INIZCTEOSA-N 1 3 337.533 2.413 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc2c(c1)CCO2 ZINC000665523196 472075352 /nfs/dbraw/zinc/07/53/52/472075352.db2.gz JPBJLRGBPATXLA-AWEZNQCLSA-N 1 3 334.464 2.015 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc2c(c1)CCO2 ZINC000665523196 472075356 /nfs/dbraw/zinc/07/53/56/472075356.db2.gz JPBJLRGBPATXLA-AWEZNQCLSA-N 1 3 334.464 2.015 10 0 EEAEHO CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H](C)c1cccnc1 ZINC000665757189 472174028 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10 0 EEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000674147499 485647012 /nfs/dbraw/zinc/64/70/12/485647012.db2.gz CLQPTCUBWZYHMA-BHIYHBOVSA-N 1 3 344.503 2.290 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000674147499 485647019 /nfs/dbraw/zinc/64/70/19/485647019.db2.gz CLQPTCUBWZYHMA-BHIYHBOVSA-N 1 3 344.503 2.290 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)[C@H]1c1ccccc1 ZINC000677528258 486450597 /nfs/dbraw/zinc/45/05/97/486450597.db2.gz PBAKRKMUVSIYEM-GBESFXJTSA-N 1 3 342.487 2.215 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)[C@H]1c1ccccc1 ZINC000677528258 486450601 /nfs/dbraw/zinc/45/06/01/486450601.db2.gz PBAKRKMUVSIYEM-GBESFXJTSA-N 1 3 342.487 2.215 10 0 EEAEHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CCN1c1cc[nH+]cc1 ZINC000915252934 684066652 /nfs/dbraw/zinc/06/66/52/684066652.db2.gz TUPVYSJZWLWEQH-MRXNPFEDSA-N 1 3 330.476 2.383 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(CCCOC(C)C)C1 ZINC001266328187 1176309316 /nfs/dbraw/zinc/30/93/16/1176309316.db2.gz VZIIZRSXEIKOBB-QZTJIDSGSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(CCCOC(C)C)C1 ZINC001266328187 1176309326 /nfs/dbraw/zinc/30/93/26/1176309326.db2.gz VZIIZRSXEIKOBB-QZTJIDSGSA-N 1 3 339.524 2.112 10 0 EEAEHO COc1ccc(C)cc1CN[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001267022681 1178105856 /nfs/dbraw/zinc/10/58/56/1178105856.db2.gz LTGCJBACDVSQNF-SFHVURJKSA-N 1 3 347.503 2.426 10 0 EEAEHO COc1ccc(C)cc1CNCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001267411842 1178974297 /nfs/dbraw/zinc/97/42/97/1178974297.db2.gz DGQJBRCVDTZNMX-UHFFFAOYSA-N 1 3 347.503 2.426 10 0 EEAEHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001267819294 1180578604 /nfs/dbraw/zinc/57/86/04/1180578604.db2.gz CHRYSOYCCASYMT-ZFWWWQNUSA-N 1 3 338.883 2.061 10 0 EEAEHO CN(CC(=O)N[C@](C)(C[NH2+]CCC(F)(F)F)C1CC1)C1CCC1 ZINC001267856118 1180640335 /nfs/dbraw/zinc/64/03/35/1180640335.db2.gz KBXCOOHYQIKLCF-OAHLLOKOSA-N 1 3 335.414 2.298 10 0 EEAEHO Cc1ccc(CCC[NH2+]C[C@H]2CCCN2C(=O)Cc2c[nH]cn2)cc1 ZINC001267965244 1180863534 /nfs/dbraw/zinc/86/35/34/1180863534.db2.gz ZBMXLAAIVWVUQM-LJQANCHMSA-N 1 3 340.471 2.474 10 0 EEAEHO CC[C@H](F)C[N@H+](C)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001481518188 1181628328 /nfs/dbraw/zinc/62/83/28/1181628328.db2.gz KCMXBEUMHXLAHB-RDJZCZTQSA-N 1 3 327.488 2.247 10 0 EEAEHO CC[C@H](F)C[N@@H+](C)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001481518188 1181628333 /nfs/dbraw/zinc/62/83/33/1181628333.db2.gz KCMXBEUMHXLAHB-RDJZCZTQSA-N 1 3 327.488 2.247 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1cncs1)NC(=O)C(C)(C)N1CCCCC1 ZINC001268366688 1182342459 /nfs/dbraw/zinc/34/24/59/1182342459.db2.gz PNTNNXWQFTXIJK-AWEZNQCLSA-N 1 3 338.521 2.392 10 0 EEAEHO CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)NCc1cncs1 ZINC001481865334 1182833162 /nfs/dbraw/zinc/83/31/62/1182833162.db2.gz XXLQQMWLBYPRLM-OAHLLOKOSA-N 1 3 338.521 2.248 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H]1CCCCN1CC)[NH2+]Cc1cc(C)ns1 ZINC001481880818 1182862820 /nfs/dbraw/zinc/86/28/20/1182862820.db2.gz HMFZFACEJOWEFR-ZBFHGGJFSA-N 1 3 338.521 2.310 10 0 EEAEHO CCN(CC[NH2+]CCc1ccc(F)c(F)c1)C(=O)CN1CCCC1 ZINC001268497766 1183013368 /nfs/dbraw/zinc/01/33/68/1183013368.db2.gz GUOADXNQCQHKLB-UHFFFAOYSA-N 1 3 339.430 2.041 10 0 EEAEHO Cc1oncc1CN1CCC(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001482049565 1183234404 /nfs/dbraw/zinc/23/44/04/1183234404.db2.gz FUJKNGMFSYUILC-QGZVFWFLSA-N 1 3 348.491 2.043 10 0 EEAEHO Cc1oncc1CN1CCC(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001482049565 1183234408 /nfs/dbraw/zinc/23/44/08/1183234408.db2.gz FUJKNGMFSYUILC-QGZVFWFLSA-N 1 3 348.491 2.043 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC/C=C\C[NH2+]C/C=C/c2ccccc2)C1 ZINC001268590837 1183393782 /nfs/dbraw/zinc/39/37/82/1183393782.db2.gz JWKLPNCHIAUPII-ZJRDZVFJSA-N 1 3 327.472 2.304 10 0 EEAEHO CN(CCC[NH2+]CCOC1CCCCCC1)C(=O)[C@H]1CCCN1C ZINC001268783891 1183701737 /nfs/dbraw/zinc/70/17/37/1183701737.db2.gz OMNZXYLBXBUKQW-GOSISDBHSA-N 1 3 339.524 2.258 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001270020385 1184791361 /nfs/dbraw/zinc/79/13/61/1184791361.db2.gz ASYMVQLDSARRME-FUHWJXTLSA-N 1 3 333.451 2.043 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCOc1cccc(C)c1)N(C)C ZINC001270136690 1184877255 /nfs/dbraw/zinc/87/72/55/1184877255.db2.gz PJCHMYICYBFVQQ-HKUYNNGSSA-N 1 3 347.503 2.295 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCc1ncccc1C ZINC001482291573 1185122249 /nfs/dbraw/zinc/12/22/49/1185122249.db2.gz HFVDEKHLGISPCZ-FUHWJXTLSA-N 1 3 332.492 2.201 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCc1ncccc1C ZINC001482291573 1185122251 /nfs/dbraw/zinc/12/22/51/1185122251.db2.gz HFVDEKHLGISPCZ-FUHWJXTLSA-N 1 3 332.492 2.201 10 0 EEAEHO CCOCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001482330246 1185412344 /nfs/dbraw/zinc/41/23/44/1185412344.db2.gz HYNYXZIJHHXSKL-CRAIPNDOSA-N 1 3 345.503 2.062 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCC(F)(F)F ZINC001482445996 1185760287 /nfs/dbraw/zinc/76/02/87/1185760287.db2.gz NCFUWWWPIQUVGV-KGLIPLIRSA-N 1 3 335.414 2.394 10 0 EEAEHO CCc1ccccc1CC[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001271120448 1185915351 /nfs/dbraw/zinc/91/53/51/1185915351.db2.gz HETMLQPYBYOWAA-HNNXBMFYSA-N 1 3 328.460 2.194 10 0 EEAEHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccnc(Cl)c1)C(C)C)N(C)C ZINC001482552600 1186666609 /nfs/dbraw/zinc/66/66/09/1186666609.db2.gz IEUFUHJEFHPJGV-GJZGRUSLSA-N 1 3 340.899 2.306 10 0 EEAEHO COCc1ccc(CN(C)CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001482642246 1187473157 /nfs/dbraw/zinc/47/31/57/1187473157.db2.gz ATRWPCBCBZSUFX-IBGZPJMESA-N 1 3 347.503 2.065 10 0 EEAEHO COCc1ccc(CN(C)CCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001482642246 1187473159 /nfs/dbraw/zinc/47/31/59/1187473159.db2.gz ATRWPCBCBZSUFX-IBGZPJMESA-N 1 3 347.503 2.065 10 0 EEAEHO Cc1ncc(CNC[C@H]2CCC[C@@H]2NC(=O)CC[NH+]2CCCCC2)o1 ZINC001482699698 1187677335 /nfs/dbraw/zinc/67/73/35/1187677335.db2.gz ZDHFDGOTEMVCIM-AEFFLSMTSA-N 1 3 348.491 2.234 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001482970191 1187910986 /nfs/dbraw/zinc/91/09/86/1187910986.db2.gz PAEOXOVVDOSJTB-IRXDYDNUSA-N 1 3 332.492 2.201 10 0 EEAEHO C[C@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)c1cccc(CN(C)C)c1 ZINC001483198752 1189094716 /nfs/dbraw/zinc/09/47/16/1189094716.db2.gz YSIWNGCVSOCXQP-QAPCUYQASA-N 1 3 347.503 2.271 10 0 EEAEHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1cncs1)N(C)C ZINC001409452340 1189701099 /nfs/dbraw/zinc/70/10/99/1189701099.db2.gz TWCZQKCILHBSOE-AWEZNQCLSA-N 1 3 326.510 2.058 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCOC1CCC1 ZINC001483441452 1190481956 /nfs/dbraw/zinc/48/19/56/1190481956.db2.gz ADMHSVRFWHUCHC-WBVHZDCISA-N 1 3 348.491 2.094 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCOC1CCC1 ZINC001483441449 1190481993 /nfs/dbraw/zinc/48/19/93/1190481993.db2.gz ADMHSVRFWHUCHC-DOTOQJQBSA-N 1 3 348.491 2.094 10 0 EEAEHO CN(CCC[NH2+]CCc1ccccc1Cl)C(=O)Cc1c[nH]cn1 ZINC001483495328 1190512156 /nfs/dbraw/zinc/51/21/56/1190512156.db2.gz WRMXIHXEFFFYDD-UHFFFAOYSA-N 1 3 334.851 2.286 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CNCc1c(C)noc1C)C1CC1 ZINC001483563027 1190552199 /nfs/dbraw/zinc/55/21/99/1190552199.db2.gz FUDQQOYVTXWDNV-QZTJIDSGSA-N 1 3 348.491 2.150 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](CNCc1c(C)noc1C)C1CC1 ZINC001483563027 1190552201 /nfs/dbraw/zinc/55/22/01/1190552201.db2.gz FUDQQOYVTXWDNV-QZTJIDSGSA-N 1 3 348.491 2.150 10 0 EEAEHO CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CC(F)(F)C2)C1)N(C)C ZINC001272623791 1190936512 /nfs/dbraw/zinc/93/65/12/1190936512.db2.gz DDKWUPYZFHQTTF-GDBMZVCRSA-N 1 3 345.478 2.446 10 0 EEAEHO CC(C)OCCN1CCc2c(CNC(=O)CC[NH+](C)C)cccc2C1 ZINC001484612449 1191437834 /nfs/dbraw/zinc/43/78/34/1191437834.db2.gz DFQXJDUEROUKIJ-UHFFFAOYSA-N 1 3 347.503 2.038 10 0 EEAEHO Cc1nc(C)c(CN2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C)s1 ZINC001484976994 1191596007 /nfs/dbraw/zinc/59/60/07/1191596007.db2.gz OWPUXXAJZSBOAM-DOMZBBRYSA-N 1 3 338.521 2.181 10 0 EEAEHO CC(C)OCC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001485040539 1191628177 /nfs/dbraw/zinc/62/81/77/1191628177.db2.gz JSGJGQRJVAAEKB-SFHVURJKSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H]([NH2+]Cc1cncc(F)c1)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001485196815 1191682286 /nfs/dbraw/zinc/68/22/86/1191682286.db2.gz YGWUTEZFPKDMQW-KGLIPLIRSA-N 1 3 338.471 2.181 10 0 EEAEHO C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)NCc1cncc(F)c1 ZINC001485229633 1191698973 /nfs/dbraw/zinc/69/89/73/1191698973.db2.gz KKDHXYNGUZOICS-LSDHHAIUSA-N 1 3 336.455 2.080 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)cc2)C(C)(C)C1 ZINC001486246092 1193772634 /nfs/dbraw/zinc/77/26/34/1193772634.db2.gz DBPVFGCEWWKLAZ-GOSISDBHSA-N 1 3 347.503 2.364 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]C[C@@H]1CCCCO1)C(C)(C)C ZINC001486425383 1193939778 /nfs/dbraw/zinc/93/97/78/1193939778.db2.gz ZGLKQGDWSUWKSD-JKSUJKDBSA-N 1 3 327.513 2.016 10 0 EEAEHO C[C@@H]1CC[C@H](CN2CC=C(CNC(=O)CC[NH+]3CCCCC3)CC2)O1 ZINC001486520542 1194042233 /nfs/dbraw/zinc/04/22/33/1194042233.db2.gz DVHXBFFKZXGMRJ-IEBWSBKVSA-N 1 3 349.519 2.178 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)[C@@H](C[NH2+]CC2CC(F)(F)C2)C2CC2)C1 ZINC001410310181 1197672917 /nfs/dbraw/zinc/67/29/17/1197672917.db2.gz KYWJVSDXCBMMSR-BBRMVZONSA-N 1 3 343.462 2.200 10 0 EEAEHO C[NH+]1CCC2(CCCN2C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810847974 1199762781 /nfs/dbraw/zinc/76/27/81/1199762781.db2.gz ROAGZXAHMSLXQX-SFHVURJKSA-N 1 3 325.472 2.286 10 0 EEAEHO CC[C@@H](CNC(=O)CCC12CC(C1)C[NH2+]2)N1CCc2ccccc2C1 ZINC000870918855 1200952687 /nfs/dbraw/zinc/95/26/87/1200952687.db2.gz RSURJBAMWDIIKS-BSLVTKGXSA-N 1 3 341.499 2.472 10 0 EEAEHO CC(C)COCC[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001274252133 1204977048 /nfs/dbraw/zinc/97/70/48/1204977048.db2.gz SXCJMJFLXOQKLO-SJORKVTESA-N 1 3 341.540 2.073 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001275572394 1205421577 /nfs/dbraw/zinc/42/15/77/1205421577.db2.gz VKWPIGSBZDWPKC-OLZOCXBDSA-N 1 3 326.872 2.058 10 0 EEAEHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000924806894 1206034611 /nfs/dbraw/zinc/03/46/11/1206034611.db2.gz GSUNVFJJSPEEGE-ZCQXEVHSSA-N 1 3 347.478 2.129 10 0 EEAEHO CC1(C)C[C@@H]([NH3+])C[C@H](N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)C1 ZINC000925734106 1206147728 /nfs/dbraw/zinc/14/77/28/1206147728.db2.gz NJVQMATYKFGZRN-JKQORVJESA-N 1 3 336.501 2.487 10 0 EEAEHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1N(C)C ZINC000925856924 1206161863 /nfs/dbraw/zinc/16/18/63/1206161863.db2.gz OFQSXIPOCKXORR-LSDHHAIUSA-N 1 3 331.460 2.089 10 0 EEAEHO Cc1nnsc1[C@H](C)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000930130661 1206536488 /nfs/dbraw/zinc/53/64/88/1206536488.db2.gz RSPIGFFIZNHKTG-HNNXBMFYSA-N 1 3 337.537 2.398 10 0 EEAEHO CN1C[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@]2(C)C1 ZINC000933741289 1207831879 /nfs/dbraw/zinc/83/18/79/1207831879.db2.gz SYXJJFNSNASNCC-SKDZVZGDSA-N 1 3 333.863 2.329 10 0 EEAEHO CN1C[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@]2(C)C1 ZINC000933741289 1207831877 /nfs/dbraw/zinc/83/18/77/1207831877.db2.gz SYXJJFNSNASNCC-SKDZVZGDSA-N 1 3 333.863 2.329 10 0 EEAEHO CC(C)C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C1CCOCC1 ZINC000902981920 1239261637 /nfs/dbraw/zinc/26/16/37/1239261637.db2.gz SHDZXQKIYBUKGI-SFHVURJKSA-N 1 3 325.541 2.443 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NC[C@@H](C)[NH+]2CCCCC2)cc(Cl)n1 ZINC000827474391 1248158355 /nfs/dbraw/zinc/15/83/55/1248158355.db2.gz YFKUHIRUNCKIDO-HIFRSBDPSA-N 1 3 338.883 2.424 10 0 EEAEHO N[C@@H]1CN(C(=O)NCCCCCCC[NH+]2CCCC2)CC[C@H]1F ZINC000851658386 1277705008 /nfs/dbraw/zinc/70/50/08/1277705008.db2.gz XMLMJEFSNHIXNL-HZPDHXFCSA-N 1 3 328.476 2.113 10 0 EEAEHO O=C(NCCCCCC1CCN(CCF)CC1)C12CC[NH+](CC1)C2 ZINC001273815140 1286281180 /nfs/dbraw/zinc/28/11/80/1286281180.db2.gz XNTNCHRZXSLAEF-UHFFFAOYSA-N 1 3 339.499 2.440 10 0 EEAEHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC001489240379 1290490690 /nfs/dbraw/zinc/49/06/90/1290490690.db2.gz MKAFKEKFYVBLIC-GOSISDBHSA-N 1 3 339.524 2.116 10 0 EEAEHO C[NH+](C)CCCOc1cnccc1CN[C@H]1CCCc2cn[nH]c21 ZINC000857867694 1293936320 /nfs/dbraw/zinc/93/63/20/1293936320.db2.gz IJPPWMZISPOPHS-INIZCTEOSA-N 1 3 329.448 2.302 10 0 EEAEHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(Cc2cccc(C3CC3)c2)CC1 ZINC000863643876 1296361345 /nfs/dbraw/zinc/36/13/45/1296361345.db2.gz ZVZKEHBFXGTKEG-RBUKOAKNSA-N 1 3 341.455 2.321 10 0 EEAEHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCCCCF)CC[C@@H]2C1)C1CCC1 ZINC001264091302 1322616953 /nfs/dbraw/zinc/61/69/53/1322616953.db2.gz XJUVBKRDCNPRJM-SJORKVTESA-N 1 3 339.499 2.391 10 0 EEAEHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCCCCF)CC[C@@H]2C1)C1CCC1 ZINC001264091302 1322616958 /nfs/dbraw/zinc/61/69/58/1322616958.db2.gz XJUVBKRDCNPRJM-SJORKVTESA-N 1 3 339.499 2.391 10 0 EEAEHO COc1cc(C[N@H+](C)CCCNC(=O)[C@@H]2CCCN2C)ccc1C ZINC001264970308 1322821953 /nfs/dbraw/zinc/82/19/53/1322821953.db2.gz CWIUBHOITKEZND-KRWDZBQOSA-N 1 3 333.476 2.036 10 0 EEAEHO COc1cc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCCN2C)ccc1C ZINC001264970308 1322821955 /nfs/dbraw/zinc/82/19/55/1322821955.db2.gz CWIUBHOITKEZND-KRWDZBQOSA-N 1 3 333.476 2.036 10 0 EEAEHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC001265458430 1323166098 /nfs/dbraw/zinc/16/60/98/1323166098.db2.gz WRFVTGJTQGTYNM-SFHVURJKSA-N 1 3 345.487 2.132 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCCC2CCOCC2)C1 ZINC001265568473 1323223122 /nfs/dbraw/zinc/22/31/22/1323223122.db2.gz YHNDWFLZNMOVCW-CALCHBBNSA-N 1 3 348.491 2.094 10 0 EEAEHO CCOCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001265706568 1323342921 /nfs/dbraw/zinc/34/29/21/1323342921.db2.gz XIXSZJVLZZEKNR-IAGOWNOFSA-N 1 3 341.540 2.218 10 0 EEAEHO CCOCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001265706568 1323342926 /nfs/dbraw/zinc/34/29/26/1323342926.db2.gz XIXSZJVLZZEKNR-IAGOWNOFSA-N 1 3 341.540 2.218 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCCN(C)Cc1ccccn1 ZINC001265880049 1323450955 /nfs/dbraw/zinc/45/09/55/1323450955.db2.gz BYXMROOAHPIANZ-GOSISDBHSA-N 1 3 332.492 2.140 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCCN(C)Cc1ccccn1 ZINC001265880049 1323450961 /nfs/dbraw/zinc/45/09/61/1323450961.db2.gz BYXMROOAHPIANZ-GOSISDBHSA-N 1 3 332.492 2.140 10 0 EEAEHO Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001265945343 1323509151 /nfs/dbraw/zinc/50/91/51/1323509151.db2.gz JTALGHPOSZKYHO-IBGZPJMESA-N 1 3 329.488 2.214 10 0 EEAEHO CC[N@H+](CCCNC(=O)CN1CCC(C)CC1)Cc1ncccc1C ZINC001266095285 1323656883 /nfs/dbraw/zinc/65/68/83/1323656883.db2.gz STDDYQCORNLENY-UHFFFAOYSA-N 1 3 346.519 2.450 10 0 EEAEHO CC[N@@H+](CCCNC(=O)CN1CCC(C)CC1)Cc1ncccc1C ZINC001266095285 1323656887 /nfs/dbraw/zinc/65/68/87/1323656887.db2.gz STDDYQCORNLENY-UHFFFAOYSA-N 1 3 346.519 2.450 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001280307233 1324151365 /nfs/dbraw/zinc/15/13/65/1324151365.db2.gz KLUALJOTICEQHV-MRXNPFEDSA-N 1 3 335.467 2.494 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCF)(c2ccccc2)CC1 ZINC001281586004 1325325324 /nfs/dbraw/zinc/32/53/24/1325325324.db2.gz GLJKGWRBFXAMHT-GOSISDBHSA-N 1 3 347.478 2.200 10 0 EEAEHO CCCCOCC[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001282976955 1325863881 /nfs/dbraw/zinc/86/38/81/1325863881.db2.gz AGKPIQMHOZBGIJ-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCCOCC[N@H+]1CCCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001282976955 1325863884 /nfs/dbraw/zinc/86/38/84/1325863884.db2.gz AGKPIQMHOZBGIJ-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1cncc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001491603445 1330200801 /nfs/dbraw/zinc/20/08/01/1330200801.db2.gz TZYQWRDSFSMGQL-FUHWJXTLSA-N 1 3 332.492 2.247 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](CCCCCF)CC[C@@H]2C1 ZINC001316758928 1331812188 /nfs/dbraw/zinc/81/21/88/1331812188.db2.gz ANUPGAWRHZLFPK-SJORKVTESA-N 1 3 327.488 2.247 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](CCCCCF)CC[C@@H]2C1 ZINC001316758928 1331812191 /nfs/dbraw/zinc/81/21/91/1331812191.db2.gz ANUPGAWRHZLFPK-SJORKVTESA-N 1 3 327.488 2.247 10 0 EEAEHO CC(C)OCC[N@H+](C)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001316851339 1331934550 /nfs/dbraw/zinc/93/45/50/1331934550.db2.gz VDJUTTFLJOLYBM-GOSISDBHSA-N 1 3 345.503 2.062 10 0 EEAEHO CC(C)OCC[N@@H+](C)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001316851339 1331934551 /nfs/dbraw/zinc/93/45/51/1331934551.db2.gz VDJUTTFLJOLYBM-GOSISDBHSA-N 1 3 345.503 2.062 10 0 EEAEHO CCOCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001316878287 1331946046 /nfs/dbraw/zinc/94/60/46/1331946046.db2.gz MBZSJOSEGQMLDW-DLBZAZTESA-N 1 3 341.540 2.360 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCOc2cc(C)cc(C)c2)C1)N(C)C ZINC001317307890 1332173252 /nfs/dbraw/zinc/17/32/52/1332173252.db2.gz WZBBWNCPLKGUCX-HKUYNNGSSA-N 1 3 347.503 2.213 10 0 EEAEHO Cc1ccccc1OCC[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001319472229 1332707757 /nfs/dbraw/zinc/70/77/57/1332707757.db2.gz HVGFHDHPGYOFEH-KRWDZBQOSA-N 1 3 347.503 2.295 10 0 EEAEHO Cc1ncc(CN2CC[C@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@H]32)o1 ZINC001320111763 1332829456 /nfs/dbraw/zinc/82/94/56/1332829456.db2.gz QKZBEIUYNCHWGX-FUHWJXTLSA-N 1 3 348.491 2.138 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCc2cc(C)ns2)CC[N@@H+]1C ZINC001320736504 1332943040 /nfs/dbraw/zinc/94/30/40/1332943040.db2.gz CKNADWPOLXCLHO-JKSUJKDBSA-N 1 3 338.521 2.120 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCc2cc(C)ns2)CC[N@H+]1C ZINC001320736504 1332943041 /nfs/dbraw/zinc/94/30/41/1332943041.db2.gz CKNADWPOLXCLHO-JKSUJKDBSA-N 1 3 338.521 2.120 10 0 EEAEHO CC[C@H](C(=O)NC/C=C\C[NH2+]C[C@H]1CCCC(F)(F)C1)N(C)C ZINC001321110767 1333021923 /nfs/dbraw/zinc/02/19/23/1333021923.db2.gz NRKYXKIZXPMTCI-RWCKICOTSA-N 1 3 331.451 2.414 10 0 EEAEHO C[NH+](C)CC1(C(=O)NC/C=C\CN[C@@H]2CCc3c2cccc3F)CC1 ZINC001321208621 1333044795 /nfs/dbraw/zinc/04/47/95/1333044795.db2.gz BAPOACBWXBVOEA-DDKKJVIOSA-N 1 3 345.462 2.417 10 0 EEAEHO Cc1cc(C)c(C[NH2+]C/C=C\CNC(=O)CN2CCCC2)c(C)c1 ZINC001321406138 1333096753 /nfs/dbraw/zinc/09/67/53/1333096753.db2.gz UUALAOBKXYCSEX-PLNGDYQASA-N 1 3 329.488 2.470 10 0 EEAEHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]CCCOc1ccccc1 ZINC001324273513 1333646978 /nfs/dbraw/zinc/64/69/78/1333646978.db2.gz MLOYBNWQNJQVIB-SFHVURJKSA-N 1 3 345.487 2.132 10 0 EEAEHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]CCCc1ccsc1 ZINC001324273284 1333647051 /nfs/dbraw/zinc/64/70/51/1333647051.db2.gz JTUMJNBUONDFJN-KRWDZBQOSA-N 1 3 335.517 2.357 10 0 EEAEHO C[C@@H](NC[C@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1)c1cnccn1 ZINC001324817413 1333766423 /nfs/dbraw/zinc/76/64/23/1333766423.db2.gz IEBAIBZSMITPTM-APWZRJJASA-N 1 3 347.507 2.098 10 0 EEAEHO C[C@@H](C(=O)NC1(C[NH2+]CCCO)CCCCC1)N1CCCCCC1 ZINC001329849681 1334726770 /nfs/dbraw/zinc/72/67/70/1334726770.db2.gz SJGXTRYDENQHAH-KRWDZBQOSA-N 1 3 339.524 2.042 10 0 EEAEHO C[C@H](CCC[NH2+]Cc1ccnn1C)NC(=O)C(C)(C)N1CCCCC1 ZINC001330812198 1334907371 /nfs/dbraw/zinc/90/73/71/1334907371.db2.gz NESAPYWGQYVVIN-MRXNPFEDSA-N 1 3 349.523 2.059 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC2=CC[N@H+](CC3CC3)CC2)C1 ZINC001333405696 1336037391 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EEAEHO C[C@@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)CN1C(=O)CN1CCCC1 ZINC001676781734 1357198762 /nfs/dbraw/zinc/19/87/62/1357198762.db2.gz CVPYSRUEOHUMBZ-APWZRJJASA-N 1 3 347.478 2.433 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001661510433 1354647751 /nfs/dbraw/zinc/64/77/51/1354647751.db2.gz BCQHUJZZMJKPIB-IYARVYRRSA-N 1 3 335.467 2.335 10 0 EEAEHO C[NH+](C)CCCCC(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001663634888 1355007329 /nfs/dbraw/zinc/00/73/29/1355007329.db2.gz YZWKBYIAAMZBCI-MRXNPFEDSA-N 1 3 335.467 2.496 10 0 EEAEHO CN(CC[NH2+]Cc1cccc2ccccc21)C(=O)CN1CCCC1 ZINC001664369761 1355147967 /nfs/dbraw/zinc/14/79/67/1355147967.db2.gz JXARRLNWNBZEIA-UHFFFAOYSA-N 1 3 325.456 2.484 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CCC(CCNCc2cc(C)no2)CC1 ZINC001666256403 1355497788 /nfs/dbraw/zinc/49/77/88/1355497788.db2.gz LJHHBWVTEJPTNA-UHFFFAOYSA-N 1 3 336.480 2.043 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CCC(CCNCc2cc(C)no2)CC1 ZINC001666256403 1355497791 /nfs/dbraw/zinc/49/77/91/1355497791.db2.gz LJHHBWVTEJPTNA-UHFFFAOYSA-N 1 3 336.480 2.043 10 0 EEAEHO CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001666992018 1355628688 /nfs/dbraw/zinc/62/86/88/1355628688.db2.gz JXHWNFQAVZQZPZ-YJBOKZPZSA-N 1 3 345.503 2.060 10 0 EEAEHO CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccc2ncccc2c1)N(C)C ZINC001669146840 1356107175 /nfs/dbraw/zinc/10/71/75/1356107175.db2.gz YCZLHJQDBGHZTI-ZMBJWTFHSA-N 1 3 340.471 2.337 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)NC/C=C/CNCc2cccc(C(F)F)c2)C1 ZINC001669182293 1356118851 /nfs/dbraw/zinc/11/88/51/1356118851.db2.gz BWIYASWXYJEXBX-KZSQQDEKSA-N 1 3 337.414 2.338 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)NC/C=C/CNCc2cccc(C(F)F)c2)C1 ZINC001669182293 1356118855 /nfs/dbraw/zinc/11/88/55/1356118855.db2.gz BWIYASWXYJEXBX-KZSQQDEKSA-N 1 3 337.414 2.338 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001672815006 1356590330 /nfs/dbraw/zinc/59/03/30/1356590330.db2.gz CNTAXOZMQOCCDJ-SJLPKXTDSA-N 1 3 335.467 2.494 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCOCC)CC1(C)C ZINC001674017475 1356774552 /nfs/dbraw/zinc/77/45/52/1356774552.db2.gz DKHJANTYKNMULW-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCOCC)CC1(C)C ZINC001674017475 1356774555 /nfs/dbraw/zinc/77/45/55/1356774555.db2.gz DKHJANTYKNMULW-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO CN(C)C1(C(=O)NC2CC(C[NH2+]CCc3ccccc3F)C2)CCC1 ZINC001674551323 1356857513 /nfs/dbraw/zinc/85/75/13/1356857513.db2.gz NXUZEEWRRCGAJB-UHFFFAOYSA-N 1 3 347.478 2.337 10 0 EEAEHO C[C@@H](NCc1ccnc(Cl)c1)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001674720813 1356883289 /nfs/dbraw/zinc/88/32/89/1356883289.db2.gz CWIGJKARADVTBR-CHWSQXEVSA-N 1 3 326.872 2.060 10 0 EEAEHO Cc1cnc([C@@H](C)NCCC[C@H](C)NC(=O)C2CC[NH+](C)CC2)cn1 ZINC001675966276 1357079349 /nfs/dbraw/zinc/07/93/49/1357079349.db2.gz NICLGYXYPCNKHS-GOEBONIOSA-N 1 3 347.507 2.062 10 0 EEAEHO Cc1cc(CNCC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)on1 ZINC001699140752 1405290301 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2.252 10 0 EEAEHO O=C1CCCN1CCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716673913 796405712 /nfs/dbraw/zinc/40/57/12/796405712.db2.gz RRENBCUULBOABB-OTWHNJEPSA-N 1 3 327.472 2.252 10 0 EEAEHO O=C1CCCN1CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716673913 796405717 /nfs/dbraw/zinc/40/57/17/796405717.db2.gz RRENBCUULBOABB-OTWHNJEPSA-N 1 3 327.472 2.252 10 0 EEAEHO CN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccccc1OC1CC1 ZINC001566516240 1125687613 /nfs/dbraw/zinc/68/76/13/1125687613.db2.gz DNJKZRGIPOZLIG-QGZVFWFLSA-N 1 3 345.487 2.118 10 0 EEAEHO CN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1OC1CC1 ZINC001566516240 1125687619 /nfs/dbraw/zinc/68/76/19/1125687619.db2.gz DNJKZRGIPOZLIG-QGZVFWFLSA-N 1 3 345.487 2.118 10 0 EEAEHO CC(C)OCCN1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001437029818 1088841550 /nfs/dbraw/zinc/84/15/50/1088841550.db2.gz CBJPBRBFESRTAU-QZTJIDSGSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)OCCN1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001437029818 1088841562 /nfs/dbraw/zinc/84/15/62/1088841562.db2.gz CBJPBRBFESRTAU-QZTJIDSGSA-N 1 3 339.524 2.257 10 0 EEAEHO C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)NCc1cncc(F)c1 ZINC001437210838 1089290029 /nfs/dbraw/zinc/29/00/29/1089290029.db2.gz DOFLKUFEBVEBFY-GJZGRUSLSA-N 1 3 336.455 2.080 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NCC[C@@H]2CCN(Cc3ccccc3F)C2)CC[N@@H+]1C ZINC001437914189 1090496735 /nfs/dbraw/zinc/49/67/35/1090496735.db2.gz CHOZHYKUMDHYIC-JFIYKMOQSA-N 1 3 347.478 2.494 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NCC[C@@H]2CCN(Cc3ccccc3F)C2)CC[N@H+]1C ZINC001437914189 1090496738 /nfs/dbraw/zinc/49/67/38/1090496738.db2.gz CHOZHYKUMDHYIC-JFIYKMOQSA-N 1 3 347.478 2.494 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1C[NH+](CC[C@@H]2CCCC2(F)F)C1 ZINC001438162484 1090676004 /nfs/dbraw/zinc/67/60/04/1090676004.db2.gz VUMNVBOCOLZFJE-HNNXBMFYSA-N 1 3 331.451 2.200 10 0 EEAEHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]Cc1cccnc1C ZINC001438321722 1090796884 /nfs/dbraw/zinc/79/68/84/1090796884.db2.gz ITHSMXVHZUFCES-KRWDZBQOSA-N 1 3 332.492 2.249 10 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ZINC001439975114 1093091877 /nfs/dbraw/zinc/09/18/77/1093091877.db2.gz QOJAIYLPUWCDOO-HUUCEWRRSA-N 1 3 349.441 2.150 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1C[N@H+](CCC(C)C)CCC1(F)F ZINC001439983174 1093104007 /nfs/dbraw/zinc/10/40/07/1093104007.db2.gz VUBHAJLOJWKIAK-HNNXBMFYSA-N 1 3 333.467 2.448 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1C[N@@H+](CCC(C)C)CCC1(F)F ZINC001439983174 1093104009 /nfs/dbraw/zinc/10/40/09/1093104009.db2.gz VUBHAJLOJWKIAK-HNNXBMFYSA-N 1 3 333.467 2.448 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@@]1(CO)CCCN([C@H](C)c2ccccc2)C1 ZINC001440176486 1093234172 /nfs/dbraw/zinc/23/41/72/1093234172.db2.gz ANJQIZUBUQIQCS-XLIONFOSSA-N 1 3 347.503 2.033 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCCN([C@H](C)c2ccccc2)C1 ZINC001440176486 1093234176 /nfs/dbraw/zinc/23/41/76/1093234176.db2.gz ANJQIZUBUQIQCS-XLIONFOSSA-N 1 3 347.503 2.033 10 0 EEAEHO Cc1cc(Cl)ccc1CN1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001448429034 1093441110 /nfs/dbraw/zinc/44/11/10/1093441110.db2.gz PRECSOJACDHKBK-NNZMDNLPSA-N 1 3 349.906 2.394 10 0 EEAEHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnc(C)s2)C1)N(C)C ZINC001440413714 1093608072 /nfs/dbraw/zinc/60/80/72/1093608072.db2.gz RYKYMXQHDXECEH-LZWOXQAQSA-N 1 3 338.521 2.166 10 0 EEAEHO CN(C)c1cccc(C[N@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001440431689 1093634819 /nfs/dbraw/zinc/63/48/19/1093634819.db2.gz VSYQJMINAMUROZ-LJQANCHMSA-N 1 3 346.519 2.127 10 0 EEAEHO CN(C)c1cccc(C[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001440431689 1093634824 /nfs/dbraw/zinc/63/48/24/1093634824.db2.gz VSYQJMINAMUROZ-LJQANCHMSA-N 1 3 346.519 2.127 10 0 EEAEHO CCCN(C)CC(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2C)C1 ZINC001440761496 1094002748 /nfs/dbraw/zinc/00/27/48/1094002748.db2.gz RRUAJEQHPBJUNM-UHFFFAOYSA-N 1 3 335.467 2.460 10 0 EEAEHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)CCc1ccccc1F ZINC001440923091 1094176667 /nfs/dbraw/zinc/17/66/67/1094176667.db2.gz IEQZSCSEBFCOLY-CRAIPNDOSA-N 1 3 347.478 2.147 10 0 EEAEHO C[NH+](C)CC1(C(=O)N[C@H]2CN(Cc3ccccc3)CC2(C)C)CC1 ZINC001441261578 1094665712 /nfs/dbraw/zinc/66/57/12/1094665712.db2.gz YITVLSGSWFYSHJ-KRWDZBQOSA-N 1 3 329.488 2.355 10 0 EEAEHO COc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C3CCC3)C2)ccc1C ZINC001441485478 1095159741 /nfs/dbraw/zinc/15/97/41/1095159741.db2.gz FXJAZQJULSTZQS-CALCHBBNSA-N 1 3 345.487 2.225 10 0 EEAEHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)c(C)n1 ZINC001441846750 1095928362 /nfs/dbraw/zinc/92/83/62/1095928362.db2.gz JDYJTOZQEAYXGV-QAPCUYQASA-N 1 3 332.492 2.166 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cc(C)ns2)C1 ZINC001442204881 1096489193 /nfs/dbraw/zinc/48/91/93/1096489193.db2.gz NKJMUOXPTPSTIY-CABCVRRESA-N 1 3 338.521 2.310 10 0 EEAEHO CC(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C(F)(F)F ZINC001442219728 1096514914 /nfs/dbraw/zinc/51/49/14/1096514914.db2.gz AWDIQLVCFKSEMX-UONOGXRCSA-N 1 3 346.397 2.367 10 0 EEAEHO CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCc1c(C)noc1C ZINC001443976137 1098493803 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ZINC001447042779 1101837022 /nfs/dbraw/zinc/83/70/22/1101837022.db2.gz KQKRNMDGRXVBLE-DLBZAZTESA-N 1 3 335.517 2.431 10 0 EEAEHO Cc1nsc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001496076736 1102017135 /nfs/dbraw/zinc/01/71/35/1102017135.db2.gz CCLLAQQKEDRQLU-LBPRGKRZSA-N 1 3 338.521 2.181 10 0 EEAEHO Cc1cncc(CN2CC[C@@H]3[C@H]2CCCN3C(=O)CCC[NH+](C)C)c1 ZINC001447163119 1102115804 /nfs/dbraw/zinc/11/58/04/1102115804.db2.gz OCCKPKJOKPBDDD-RTBURBONSA-N 1 3 344.503 2.297 10 0 EEAEHO CO[C@@H](C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1)C1CCC1 ZINC001447309244 1102423929 /nfs/dbraw/zinc/42/39/29/1102423929.db2.gz ZZPONWLCZDKITC-MSOLQXFVSA-N 1 3 339.524 2.112 10 0 EEAEHO CO[C@@H](C[N@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1)C1CCC1 ZINC001447309244 1102423932 /nfs/dbraw/zinc/42/39/32/1102423932.db2.gz ZZPONWLCZDKITC-MSOLQXFVSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)CC1 ZINC001447322348 1102445426 /nfs/dbraw/zinc/44/54/26/1102445426.db2.gz RNUAAMWDDVRDEX-RTBURBONSA-N 1 3 347.503 2.031 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)CC1 ZINC001447322348 1102445434 /nfs/dbraw/zinc/44/54/34/1102445434.db2.gz RNUAAMWDDVRDEX-RTBURBONSA-N 1 3 347.503 2.031 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)[C@@H](C)C1 ZINC001447559657 1102861949 /nfs/dbraw/zinc/86/19/49/1102861949.db2.gz BZPOVCHJMCYQDC-KXBFYZLASA-N 1 3 342.487 2.445 10 0 EEAEHO Cc1cccc(C[NH2+]CC2CC(NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001447800902 1103361599 /nfs/dbraw/zinc/36/15/99/1103361599.db2.gz YQGLNRWWJFQTBL-UHFFFAOYSA-N 1 3 329.488 2.464 10 0 EEAEHO CC(C)N(C)CC(=O)NC1CC(C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC001447819948 1103385784 /nfs/dbraw/zinc/38/57/84/1103385784.db2.gz CLOMNORZRRYDRQ-GXOAENINSA-N 1 3 329.488 2.499 10 0 EEAEHO CN(CCF)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001494204884 1103693028 /nfs/dbraw/zinc/69/30/28/1103693028.db2.gz HWSPXUYARZYBRI-DLBZAZTESA-N 1 3 325.472 2.143 10 0 EEAEHO CN(CCF)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001494204884 1103693037 /nfs/dbraw/zinc/69/30/37/1103693037.db2.gz HWSPXUYARZYBRI-DLBZAZTESA-N 1 3 325.472 2.143 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CCOc1ccccc1 ZINC001448143645 1104101091 /nfs/dbraw/zinc/10/10/91/1104101091.db2.gz KQUVCUCBTVVFDC-HKUYNNGSSA-N 1 3 347.503 2.376 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCOc1ccccc1 ZINC001448143645 1104101094 /nfs/dbraw/zinc/10/10/94/1104101094.db2.gz KQUVCUCBTVVFDC-HKUYNNGSSA-N 1 3 347.503 2.376 10 0 EEAEHO Cc1cccc(C[NH+]2CC([C@@H](C)NC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001448315108 1104373117 /nfs/dbraw/zinc/37/31/17/1104373117.db2.gz FCBNMEYONUQJMP-IAGOWNOFSA-N 1 3 329.488 2.273 10 0 EEAEHO C[C@H](NC(=O)CC[NH+](C)C)C1CN(Cc2cccc3cccnc32)C1 ZINC001448319567 1104383769 /nfs/dbraw/zinc/38/37/69/1104383769.db2.gz OZBQOPYOSDBIKK-HNNXBMFYSA-N 1 3 340.471 2.123 10 0 EEAEHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001480679492 1106870228 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EEAEHO CC(C)OCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001499480956 1112312385 /nfs/dbraw/zinc/31/23/85/1112312385.db2.gz KTFFROYEXPXULR-AEFFLSMTSA-N 1 3 348.491 2.080 10 0 EEAEHO CC(C)OCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001499480956 1112312389 /nfs/dbraw/zinc/31/23/89/1112312389.db2.gz KTFFROYEXPXULR-AEFFLSMTSA-N 1 3 348.491 2.080 10 0 EEAEHO CC(C)N1CCC(F)(F)[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001500611551 1112974622 /nfs/dbraw/zinc/97/46/22/1112974622.db2.gz VEVBUYZAHLZOIY-GJZGRUSLSA-N 1 3 331.451 2.343 10 0 EEAEHO CC(C)N1CCC(F)(F)[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001500611551 1112974624 /nfs/dbraw/zinc/97/46/24/1112974624.db2.gz VEVBUYZAHLZOIY-GJZGRUSLSA-N 1 3 331.451 2.343 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2cnc(C)s2)C1 ZINC001501083207 1113192479 /nfs/dbraw/zinc/19/24/79/1113192479.db2.gz FPUUDNHGBOGEBZ-ZFWWWQNUSA-N 1 3 338.521 2.120 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001501640628 1113411311 /nfs/dbraw/zinc/41/13/11/1113411311.db2.gz GQNFBCYXTVGYOK-CQSZACIVSA-N 1 3 331.451 2.202 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]C/C=C/Cl)C1 ZINC001501651234 1113416197 /nfs/dbraw/zinc/41/61/97/1113416197.db2.gz MPUHNXOZRBUBAV-IBBQAADRSA-N 1 3 327.900 2.442 10 0 EEAEHO Cc1cncc(C[NH+]2CCC3(CN(C(=O)CN(C)C(C)C)C3)CC2)c1 ZINC001501749498 1113461493 /nfs/dbraw/zinc/46/14/93/1113461493.db2.gz WYIXOWHDRNLNHC-UHFFFAOYSA-N 1 3 344.503 2.155 10 0 EEAEHO Cc1ccc(F)c(CN2C[C@@H]3[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]3C2)c1 ZINC001506805541 1114888429 /nfs/dbraw/zinc/88/84/29/1114888429.db2.gz PFYGOYOQIGQDQH-NNZMDNLPSA-N 1 3 347.478 2.270 10 0 EEAEHO Cc1nc(C(C)C)oc1CNC[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001506896715 1114957618 /nfs/dbraw/zinc/95/76/18/1114957618.db2.gz VMBURGSZJUMZBN-SHTZXODSSA-N 1 3 336.480 2.043 10 0 EEAEHO C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)NCc1cncs1 ZINC001507128119 1115123060 /nfs/dbraw/zinc/12/30/60/1115123060.db2.gz AVPDFPYXXPOOBG-CABCVRRESA-N 1 3 338.521 2.344 10 0 EEAEHO C[C@H]1[C@H]([NH2+]CCCCC(F)(F)F)CCN1C(=O)Cc1c[nH]cn1 ZINC001507290375 1115176210 /nfs/dbraw/zinc/17/62/10/1115176210.db2.gz XWBQIMVVEUQAIN-WCQYABFASA-N 1 3 332.370 2.264 10 0 EEAEHO O=C(NCc1ccc(CNC/C=C/Cl)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC001568118458 1124311916 /nfs/dbraw/zinc/31/19/16/1124311916.db2.gz TZURLUJRQHXVED-IJVPGBIWSA-N 1 3 347.890 2.487 10 0 EEAEHO COc1cccc(C[NH2+]CC[C@H](C)NC(=O)Cc2nc[nH]c2C)c1C ZINC001568703812 1124720777 /nfs/dbraw/zinc/72/07/77/1124720777.db2.gz VSXGCOBBSYHUPJ-ZDUSSCGKSA-N 1 3 344.459 2.262 10 0 EEAEHO Cc1ncccc1CNC/C=C/CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001568949873 1124983492 /nfs/dbraw/zinc/98/34/92/1124983492.db2.gz GMFZXLFJUTXTCQ-NIAAJLDISA-N 1 3 344.503 2.272 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC/C=C\CN[C@@H]2CCc3ccc(F)cc32)C1 ZINC001568952038 1124987480 /nfs/dbraw/zinc/98/74/80/1124987480.db2.gz UOXJMWHNCLBPAP-MMBVMTPSSA-N 1 3 345.462 2.417 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC/C=C\CN[C@@H]2CCc3ccc(F)cc32)C1 ZINC001568952038 1124987482 /nfs/dbraw/zinc/98/74/82/1124987482.db2.gz UOXJMWHNCLBPAP-MMBVMTPSSA-N 1 3 345.462 2.417 10 0 EEAEHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415950472 529965500 /nfs/dbraw/zinc/96/55/00/529965500.db2.gz DLRGLSOHQWKIKC-ZDUSSCGKSA-N 1 3 334.439 2.277 10 0 EEAEHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415950472 529965501 /nfs/dbraw/zinc/96/55/01/529965501.db2.gz DLRGLSOHQWKIKC-ZDUSSCGKSA-N 1 3 334.439 2.277 10 0 EEAEHO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN2CCC[C@@H]2C1 ZINC000195336821 296014905 /nfs/dbraw/zinc/01/49/05/296014905.db2.gz NSTSCAKWDRMEIT-RTBURBONSA-N 1 3 327.472 2.205 10 0 EEAEHO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN2CCC[C@@H]2C1 ZINC000195336821 296014909 /nfs/dbraw/zinc/01/49/09/296014909.db2.gz NSTSCAKWDRMEIT-RTBURBONSA-N 1 3 327.472 2.205 10 0 EEAEHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1cnccc1N ZINC000422733125 240199766 /nfs/dbraw/zinc/19/97/66/240199766.db2.gz ATUXFWNJGMGOAM-OAHLLOKOSA-N 1 3 328.460 2.328 10 0 EEAEHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3N)cn2)C[C@@H](C)O1 ZINC000422882980 240274077 /nfs/dbraw/zinc/27/40/77/240274077.db2.gz PUYKDFPEFHUHDS-XYVMCAHJSA-N 1 3 332.492 2.445 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352428336 162131529 /nfs/dbraw/zinc/13/15/29/162131529.db2.gz CYXBWFOPTNBELJ-VAMGGRTRSA-N 1 3 341.499 2.451 10 0 EEAEHO C[N@@H+]1CC[C@H](NCCNC(=O)c2c(F)cccc2F)[C@@H]2CCC[C@@H]21 ZINC000375804250 167199999 /nfs/dbraw/zinc/19/99/99/167199999.db2.gz HKQRYSUTXRSTSX-RCBQFDQVSA-N 1 3 337.414 2.157 10 0 EEAEHO C[N@H+]1CC[C@H](NCCNC(=O)c2c(F)cccc2F)[C@@H]2CCC[C@@H]21 ZINC000375804250 167200005 /nfs/dbraw/zinc/20/00/05/167200005.db2.gz HKQRYSUTXRSTSX-RCBQFDQVSA-N 1 3 337.414 2.157 10 0 EEAEHO CN(C(=O)NCC1([NH+](C)C)CCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000275691583 269135808 /nfs/dbraw/zinc/13/58/08/269135808.db2.gz WFUMSGDWDAPBFO-SFHVURJKSA-N 1 3 344.503 2.387 10 0 EEAEHO Cc1cc2ncn(C[C@@H](O)CN3CC[C@@]4(CC[N@@H+](C)C4)C3)c2cc1C ZINC000292063882 275370160 /nfs/dbraw/zinc/37/01/60/275370160.db2.gz CSZFVHONUBNSIT-FXAWDEMLSA-N 1 3 342.487 2.042 10 0 EEAEHO Cc1cc2ncn(C[C@@H](O)CN3CC[C@@]4(CC[N@H+](C)C4)C3)c2cc1C ZINC000292063882 275370162 /nfs/dbraw/zinc/37/01/62/275370162.db2.gz CSZFVHONUBNSIT-FXAWDEMLSA-N 1 3 342.487 2.042 10 0 EEAEHO CCN1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000246587486 279319358 /nfs/dbraw/zinc/31/93/58/279319358.db2.gz SOORBCXTIKQSRI-XYJFISCASA-N 1 3 334.508 2.129 10 0 EEAEHO CCN1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000246587486 279319361 /nfs/dbraw/zinc/31/93/61/279319361.db2.gz SOORBCXTIKQSRI-XYJFISCASA-N 1 3 334.508 2.129 10 0 EEAEHO CC1(C)[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@@H]2CCO[C@H]21 ZINC000397585614 312446704 /nfs/dbraw/zinc/44/67/04/312446704.db2.gz IYFOMXVTTIDRHP-IPMKNSEASA-N 1 3 344.499 2.417 10 0 EEAEHO O=C(NC1CCN(Cc2ccccc2)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416792240 313317969 /nfs/dbraw/zinc/31/79/69/313317969.db2.gz LCNRCEUJMDYNGV-LJQANCHMSA-N 1 3 342.487 2.187 10 0 EEAEHO CN(C)[C@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000416800645 313319988 /nfs/dbraw/zinc/31/99/88/313319988.db2.gz FQEWYWPNODKJOY-ZWKOTPCHSA-N 1 3 326.444 2.289 10 0 EEAEHO CCC(CC)[C@@H](CNC(=O)N[C@H]1CNCCC1(F)F)[NH+]1CCCC1 ZINC000416965463 313374308 /nfs/dbraw/zinc/37/43/08/313374308.db2.gz XPKYOZVAPXYVHY-CABCVRRESA-N 1 3 346.466 2.183 10 0 EEAEHO Cc1nc(NCCN2CCCC2)c(NCC[NH+]2CCCC2)nc1C ZINC000489395325 315778479 /nfs/dbraw/zinc/77/84/79/315778479.db2.gz VDHCGNGUVLCGSU-UHFFFAOYSA-N 1 3 332.496 2.109 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)N2CCCC2)cc1 ZINC000519590141 316794631 /nfs/dbraw/zinc/79/46/31/316794631.db2.gz ZRLBIJNBQZKAHS-QRQLOZEOSA-N 1 3 344.503 2.429 10 0 EEAEHO CN(C)[C@@H](CNC(=O)CCN(C)c1cc[nH+]cc1)c1ccccc1 ZINC000540928505 318084419 /nfs/dbraw/zinc/08/44/19/318084419.db2.gz ABKNGQCZPWRANF-SFHVURJKSA-N 1 3 326.444 2.327 10 0 EEAEHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000563559521 319023281 /nfs/dbraw/zinc/02/32/81/319023281.db2.gz RUMGQYIZWNPYBC-YJBOKZPZSA-N 1 3 344.503 2.121 10 0 EEAEHO C[C@H]1COCCN1C1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000576765392 320202258 /nfs/dbraw/zinc/20/22/58/320202258.db2.gz HWOGNDGLZPZING-GHTZIAJQSA-N 1 3 343.515 2.446 10 0 EEAEHO C[C@H]1COCCN1C1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000576765392 320202259 /nfs/dbraw/zinc/20/22/59/320202259.db2.gz HWOGNDGLZPZING-GHTZIAJQSA-N 1 3 343.515 2.446 10 0 EEAEHO C[C@H]1COCCN1C1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000576765392 320202260 /nfs/dbraw/zinc/20/22/60/320202260.db2.gz HWOGNDGLZPZING-GHTZIAJQSA-N 1 3 343.515 2.446 10 0 EEAEHO CS[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C[C@H]1N1CCCC1 ZINC000356030616 465287987 /nfs/dbraw/zinc/28/79/87/465287987.db2.gz SWBFSDSRXVZMKV-BRWVUGGUSA-N 1 3 339.549 2.289 10 0 EEAEHO CS[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@H+]2C)C[C@H]1N1CCCC1 ZINC000356030616 465287991 /nfs/dbraw/zinc/28/79/91/465287991.db2.gz SWBFSDSRXVZMKV-BRWVUGGUSA-N 1 3 339.549 2.289 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)N(C)C)cc1 ZINC000113605583 462606924 /nfs/dbraw/zinc/60/69/24/462606924.db2.gz LSNALJRMZLWEQD-WDSOQIARSA-N 1 3 344.503 2.476 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)N(C)C)cc1 ZINC000113605583 462606927 /nfs/dbraw/zinc/60/69/27/462606927.db2.gz LSNALJRMZLWEQD-WDSOQIARSA-N 1 3 344.503 2.476 10 0 EEAEHO NC[C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000261819465 463869147 /nfs/dbraw/zinc/86/91/47/463869147.db2.gz SDRWPACUQODJJL-QRQLOZEOSA-N 1 3 341.430 2.069 10 0 EEAEHO CC1CC[NH+](Cc2ccc(NC(=O)C3(N)CCOCC3)cc2)CC1 ZINC000261881532 463887476 /nfs/dbraw/zinc/88/74/76/463887476.db2.gz PJLQTEGJIBOEPP-UHFFFAOYSA-N 1 3 331.460 2.365 10 0 EEAEHO C[C@H]1C[C@H](NC(=O)N(C)CCC[NH+](C)C)CN1Cc1ccccc1 ZINC000186435152 463999935 /nfs/dbraw/zinc/99/99/35/463999935.db2.gz FZIXYFXRADVHFR-WMZOPIPTSA-N 1 3 332.492 2.243 10 0 EEAEHO C[C@H]1C[C@H](N(C)C(=O)C2(c3ccccc3)CC[NH2+]CC2)CCN1C ZINC000237714390 464367314 /nfs/dbraw/zinc/36/73/14/464367314.db2.gz XCUFWMCBTRYXKO-FUHWJXTLSA-N 1 3 329.488 2.249 10 0 EEAEHO CN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](C)C2)[C@@H]1c1ccccc1 ZINC000245693015 464508253 /nfs/dbraw/zinc/50/82/53/464508253.db2.gz XPWZTTYFQWKKIG-NXHRZFHOSA-N 1 3 330.476 2.073 10 0 EEAEHO CN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](C)C2)[C@@H]1c1ccccc1 ZINC000245693015 464508260 /nfs/dbraw/zinc/50/82/60/464508260.db2.gz XPWZTTYFQWKKIG-NXHRZFHOSA-N 1 3 330.476 2.073 10 0 EEAEHO C[C@H](CCNC(=O)N1CCN2CCC[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000175638819 464592546 /nfs/dbraw/zinc/59/25/46/464592546.db2.gz BETYFXGCLQLSEA-IEBWSBKVSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@H](CCNC(=O)N1CCN2CCC[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000175638819 464592549 /nfs/dbraw/zinc/59/25/49/464592549.db2.gz BETYFXGCLQLSEA-IEBWSBKVSA-N 1 3 344.503 2.387 10 0 EEAEHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H](N3CC=CC3)C2)CC1 ZINC000175766915 464619527 /nfs/dbraw/zinc/61/95/27/464619527.db2.gz BYAOWVVHNQQJGQ-IBGZPJMESA-N 1 3 348.535 2.400 10 0 EEAEHO CCC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)N(C)C ZINC000190582328 464681990 /nfs/dbraw/zinc/68/19/90/464681990.db2.gz QQQRGGIZNFYTON-ROUUACIJSA-N 1 3 332.492 2.092 10 0 EEAEHO CCC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)N(C)C ZINC000190582328 464681997 /nfs/dbraw/zinc/68/19/97/464681997.db2.gz QQQRGGIZNFYTON-ROUUACIJSA-N 1 3 332.492 2.092 10 0 EEAEHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccccc1OCCN(C)C ZINC000249732307 464909087 /nfs/dbraw/zinc/90/90/87/464909087.db2.gz BOULVVXUZYRUSP-SJORKVTESA-N 1 3 347.503 2.477 10 0 EEAEHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccccc1OCCN(C)C ZINC000249732307 464909093 /nfs/dbraw/zinc/90/90/93/464909093.db2.gz BOULVVXUZYRUSP-SJORKVTESA-N 1 3 347.503 2.477 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc2)CC1 ZINC000356739735 465514591 /nfs/dbraw/zinc/51/45/91/465514591.db2.gz JWXWZOFPLDNHKP-KRWDZBQOSA-N 1 3 346.519 2.287 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc2)CC1 ZINC000356739735 465514595 /nfs/dbraw/zinc/51/45/95/465514595.db2.gz JWXWZOFPLDNHKP-KRWDZBQOSA-N 1 3 346.519 2.287 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000340092259 465759437 /nfs/dbraw/zinc/75/94/37/465759437.db2.gz BLVCSAAQRSTVSP-VDHUWJSZSA-N 1 3 330.476 2.214 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000340092259 465759444 /nfs/dbraw/zinc/75/94/44/465759444.db2.gz BLVCSAAQRSTVSP-VDHUWJSZSA-N 1 3 330.476 2.214 10 0 EEAEHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCN1CCCOCC1 ZINC000361336647 465917733 /nfs/dbraw/zinc/91/77/33/465917733.db2.gz RCGIVRRYINFZSK-ICSRJNTNSA-N 1 3 331.504 2.209 10 0 EEAEHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCN1CCCOCC1 ZINC000361336647 465917741 /nfs/dbraw/zinc/91/77/41/465917741.db2.gz RCGIVRRYINFZSK-ICSRJNTNSA-N 1 3 331.504 2.209 10 0 EEAEHO CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000340478590 466114147 /nfs/dbraw/zinc/11/41/47/466114147.db2.gz SAZAYXQFAYKYFB-OALUTQOASA-N 1 3 327.476 2.211 10 0 EEAEHO CC[C@@H](Cn1cncn1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000340478590 466114154 /nfs/dbraw/zinc/11/41/54/466114154.db2.gz SAZAYXQFAYKYFB-OALUTQOASA-N 1 3 327.476 2.211 10 0 EEAEHO CC[C@@H](Cn1cncn1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000340478590 466114164 /nfs/dbraw/zinc/11/41/64/466114164.db2.gz SAZAYXQFAYKYFB-OALUTQOASA-N 1 3 327.476 2.211 10 0 EEAEHO c1ccc(CCOC2CC[NH+](C[C@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000662252037 472042996 /nfs/dbraw/zinc/04/29/96/472042996.db2.gz HZYWZYMYHRVBQO-LJQANCHMSA-N 1 3 330.472 2.231 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000370435859 466877940 /nfs/dbraw/zinc/87/79/40/466877940.db2.gz DOOOCAATFRVXSD-UHFFFAOYSA-N 1 3 330.476 2.159 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417536889 466879294 /nfs/dbraw/zinc/87/92/94/466879294.db2.gz RKOUIVZWRBRPRO-CALCHBBNSA-N 1 3 332.492 2.420 10 0 EEAEHO C[C@@]1(CNC(=O)N2CC[C@@H](C[NH3+])C2)CCCN1Cc1ccccc1 ZINC000418039364 467030575 /nfs/dbraw/zinc/03/05/75/467030575.db2.gz HEJLAKSNKXPKGS-HKUYNNGSSA-N 1 3 330.476 2.031 10 0 EEAEHO C[C@@]1(CNC(=O)N2CC[C@H](C[NH3+])C2)CCCN1Cc1ccccc1 ZINC000418039366 467031103 /nfs/dbraw/zinc/03/11/03/467031103.db2.gz HEJLAKSNKXPKGS-MJGOQNOKSA-N 1 3 330.476 2.031 10 0 EEAEHO C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C)[C@H](C)[NH3+] ZINC000418166632 467064008 /nfs/dbraw/zinc/06/40/08/467064008.db2.gz ZOOKYIWKYHXVEY-UXLLHSPISA-N 1 3 332.492 2.322 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@@H](F)C3)CC2)CC1 ZINC000424620930 467077544 /nfs/dbraw/zinc/07/75/44/467077544.db2.gz ADETVCMYIMHFLU-HUUCEWRRSA-N 1 3 325.472 2.190 10 0 EEAEHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000418555773 467128092 /nfs/dbraw/zinc/12/80/92/467128092.db2.gz DUIWSUUGWOGYSM-QFBILLFUSA-N 1 3 344.503 2.290 10 0 EEAEHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000418597845 467133708 /nfs/dbraw/zinc/13/37/08/467133708.db2.gz QBDSTWWPDWATLA-HKUYNNGSSA-N 1 3 346.519 2.190 10 0 EEAEHO C[C@H](CCCC[NH3+])NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418667321 467143448 /nfs/dbraw/zinc/14/34/48/467143448.db2.gz FGYAKSYJDAOBPV-SJLPKXTDSA-N 1 3 332.492 2.420 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccccc1CC[NH3+] ZINC000383445735 467380398 /nfs/dbraw/zinc/38/03/98/467380398.db2.gz IGUIFMXFIWKGJA-MRXNPFEDSA-N 1 3 325.456 2.438 10 0 EEAEHO Cc1ccc(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c(OCCN(C)C)c1 ZINC000415197305 467516561 /nfs/dbraw/zinc/51/65/61/467516561.db2.gz AQMBJWPNEIHPRZ-LSDHHAIUSA-N 1 3 334.464 2.055 10 0 EEAEHO OCCN1CCCC[C@@H]1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000449389641 467635512 /nfs/dbraw/zinc/63/55/12/467635512.db2.gz DLMXKGGUVAEWCF-OAQYLSRUSA-N 1 3 345.531 2.130 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1[nH]ccc1C1CC1 ZINC000457540392 467646601 /nfs/dbraw/zinc/64/66/01/467646601.db2.gz RRUUTKGHASAEPJ-MRXNPFEDSA-N 1 3 332.492 2.380 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1[nH]ccc1C1CC1 ZINC000457540392 467646607 /nfs/dbraw/zinc/64/66/07/467646607.db2.gz RRUUTKGHASAEPJ-MRXNPFEDSA-N 1 3 332.492 2.380 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)NCCN2CC[C@H](C)C2)CC1 ZINC000531217903 468037040 /nfs/dbraw/zinc/03/70/40/468037040.db2.gz DDDOBJFPQAFLSK-HNNXBMFYSA-N 1 3 330.476 2.064 10 0 EEAEHO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@@H]1CC1(C)C ZINC000487547911 468044126 /nfs/dbraw/zinc/04/41/26/468044126.db2.gz ATQQJUHCSGTHLA-SZMVWBNQSA-N 1 3 331.504 2.300 10 0 EEAEHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000569578021 468513815 /nfs/dbraw/zinc/51/38/15/468513815.db2.gz GDWFQMXTFFIQFA-QGTPRVQTSA-N 1 3 330.476 2.475 10 0 EEAEHO CC(C)[N@@H+]1CC[C@H](CNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000570381178 468630193 /nfs/dbraw/zinc/63/01/93/468630193.db2.gz GFGCODGJTYAIAX-QGZVFWFLSA-N 1 3 329.488 2.281 10 0 EEAEHO CC(C)[N@H+]1CC[C@H](CNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000570381178 468630198 /nfs/dbraw/zinc/63/01/98/468630198.db2.gz GFGCODGJTYAIAX-QGZVFWFLSA-N 1 3 329.488 2.281 10 0 EEAEHO CN(C)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000572346647 468919717 /nfs/dbraw/zinc/91/97/17/468919717.db2.gz HQHVFSMMDNQLMZ-MJGOQNOKSA-N 1 3 330.476 2.074 10 0 EEAEHO COc1cc(C)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1C ZINC000562569895 468993671 /nfs/dbraw/zinc/99/36/71/468993671.db2.gz XJEVLNRVMADXHW-UHFFFAOYSA-N 1 3 336.480 2.269 10 0 EEAEHO CN1CCC[C@@H](NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000593502557 469007149 /nfs/dbraw/zinc/00/71/49/469007149.db2.gz UIELEMMHENGDQY-MRXNPFEDSA-N 1 3 334.464 2.233 10 0 EEAEHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000596108944 469159594 /nfs/dbraw/zinc/15/95/94/469159594.db2.gz QQWWXTVQCUZDRZ-CZUORRHYSA-N 1 3 335.448 2.153 10 0 EEAEHO Cc1ccc(NC(=O)N[C@H]2CCCN(C)C2)c(OCC[NH+](C)C)c1 ZINC000606589915 469621220 /nfs/dbraw/zinc/62/12/20/469621220.db2.gz MZJVYXIBHJWVRK-HNNXBMFYSA-N 1 3 334.464 2.151 10 0 EEAEHO 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Cc1ccncc1C[N@H+](CCCNC(=O)[C@H]1CCCN1C)C(C)C ZINC001267505596 1179208105 /nfs/dbraw/zinc/20/81/05/1179208105.db2.gz DGTKGXTYFUCDAC-GOSISDBHSA-N 1 3 332.492 2.201 10 0 EEAEHO O=C(N[C@@H]1CCCN(CCCCCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001267937667 1180790503 /nfs/dbraw/zinc/79/05/03/1180790503.db2.gz RBBMZBFFTNTPGG-IAGOWNOFSA-N 1 3 325.472 2.049 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001481306385 1180983332 /nfs/dbraw/zinc/98/33/32/1180983332.db2.gz ORVZWGGEZKWYIQ-MRXNPFEDSA-N 1 3 325.884 2.474 10 0 EEAEHO Cc1noc(C)c1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001268152472 1181845737 /nfs/dbraw/zinc/84/57/37/1181845737.db2.gz XOJMJUZJURBYSU-AEFFLSMTSA-N 1 3 348.491 2.246 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@@H]1CCCOC1 ZINC001268165999 1181901693 /nfs/dbraw/zinc/90/16/93/1181901693.db2.gz JTNFYYJQMCNUBT-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1oncc1CNCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001268374608 1182382852 /nfs/dbraw/zinc/38/28/52/1182382852.db2.gz WVIACDTWOIPTLT-KSSFIOAISA-N 1 3 348.491 2.374 10 0 EEAEHO Cc1oncc1CNCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001268374608 1182382856 /nfs/dbraw/zinc/38/28/56/1182382856.db2.gz WVIACDTWOIPTLT-KSSFIOAISA-N 1 3 348.491 2.374 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC2CC(F)(F)C2)CC1 ZINC001481997194 1183104613 /nfs/dbraw/zinc/10/46/13/1183104613.db2.gz SQYHPXQUEXYBHT-INIZCTEOSA-N 1 3 343.462 2.344 10 0 EEAEHO Cc1cccnc1C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001482130254 1183380051 /nfs/dbraw/zinc/38/00/51/1183380051.db2.gz ONRIKVABCGDIGB-OAHLLOKOSA-N 1 3 332.492 2.106 10 0 EEAEHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNCc1cncc(C)c1 ZINC001268630126 1183555504 /nfs/dbraw/zinc/55/55/04/1183555504.db2.gz FXZWVORQXQNBGE-DUMMIQTOSA-N 1 3 330.476 2.026 10 0 EEAEHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNCc1cncc(C)c1 ZINC001268630126 1183555506 /nfs/dbraw/zinc/55/55/06/1183555506.db2.gz FXZWVORQXQNBGE-DUMMIQTOSA-N 1 3 330.476 2.026 10 0 EEAEHO CC[C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCOC(C)C ZINC001269472175 1184292504 /nfs/dbraw/zinc/29/25/04/1184292504.db2.gz WMEYPWVIVIDFPA-QAPCUYQASA-N 1 3 345.503 2.108 10 0 EEAEHO COCCC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001270719437 1185344356 /nfs/dbraw/zinc/34/43/56/1185344356.db2.gz WLZJAGZJWUMABO-IBGZPJMESA-N 1 3 339.524 2.116 10 0 EEAEHO COCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001271102003 1185887152 /nfs/dbraw/zinc/88/71/52/1185887152.db2.gz ONXNSIUXMCEFPQ-YJBOKZPZSA-N 1 3 345.503 2.062 10 0 EEAEHO COCC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001482462183 1185930835 /nfs/dbraw/zinc/93/08/35/1185930835.db2.gz RXICZLNRTZEXSE-IBGZPJMESA-N 1 3 347.503 2.369 10 0 EEAEHO C[C@@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)CN1CCCC1 ZINC001271210632 1186083883 /nfs/dbraw/zinc/08/38/83/1186083883.db2.gz YWTUKZIOXWSLKA-INIZCTEOSA-N 1 3 335.467 2.291 10 0 EEAEHO Cc1ncoc1CNCC[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001271565838 1186316011 /nfs/dbraw/zinc/31/60/11/1186316011.db2.gz JWLQAXJXNOPHTJ-INIZCTEOSA-N 1 3 348.491 2.186 10 0 EEAEHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CCC(F)(F)F ZINC001271630534 1186344602 /nfs/dbraw/zinc/34/46/02/1186344602.db2.gz ULZQLLKJRNXTFR-STQMWFEESA-N 1 3 335.414 2.107 10 0 EEAEHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001671383797 1187005034 /nfs/dbraw/zinc/00/50/34/1187005034.db2.gz FYZIAWLMZHMOFG-KRWDZBQOSA-N 1 3 333.451 2.045 10 0 EEAEHO Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)s1 ZINC001482845833 1187764696 /nfs/dbraw/zinc/76/46/96/1187764696.db2.gz UCIUVBMNKDLVJL-DOMZBBRYSA-N 1 3 326.510 2.022 10 0 EEAEHO Cc1ccc(C[NH2+]CC2CC(NC(=O)C3(N(C)C)CCC3)C2)c(C)n1 ZINC001409269642 1188410242 /nfs/dbraw/zinc/41/02/42/1188410242.db2.gz XMRSHMWIWAGETF-UHFFFAOYSA-N 1 3 344.503 2.167 10 0 EEAEHO COc1cccc(CNC/C=C\CNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001483069881 1188418031 /nfs/dbraw/zinc/41/80/31/1188418031.db2.gz PHZILLRLKSSDTR-ARJAWSKDSA-N 1 3 345.487 2.189 10 0 EEAEHO C[N@@H+]1CC[C@@H](C(=O)NC/C=C\CNCc2ccc(F)c(Cl)c2)C1 ZINC001483092926 1188461084 /nfs/dbraw/zinc/46/10/84/1188461084.db2.gz LAWFOCRATUUSAS-PYLYLYNFSA-N 1 3 339.842 2.193 10 0 EEAEHO C[N@H+]1CC[C@@H](C(=O)NC/C=C\CNCc2ccc(F)c(Cl)c2)C1 ZINC001483092926 1188461085 /nfs/dbraw/zinc/46/10/85/1188461085.db2.gz LAWFOCRATUUSAS-PYLYLYNFSA-N 1 3 339.842 2.193 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+](C)C[C@H](O)C2CC2)CC1 ZINC000809751513 1188517794 /nfs/dbraw/zinc/51/77/94/1188517794.db2.gz ILBNARUWOXWEMY-FQEVSTJZSA-N 1 3 331.504 2.421 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+](C)C[C@H](O)C2CC2)CC1 ZINC000809751513 1188517798 /nfs/dbraw/zinc/51/77/98/1188517798.db2.gz ILBNARUWOXWEMY-FQEVSTJZSA-N 1 3 331.504 2.421 10 0 EEAEHO Cc1nc(CNCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c(C)s1 ZINC001272844635 1193574159 /nfs/dbraw/zinc/57/41/59/1193574159.db2.gz HVWKQCVTVVCDSM-LRDDRELGSA-N 1 3 340.537 2.331 10 0 EEAEHO C[C@H](CNC/C=C/Cl)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001483167987 1189006298 /nfs/dbraw/zinc/00/62/98/1189006298.db2.gz JACGTEOSPVZILI-CMPDVRHESA-N 1 3 335.879 2.179 10 0 EEAEHO C[C@H](CNC/C=C/Cl)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001483167987 1189006301 /nfs/dbraw/zinc/00/63/01/1189006301.db2.gz JACGTEOSPVZILI-CMPDVRHESA-N 1 3 335.879 2.179 10 0 EEAEHO Cc1ncccc1CN[C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001485884183 1193629322 /nfs/dbraw/zinc/62/93/22/1193629322.db2.gz BBNLVFDDHSTEBG-CRAIPNDOSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1ncccc1CN[C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001485884183 1193629324 /nfs/dbraw/zinc/62/93/24/1193629324.db2.gz BBNLVFDDHSTEBG-CRAIPNDOSA-N 1 3 332.492 2.201 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1cn(C(C)C)nc1C ZINC001483232945 1189643640 /nfs/dbraw/zinc/64/36/40/1189643640.db2.gz KMUGGYGOURLQIG-YJBOKZPZSA-N 1 3 349.523 2.241 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1cn(C(C)C)nc1C ZINC001483232945 1189643644 /nfs/dbraw/zinc/64/36/44/1189643644.db2.gz KMUGGYGOURLQIG-YJBOKZPZSA-N 1 3 349.523 2.241 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)NCc2cncc(C)c2)C1 ZINC001485914342 1193638535 /nfs/dbraw/zinc/63/85/35/1193638535.db2.gz YHRCTBAZWGAGPD-IEBWSBKVSA-N 1 3 346.519 2.449 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)NCc2cncc(C)c2)C1 ZINC001485914342 1193638537 /nfs/dbraw/zinc/63/85/37/1193638537.db2.gz YHRCTBAZWGAGPD-IEBWSBKVSA-N 1 3 346.519 2.449 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCCC1(F)F)N(C)C ZINC001483263593 1190287913 /nfs/dbraw/zinc/28/79/13/1190287913.db2.gz XBKQXTSIFQLXMW-RRFJBIMHSA-N 1 3 333.467 2.492 10 0 EEAEHO CN(C)C1(C(=O)N(C)CCC[NH2+]Cc2cnn(C(C)(C)C)c2)CCC1 ZINC001483469867 1190492093 /nfs/dbraw/zinc/49/20/93/1190492093.db2.gz BJXZVZFIWQZYTN-UHFFFAOYSA-N 1 3 349.523 2.061 10 0 EEAEHO COc1cccc([C@H](C)[NH2+]C2(CNC(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC001483767178 1191000567 /nfs/dbraw/zinc/00/05/67/1191000567.db2.gz CHJSRKKFSRTTGE-HOTGVXAUSA-N 1 3 345.487 2.336 10 0 EEAEHO Cc1cc(CNCC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)on1 ZINC001484542896 1191402927 /nfs/dbraw/zinc/40/29/27/1191402927.db2.gz ZHSTXTXRDOGHJL-QGZVFWFLSA-N 1 3 348.491 2.043 10 0 EEAEHO COCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001484567144 1191420739 /nfs/dbraw/zinc/42/07/39/1191420739.db2.gz FAMWUXGAMQGMEK-BZSNNMDCSA-N 1 3 339.524 2.160 10 0 EEAEHO CC(C)CC[NH2+]CC1(NC(=O)CN(C)CC(C)(C)C)CCOCC1 ZINC001484868425 1191561234 /nfs/dbraw/zinc/56/12/34/1191561234.db2.gz MBLNRCZXDSUOPQ-UHFFFAOYSA-N 1 3 341.540 2.265 10 0 EEAEHO COCCCC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001485073358 1191643042 /nfs/dbraw/zinc/64/30/42/1191643042.db2.gz LZOJHBKZUIKYDM-GOSISDBHSA-N 1 3 339.524 2.068 10 0 EEAEHO COCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001485073358 1191643043 /nfs/dbraw/zinc/64/30/43/1191643043.db2.gz LZOJHBKZUIKYDM-GOSISDBHSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCCCC(F)(F)F ZINC001485218561 1191690052 /nfs/dbraw/zinc/69/00/52/1191690052.db2.gz VMCPZDVNWYOWLW-MNOVXSKESA-N 1 3 334.386 2.476 10 0 EEAEHO Cc1cccnc1CN[C@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001485228921 1191698262 /nfs/dbraw/zinc/69/82/62/1191698262.db2.gz FZQOQGSUCRKRJO-SJORKVTESA-N 1 3 332.492 2.249 10 0 EEAEHO COc1ccc(C[N@H+](C)[C@H](C)CNC(=O)CN(C)C(C)C)cc1C ZINC001485389058 1191775352 /nfs/dbraw/zinc/77/53/52/1191775352.db2.gz RCTFCLAZJDBFIK-MRXNPFEDSA-N 1 3 335.492 2.280 10 0 EEAEHO COc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CN(C)C(C)C)cc1C ZINC001485389058 1191775354 /nfs/dbraw/zinc/77/53/54/1191775354.db2.gz RCTFCLAZJDBFIK-MRXNPFEDSA-N 1 3 335.492 2.280 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CC(C)C)C1 ZINC001486453216 1193974999 /nfs/dbraw/zinc/97/49/99/1193974999.db2.gz XAAOPDIOMFRXTD-ZIAGYGMSSA-N 1 3 337.430 2.353 10 0 EEAEHO C[N@@H+]1CCC[C@H](CNC[C@H](O)CC(C)(C)O)[C@H]1c1cccs1 ZINC000872204604 1198084241 /nfs/dbraw/zinc/08/42/41/1198084241.db2.gz YXVXFHNVIHBEFL-FMKPAKJESA-N 1 3 326.506 2.243 10 0 EEAEHO C[N@H+]1CCC[C@H](CNC[C@H](O)CC(C)(C)O)[C@H]1c1cccs1 ZINC000872204604 1198084247 /nfs/dbraw/zinc/08/42/47/1198084247.db2.gz YXVXFHNVIHBEFL-FMKPAKJESA-N 1 3 326.506 2.243 10 0 EEAEHO COc1ccc(C)cc1C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001410872704 1198525324 /nfs/dbraw/zinc/52/53/24/1198525324.db2.gz XQAHDSUXJUQJGD-AEFFLSMTSA-N 1 3 347.503 2.423 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc(Cl)n1 ZINC000828428335 1199183460 /nfs/dbraw/zinc/18/34/60/1199183460.db2.gz WKIMBOGBLUUCME-CABCVRRESA-N 1 3 336.867 2.130 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)CCC23CC(C2)C[NH2+]3)CN1Cc1ccccc1 ZINC000870907577 1200943520 /nfs/dbraw/zinc/94/35/20/1200943520.db2.gz ZBNREWPKCWECIN-SNXQWQLTSA-N 1 3 327.472 2.298 10 0 EEAEHO Cc1ccccc1CN1CCO[C@@H](CNC2CC[NH+](C3CC3)CC2)C1 ZINC000866508073 1201535271 /nfs/dbraw/zinc/53/52/71/1201535271.db2.gz JLULNVDXRGGTNC-NRFANRHFSA-N 1 3 343.515 2.412 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C1CCC([NH2+]CCOC2CCC2)CC1 ZINC001275639646 1205457018 /nfs/dbraw/zinc/45/70/18/1205457018.db2.gz YRFLWKAQWAOJII-UHFFFAOYSA-N 1 3 339.524 2.255 10 0 EEAEHO CC[C@@H](C(=O)NC1(C[NH2+]CC[C@H]2CCOC2)CCCCC1)N(C)C ZINC001276226010 1205843584 /nfs/dbraw/zinc/84/35/84/1205843584.db2.gz HWKSTHNWLXLCEX-IRXDYDNUSA-N 1 3 339.524 2.162 10 0 EEAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000925632103 1206137887 /nfs/dbraw/zinc/13/78/87/1206137887.db2.gz ZVTPALGASOKXQE-JYBIWHBTSA-N 1 3 341.499 2.401 10 0 EEAEHO Brc1cnn(CCN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925671319 1206142116 /nfs/dbraw/zinc/14/21/16/1206142116.db2.gz PFQCNSWFQDFDSR-CABCVRRESA-N 1 3 341.297 2.404 10 0 EEAEHO Brc1cnn(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC000925671319 1206142118 /nfs/dbraw/zinc/14/21/18/1206142118.db2.gz PFQCNSWFQDFDSR-CABCVRRESA-N 1 3 341.297 2.404 10 0 EEAEHO C[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000925843414 1206159320 /nfs/dbraw/zinc/15/93/20/1206159320.db2.gz NHZJSHCHDMCTKM-GFOJFJKKSA-N 1 3 343.515 2.398 10 0 EEAEHO Fc1ccc([C@H](NCCCCC[NH+]2CCNCC2)c2ncc[nH]2)cc1 ZINC000925846124 1206159578 /nfs/dbraw/zinc/15/95/78/1206159578.db2.gz KFLOIZAZOCNEHE-SFHVURJKSA-N 1 3 345.466 2.303 10 0 EEAEHO C[C@@H](C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)N1CCCCCC1 ZINC000928834434 1206425989 /nfs/dbraw/zinc/42/59/89/1206425989.db2.gz GTCGEPDEPAHUSN-FUHWJXTLSA-N 1 3 332.492 2.455 10 0 EEAEHO C[C@@H]1C[N@H+](CCSc2ccncc2)CC[C@H]1N1CCN(C)CC1 ZINC000930135904 1206536862 /nfs/dbraw/zinc/53/68/62/1206536862.db2.gz HNAFWPBRVRTXPQ-SJLPKXTDSA-N 1 3 334.533 2.132 10 0 EEAEHO C[C@@H]1C[N@@H+](CCSc2ccncc2)CC[C@H]1N1CCN(C)CC1 ZINC000930135904 1206536863 /nfs/dbraw/zinc/53/68/63/1206536863.db2.gz HNAFWPBRVRTXPQ-SJLPKXTDSA-N 1 3 334.533 2.132 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001276339836 1215803628 /nfs/dbraw/zinc/80/36/28/1215803628.db2.gz LASNIYLYLGUQMQ-INIZCTEOSA-N 1 3 340.899 2.259 10 0 EEAEHO COCC[NH+]1CCC(NC(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000900383272 1234298344 /nfs/dbraw/zinc/29/83/44/1234298344.db2.gz QAEZSOLOQQOELC-UHFFFAOYSA-N 1 3 344.459 2.131 10 0 EEAEHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)C12CC[NH+](CC1)C2 ZINC000900535679 1234454048 /nfs/dbraw/zinc/45/40/48/1234454048.db2.gz UFELKYKKBYPHRX-SFHVURJKSA-N 1 3 327.472 2.426 10 0 EEAEHO CCCn1cc([C@@H](C)NCC2(N3CCCCC3)CC[NH+](C)CC2)nn1 ZINC000902822197 1238620211 /nfs/dbraw/zinc/62/02/11/1238620211.db2.gz RYHBSWMEDMDUSD-QGZVFWFLSA-N 1 3 348.539 2.289 10 0 EEAEHO CCCn1cc([C@@H](C)NCC2([NH+]3CCCCC3)CCN(C)CC2)nn1 ZINC000902822197 1238620215 /nfs/dbraw/zinc/62/02/15/1238620215.db2.gz RYHBSWMEDMDUSD-QGZVFWFLSA-N 1 3 348.539 2.289 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@H](Nc3ccccc3)C2)cnn1C ZINC000903899846 1242398665 /nfs/dbraw/zinc/39/86/65/1242398665.db2.gz XOLNZBSYKGSEPN-PXNSSMCTSA-N 1 3 341.503 2.422 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN2CC[C@@H](COc3ccccc3)C2)cnn1C ZINC000903902812 1242410203 /nfs/dbraw/zinc/41/02/03/1242410203.db2.gz NOMHVRFPBUTXBO-QZTJIDSGSA-N 1 3 342.487 2.247 10 0 EEAEHO Cc1c(C[C@@H](CN)C[NH2+]CCc2ccc(F)cc2Cl)cnn1C ZINC000903920064 1242497341 /nfs/dbraw/zinc/49/73/41/1242497341.db2.gz GYASEJDZRLJXOH-ZDUSSCGKSA-N 1 3 338.858 2.471 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CN[C@@H]2c3ccccc3NC2(C)C)cnn1C ZINC000903947539 1242658427 /nfs/dbraw/zinc/65/84/27/1242658427.db2.gz AFJKQNBWKRQSLP-KBXCAEBGSA-N 1 3 327.476 2.381 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001491159900 1258735900 /nfs/dbraw/zinc/73/59/00/1258735900.db2.gz FGGDAAPCSNNTCA-RBUKOAKNSA-N 1 3 331.504 2.398 10 0 EEAEHO c1cc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)n(-c2ccncc2)n1 ZINC000850134821 1277056365 /nfs/dbraw/zinc/05/63/65/1277056365.db2.gz GRQBDVOWBSJJII-IBGZPJMESA-N 1 3 341.459 2.000 10 0 EEAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](NCc1cncc(F)c1)C1CC1 ZINC001490675595 1291558971 /nfs/dbraw/zinc/55/89/71/1291558971.db2.gz YBPYIOMBHOGZRZ-ZWKOTPCHSA-N 1 3 348.466 2.080 10 0 EEAEHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](NCc1cncc(F)c1)C1CC1 ZINC001490675595 1291558979 /nfs/dbraw/zinc/55/89/79/1291558979.db2.gz YBPYIOMBHOGZRZ-ZWKOTPCHSA-N 1 3 348.466 2.080 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)C=C3CC[NH2+]CC3)cc2)CC1 ZINC000852871914 1292222819 /nfs/dbraw/zinc/22/28/19/1292222819.db2.gz FCEJPLVXGBKOOK-UHFFFAOYSA-N 1 3 328.460 2.077 10 0 EEAEHO CN(C)CCN(CCc1ccccc1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861662464 1295493217 /nfs/dbraw/zinc/49/32/17/1295493217.db2.gz AIHHLTBIXBTWFP-SFHVURJKSA-N 1 3 344.503 2.087 10 0 EEAEHO CC(C)n1ncc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1Cl ZINC000862167461 1295733912 /nfs/dbraw/zinc/73/39/12/1295733912.db2.gz WSHZQIAQXDFTND-ZDUSSCGKSA-N 1 3 343.903 2.119 10 0 EEAEHO CC(C)n1ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1Cl ZINC000862167461 1295733921 /nfs/dbraw/zinc/73/39/21/1295733921.db2.gz WSHZQIAQXDFTND-ZDUSSCGKSA-N 1 3 343.903 2.119 10 0 EEAEHO CCO[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)CN(C)C ZINC000926960118 1296969225 /nfs/dbraw/zinc/96/92/25/1296969225.db2.gz DQCFXOAMWMIYSH-SXLOBPIMSA-N 1 3 333.520 2.453 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CCOCC1 ZINC001277186592 1301721328 /nfs/dbraw/zinc/72/13/28/1301721328.db2.gz IICXMZFNJHINRE-WMZOPIPTSA-N 1 3 339.524 2.160 10 0 EEAEHO CCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C(F)(F)F ZINC001264039435 1322596061 /nfs/dbraw/zinc/59/60/61/1322596061.db2.gz VHZMMMCXDCHNHY-ZIAGYGMSSA-N 1 3 349.441 2.497 10 0 EEAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)CC[N@@H+]1CCCOC ZINC001264071759 1322605364 /nfs/dbraw/zinc/60/53/64/1322605364.db2.gz NCVZGZSDFXMACC-RCCFBDPRSA-N 1 3 339.524 2.112 10 0 EEAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)CC[N@H+]1CCCOC ZINC001264071759 1322605369 /nfs/dbraw/zinc/60/53/69/1322605369.db2.gz NCVZGZSDFXMACC-RCCFBDPRSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1cccc(OCC[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001265435921 1323154012 /nfs/dbraw/zinc/15/40/12/1323154012.db2.gz YKBXUEQOTOYEQY-HKUYNNGSSA-N 1 3 347.503 2.151 10 0 EEAEHO CC(C)COCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001265947426 1323511209 /nfs/dbraw/zinc/51/12/09/1323511209.db2.gz KOMWEIQZDXQSJA-IBGZPJMESA-N 1 3 347.503 2.225 10 0 EEAEHO CC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)Cc1cccnc1C ZINC001266083283 1323641740 /nfs/dbraw/zinc/64/17/40/1323641740.db2.gz WLADBBMIAPLATL-INIZCTEOSA-N 1 3 332.492 2.060 10 0 EEAEHO CC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)Cc1cccnc1C ZINC001266083283 1323641747 /nfs/dbraw/zinc/64/17/47/1323641747.db2.gz WLADBBMIAPLATL-INIZCTEOSA-N 1 3 332.492 2.060 10 0 EEAEHO COCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001266113847 1323681615 /nfs/dbraw/zinc/68/16/15/1323681615.db2.gz SWHCFHOUQORDDI-ROUUACIJSA-N 1 3 339.524 2.209 10 0 EEAEHO COCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001266113847 1323681617 /nfs/dbraw/zinc/68/16/17/1323681617.db2.gz SWHCFHOUQORDDI-ROUUACIJSA-N 1 3 339.524 2.209 10 0 EEAEHO CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001281684552 1325400866 /nfs/dbraw/zinc/40/08/66/1325400866.db2.gz TXPXIWKAUQWZBE-SJORKVTESA-N 1 3 327.513 2.111 10 0 EEAEHO CC(C)OCCC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001281684552 1325400869 /nfs/dbraw/zinc/40/08/69/1325400869.db2.gz TXPXIWKAUQWZBE-SJORKVTESA-N 1 3 327.513 2.111 10 0 EEAEHO C[C@H](CCCNCc1ccns1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001283229755 1325963344 /nfs/dbraw/zinc/96/33/44/1325963344.db2.gz PNINJLIPPMVPCU-ILXRZTDVSA-N 1 3 338.521 2.248 10 0 EEAEHO C[C@H](CCCNCc1ccns1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001283229755 1325963345 /nfs/dbraw/zinc/96/33/45/1325963345.db2.gz PNINJLIPPMVPCU-ILXRZTDVSA-N 1 3 338.521 2.248 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001491859257 1330276817 /nfs/dbraw/zinc/27/68/17/1330276817.db2.gz RWQDDHAXHIYPGK-HNNXBMFYSA-N 1 3 338.883 2.013 10 0 EEAEHO C[N@H+](CCCF)[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001491951543 1330342930 /nfs/dbraw/zinc/34/29/30/1330342930.db2.gz IXOIDXASPQIVPQ-YJBOKZPZSA-N 1 3 345.478 2.481 10 0 EEAEHO C[N@@H+](CCCF)[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001491951543 1330342935 /nfs/dbraw/zinc/34/29/35/1330342935.db2.gz IXOIDXASPQIVPQ-YJBOKZPZSA-N 1 3 345.478 2.481 10 0 EEAEHO CC[C@@H](C(=O)N1CC2(C[C@H]1C)CC[NH+](CCCOC)CC2)N(C)C ZINC001316672191 1331164743 /nfs/dbraw/zinc/16/47/43/1331164743.db2.gz ZQLJZTYXDHUGPC-SJORKVTESA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1ccccc1OCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001317239662 1332148652 /nfs/dbraw/zinc/14/86/52/1332148652.db2.gz CYVLCLPCUIUQMV-MSOLQXFVSA-N 1 3 347.503 2.341 10 0 EEAEHO CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CCOC2CCC2)CC1)N(C)C ZINC001317677555 1332366093 /nfs/dbraw/zinc/36/60/93/1332366093.db2.gz BNLVFXUHQIBULI-QAPCUYQASA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCC2C[NH+](CCCCc3ccccc3)C2)C1 ZINC001318153775 1332480214 /nfs/dbraw/zinc/48/02/14/1332480214.db2.gz AQDXNKFVUVHDMX-SFHVURJKSA-N 1 3 343.515 2.399 10 0 EEAEHO C[C@@H](C[NH2+]CCCCC1CCOCC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001319436893 1332701166 /nfs/dbraw/zinc/70/11/66/1332701166.db2.gz NLUNLLMBVUGVAP-WMZOPIPTSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cccnc1C[NH2+]CC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001320548878 1332907885 /nfs/dbraw/zinc/90/78/85/1332907885.db2.gz NNWJCFAMYAWSCF-INIZCTEOSA-N 1 3 334.508 2.352 10 0 EEAEHO Cc1cc(CNC/C=C\CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cs1 ZINC001321066073 1333010180 /nfs/dbraw/zinc/01/01/80/1333010180.db2.gz ZAWPRHADLRHWGO-BAHPRDJBSA-N 1 3 333.501 2.160 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@H](CC[NH2+]CCc3ccccc3)C2)C1 ZINC001326362823 1334076283 /nfs/dbraw/zinc/07/62/83/1334076283.db2.gz CTLPLBVSHJVZOI-QUCCMNQESA-N 1 3 343.515 2.399 10 0 EEAEHO CN(C[C@@H]1CCN1C[C@H]1CCC(F)(F)C1)C(=O)C1(C[NH+](C)C)CC1 ZINC001436330873 1342034692 /nfs/dbraw/zinc/03/46/92/1342034692.db2.gz NOOTTWJVPJUZCD-GJZGRUSLSA-N 1 3 343.462 2.296 10 0 EEAEHO C[NH+](C)CCCC(=O)N1CCC[C@]2(CCN(C/C=C/Cl)C2)C1 ZINC001502546002 1342208589 /nfs/dbraw/zinc/20/85/89/1342208589.db2.gz MCSNAABFMDFNJA-HFTQHKIXSA-N 1 3 327.900 2.395 10 0 EEAEHO COCCC[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001566742739 1342621641 /nfs/dbraw/zinc/62/16/41/1342621641.db2.gz BNUJCVXBPUEQHP-QGZVFWFLSA-N 1 3 341.540 2.171 10 0 EEAEHO COCCC[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001566742739 1342621644 /nfs/dbraw/zinc/62/16/44/1342621644.db2.gz BNUJCVXBPUEQHP-QGZVFWFLSA-N 1 3 341.540 2.171 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001568783128 1342854940 /nfs/dbraw/zinc/85/49/40/1342854940.db2.gz NRQZCJGOYKBWSR-OALUTQOASA-N 1 3 344.503 2.345 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001568783128 1342854941 /nfs/dbraw/zinc/85/49/41/1342854941.db2.gz NRQZCJGOYKBWSR-OALUTQOASA-N 1 3 344.503 2.345 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@H](CC[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001570004473 1342996280 /nfs/dbraw/zinc/99/62/80/1342996280.db2.gz JLESBOVPYBXABH-KBPBESRZSA-N 1 3 348.318 2.475 10 0 EEAEHO CCCN(C)CC(=O)N1CCC2(CC1)CC[NH+](CCCOC)CC2 ZINC001570486048 1343074097 /nfs/dbraw/zinc/07/40/97/1343074097.db2.gz XUBBMEMQUIJWGS-UHFFFAOYSA-N 1 3 339.524 2.069 10 0 EEAEHO C[C@@H]1C[C@H]([NH2+]CCCc2ccsc2)CN1C(=O)Cc1c[nH]cn1 ZINC001676762752 1357195513 /nfs/dbraw/zinc/19/55/13/1357195513.db2.gz NOCVMIYEKYTDSC-CJNGLKHVSA-N 1 3 332.473 2.226 10 0 EEAEHO CCOCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001656397964 1354227857 /nfs/dbraw/zinc/22/78/57/1354227857.db2.gz ASUWITPUPKRJKI-MRXNPFEDSA-N 1 3 348.491 2.082 10 0 EEAEHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCN(Cc1ccccn1)C1CC1 ZINC001660753266 1354532242 /nfs/dbraw/zinc/53/22/42/1354532242.db2.gz QBKKFAHNIVYKOO-IAGOWNOFSA-N 1 3 344.503 2.425 10 0 EEAEHO Cc1cccc(CCC[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001662721683 1354831632 /nfs/dbraw/zinc/83/16/32/1354831632.db2.gz GAOVQJUKFRBRRV-HXUWFJFHSA-N 1 3 343.515 2.462 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[C@@H]1CCC[N@@H+]1C[C@H]1CCCOC1 ZINC001663119995 1354921501 /nfs/dbraw/zinc/92/15/01/1354921501.db2.gz PHTBINKIYRGBQL-IAGOWNOFSA-N 1 3 348.491 2.048 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[C@@H]1CCC[N@H+]1C[C@H]1CCCOC1 ZINC001663119995 1354921507 /nfs/dbraw/zinc/92/15/07/1354921507.db2.gz PHTBINKIYRGBQL-IAGOWNOFSA-N 1 3 348.491 2.048 10 0 EEAEHO COCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001663624991 1355003461 /nfs/dbraw/zinc/00/34/61/1355003461.db2.gz LDLHXUPWKLQXCU-ROUUACIJSA-N 1 3 339.524 2.116 10 0 EEAEHO COCCCC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001663624991 1355003465 /nfs/dbraw/zinc/00/34/65/1355003465.db2.gz LDLHXUPWKLQXCU-ROUUACIJSA-N 1 3 339.524 2.116 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2ccc(C)c(F)c2)CC[N@@H+]1C ZINC001663942829 1355057664 /nfs/dbraw/zinc/05/76/64/1355057664.db2.gz ZBLTYNIFZQHGKR-FUHWJXTLSA-N 1 3 335.467 2.412 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2ccc(C)c(F)c2)CC[N@H+]1C ZINC001663942829 1355057671 /nfs/dbraw/zinc/05/76/71/1355057671.db2.gz ZBLTYNIFZQHGKR-FUHWJXTLSA-N 1 3 335.467 2.412 10 0 EEAEHO CCOCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001666172653 1355475866 /nfs/dbraw/zinc/47/58/66/1355475866.db2.gz KSQRGCXLBDAXHF-MSOLQXFVSA-N 1 3 339.524 2.116 10 0 EEAEHO CCN(CCNCc1cc(F)cc(F)c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001668614462 1355973572 /nfs/dbraw/zinc/97/35/72/1355973572.db2.gz VSUWOWAIDMKVHA-AWEZNQCLSA-N 1 3 339.430 2.245 10 0 EEAEHO CCN(CCNCc1cc(F)cc(F)c1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001668614462 1355973573 /nfs/dbraw/zinc/97/35/73/1355973573.db2.gz VSUWOWAIDMKVHA-AWEZNQCLSA-N 1 3 339.430 2.245 10 0 EEAEHO O=C(NC/C=C/CNC/C=C/Cl)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668865549 1356028495 /nfs/dbraw/zinc/02/84/95/1356028495.db2.gz ZVFABVNPJLFELH-KSDLPHOASA-N 1 3 325.884 2.408 10 0 EEAEHO O=C(NC/C=C/CNC/C=C/Cl)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001668865549 1356028498 /nfs/dbraw/zinc/02/84/98/1356028498.db2.gz ZVFABVNPJLFELH-KSDLPHOASA-N 1 3 325.884 2.408 10 0 EEAEHO C[C@H](C[NH2+]CC[C@@H]1CCCCO1)NC(=O)CN(C)CC(C)(C)C ZINC001669400013 1356154552 /nfs/dbraw/zinc/15/45/52/1356154552.db2.gz XTYRFCJAGSUEIO-CVEARBPZSA-N 1 3 327.513 2.018 10 0 EEAEHO Cc1cccc(OCC[NH2+]C[C@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC001671385318 1356333396 /nfs/dbraw/zinc/33/33/96/1356333396.db2.gz TZMWVJMSRRMQGW-GOSISDBHSA-N 1 3 345.487 2.050 10 0 EEAEHO O=C(CN1CCCC1)N1CC[C@@H](CC[NH2+]CC=C(Cl)Cl)C1 ZINC001672910866 1356613038 /nfs/dbraw/zinc/61/30/38/1356613038.db2.gz PHWQMNKUMPYUHT-CYBMUJFWSA-N 1 3 334.291 2.229 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+]CCc2cccs2)C1 ZINC001672916381 1356614117 /nfs/dbraw/zinc/61/41/17/1356614117.db2.gz OZSRDTNVIGTIHE-INIZCTEOSA-N 1 3 337.533 2.459 10 0 EEAEHO CC[C@@H](C)C[NH2+]CCCOC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001675149741 1356938975 /nfs/dbraw/zinc/93/89/75/1356938975.db2.gz RNDHWTSMEONWGY-SJLPKXTDSA-N 1 3 339.524 2.114 10 0 EEAEHO CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001699843814 1405523238 /nfs/dbraw/zinc/52/32/38/1405523238.db2.gz FOFMRQGQCRCLNQ-ROUUACIJSA-N 1 3 327.488 2.437 10 0 EEAEHO CCCCCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000846698030 790434775 /nfs/dbraw/zinc/43/47/75/790434775.db2.gz AOIMVIFRMBYZPN-KSZLIROESA-N 1 3 339.524 2.386 10 0 EEAEHO CS[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C[C@H]1N1CCCC1 ZINC000907349347 784576245 /nfs/dbraw/zinc/57/62/45/784576245.db2.gz FFMKIQXDCPCXNI-MWDXBVQZSA-N 1 3 337.533 2.042 10 0 EEAEHO CS[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C[C@H]1N1CCCC1 ZINC000907349347 784576251 /nfs/dbraw/zinc/57/62/51/784576251.db2.gz FFMKIQXDCPCXNI-MWDXBVQZSA-N 1 3 337.533 2.042 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc(Cl)n1 ZINC000844172894 788885786 /nfs/dbraw/zinc/88/57/86/788885786.db2.gz JDHQBGSCHPVTCT-UKRRQHHQSA-N 1 3 338.883 2.234 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc(Cl)n1 ZINC000844172894 788885796 /nfs/dbraw/zinc/88/57/96/788885796.db2.gz JDHQBGSCHPVTCT-UKRRQHHQSA-N 1 3 338.883 2.234 10 0 EEAEHO CCCOCc1ccccc1CNC(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495263 789652779 /nfs/dbraw/zinc/65/27/79/789652779.db2.gz AALAUFJDTFCSHX-SJORKVTESA-N 1 3 347.503 2.146 10 0 EEAEHO COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923498817 789681378 /nfs/dbraw/zinc/68/13/78/789681378.db2.gz LSMRPKYRWXRERX-YHUYYLMFSA-N 1 3 333.476 2.178 10 0 EEAEHO Cc1cc(C)c(CCNC(=O)CN2CC[C@@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC000923499270 789682478 /nfs/dbraw/zinc/68/24/78/789682478.db2.gz RTLZJXQLDWOFJS-MSOLQXFVSA-N 1 3 331.504 2.187 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCN1C ZINC000923511879 789698803 /nfs/dbraw/zinc/69/88/03/789698803.db2.gz YIMMSZLSHPGIMT-FPAYPSAMSA-N 1 3 344.503 2.146 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCN1C ZINC000923511879 789698807 /nfs/dbraw/zinc/69/88/07/789698807.db2.gz YIMMSZLSHPGIMT-FPAYPSAMSA-N 1 3 344.503 2.146 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CCN1C ZINC000921617955 789933870 /nfs/dbraw/zinc/93/38/70/789933870.db2.gz UUUYIFPMUZOYEK-AQEOSJORSA-N 1 3 336.524 2.421 10 0 EEAEHO C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](CNCC=C(Cl)Cl)C1 ZINC001565977854 1125480254 /nfs/dbraw/zinc/48/02/54/1125480254.db2.gz NNSABODSEKHDFX-MCIONIFRSA-N 1 3 348.318 2.474 10 0 EEAEHO C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](CNCC=C(Cl)Cl)C1 ZINC001565977854 1125480261 /nfs/dbraw/zinc/48/02/61/1125480261.db2.gz NNSABODSEKHDFX-MCIONIFRSA-N 1 3 348.318 2.474 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]Cc1ccc2c(c1)COC2)C1CC1 ZINC001436830226 1088440055 /nfs/dbraw/zinc/44/00/55/1088440055.db2.gz FIKUKIVGYLNLKE-LJQANCHMSA-N 1 3 345.487 2.041 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CCC(F)(F)F)C1 ZINC001436838264 1088465707 /nfs/dbraw/zinc/46/57/07/1088465707.db2.gz RKFFSWZABGJWGH-KBPBESRZSA-N 1 3 335.414 2.203 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CCC(F)(F)F)C1 ZINC001436838264 1088465713 /nfs/dbraw/zinc/46/57/13/1088465713.db2.gz RKFFSWZABGJWGH-KBPBESRZSA-N 1 3 335.414 2.203 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001437262467 1089405355 /nfs/dbraw/zinc/40/53/55/1089405355.db2.gz PCRIPXVBBWYEBD-PXAZEXFGSA-N 1 3 339.430 2.387 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC001437325273 1089491854 /nfs/dbraw/zinc/49/18/54/1089491854.db2.gz QZEPLKAZJRUUAR-HOTGVXAUSA-N 1 3 336.455 2.078 10 0 EEAEHO Cc1ccncc1C[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001437326002 1089494159 /nfs/dbraw/zinc/49/41/59/1089494159.db2.gz SFHUKZPXTQJFCO-ZWKOTPCHSA-N 1 3 332.492 2.247 10 0 EEAEHO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001437723947 1090277533 /nfs/dbraw/zinc/27/75/33/1090277533.db2.gz GGSCZDYJXMPCLY-HKUYNNGSSA-N 1 3 329.488 2.275 10 0 EEAEHO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001437723947 1090277538 /nfs/dbraw/zinc/27/75/38/1090277538.db2.gz GGSCZDYJXMPCLY-HKUYNNGSSA-N 1 3 329.488 2.275 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]Cc1cncc(C)c1 ZINC001438304225 1090783359 /nfs/dbraw/zinc/78/33/59/1090783359.db2.gz MUAPAILFLLDKRS-ROUUACIJSA-N 1 3 332.492 2.247 10 0 EEAEHO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CN(CCCC(C)(C)C)CCO1 ZINC001438576602 1091063328 /nfs/dbraw/zinc/06/33/28/1091063328.db2.gz XWZKZNMDSBWAEC-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CN(CCCC(C)(C)C)CCO1 ZINC001438576602 1091063336 /nfs/dbraw/zinc/06/33/36/1091063336.db2.gz XWZKZNMDSBWAEC-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001438680813 1091177708 /nfs/dbraw/zinc/17/77/08/1091177708.db2.gz IMVHFDZFXWYVOD-HOCLYGCPSA-N 1 3 335.467 2.412 10 0 EEAEHO Cc1cc(C[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C(C)C)sn1 ZINC001438851144 1091488501 /nfs/dbraw/zinc/48/85/01/1091488501.db2.gz QDCHPIKJQCITBR-HNNXBMFYSA-N 1 3 326.510 2.022 10 0 EEAEHO CC[NH+]1CCC(N(Cc2ccccn2)C(=O)CN(C)C2CCC2)CC1 ZINC001440125680 1093186970 /nfs/dbraw/zinc/18/69/70/1093186970.db2.gz BVQXTWPWCBJKNF-UHFFFAOYSA-N 1 3 344.503 2.379 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@]1(CO)CCCN([C@H](C)c2ccccc2)C1 ZINC001440176491 1093233770 /nfs/dbraw/zinc/23/37/70/1093233770.db2.gz ANJQIZUBUQIQCS-YLJYHZDGSA-N 1 3 347.503 2.033 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@]1(CO)CCCN([C@H](C)c2ccccc2)C1 ZINC001440176491 1093233775 /nfs/dbraw/zinc/23/37/75/1093233775.db2.gz ANJQIZUBUQIQCS-YLJYHZDGSA-N 1 3 347.503 2.033 10 0 EEAEHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1(NCc2ccccn2)CCC1 ZINC001440351346 1093504394 /nfs/dbraw/zinc/50/43/94/1093504394.db2.gz FYYIXXDHPDIXKX-HOTGVXAUSA-N 1 3 330.476 2.083 10 0 EEAEHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(F)(F)F)C1)N(C)C ZINC001440406761 1093596156 /nfs/dbraw/zinc/59/61/56/1093596156.db2.gz SXEOUWKAHDDBQI-MJBXVCDLSA-N 1 3 337.430 2.400 10 0 EEAEHO CN(CC(=O)NC1CC(C[NH2+]Cc2cc(C3CC3)no2)C1)C1CCC1 ZINC001440759703 1094001938 /nfs/dbraw/zinc/00/19/38/1094001938.db2.gz SPHBXCVKJHVBPZ-UHFFFAOYSA-N 1 3 346.475 2.021 10 0 EEAEHO Cc1ccncc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001440818556 1094071850 /nfs/dbraw/zinc/07/18/50/1094071850.db2.gz IHAULMBXCHBFTO-JKSUJKDBSA-N 1 3 332.492 2.247 10 0 EEAEHO CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]CCC(F)(F)F)C(C)(C)C1)N(C)C ZINC001449086954 1094099710 /nfs/dbraw/zinc/09/97/10/1094099710.db2.gz IXTKCPVJYQIHDD-STQMWFEESA-N 1 3 337.430 2.352 10 0 EEAEHO CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC(NCc2ccns2)C1 ZINC001449388191 1094362479 /nfs/dbraw/zinc/36/24/79/1094362479.db2.gz SDMBTWDSFRDHBB-SLTAFYQDSA-N 1 3 336.505 2.097 10 0 EEAEHO CN(C(=O)CC[C@@H]1CCC[N@H+]1C)C1CC(NCc2ccns2)C1 ZINC001449388191 1094362484 /nfs/dbraw/zinc/36/24/84/1094362484.db2.gz SDMBTWDSFRDHBB-SLTAFYQDSA-N 1 3 336.505 2.097 10 0 EEAEHO CC[C@H](C(=O)NC1(C2CC[NH+](CCOC(C)C)CC2)CC1)N(C)C ZINC001449411739 1094395369 /nfs/dbraw/zinc/39/53/69/1094395369.db2.gz QQACLLZHIZCUFQ-QGZVFWFLSA-N 1 3 339.524 2.112 10 0 EEAEHO CO[C@@H](C)CN(C)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001442105815 1096332206 /nfs/dbraw/zinc/33/22/06/1096332206.db2.gz PZLOTOSLIMBPDI-DLBZAZTESA-N 1 3 327.513 2.063 10 0 EEAEHO CO[C@@H](C)CN(C)CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001442105815 1096332207 /nfs/dbraw/zinc/33/22/07/1096332207.db2.gz PZLOTOSLIMBPDI-DLBZAZTESA-N 1 3 327.513 2.063 10 0 EEAEHO Cc1nsc(C)c1CNC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001442185011 1096455165 /nfs/dbraw/zinc/45/51/65/1096455165.db2.gz QOPPUHLYAPMUTO-OAHLLOKOSA-N 1 3 340.537 2.332 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C)ns2)C1 ZINC001442204885 1096489242 /nfs/dbraw/zinc/48/92/42/1096489242.db2.gz NKJMUOXPTPSTIY-HUUCEWRRSA-N 1 3 338.521 2.310 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCC(F)(F)F)C1 ZINC001442261178 1096564250 /nfs/dbraw/zinc/56/42/50/1096564250.db2.gz RWTZFVAGOPDEKA-JXQTWKCFSA-N 1 3 335.414 2.392 10 0 EEAEHO C[C@H](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1ccc(F)cn1 ZINC001442361232 1096683745 /nfs/dbraw/zinc/68/37/45/1096683745.db2.gz WUJJHAJCZREVEL-PBHICJAKSA-N 1 3 336.455 2.080 10 0 EEAEHO C[C@H](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1ccc(F)cn1 ZINC001442361232 1096683751 /nfs/dbraw/zinc/68/37/51/1096683751.db2.gz WUJJHAJCZREVEL-PBHICJAKSA-N 1 3 336.455 2.080 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](CCCOC(C)C)CC2)N(C)C ZINC001479986505 1099445704 /nfs/dbraw/zinc/44/57/04/1099445704.db2.gz LCOTXPNCMZSMNJ-IRXDYDNUSA-N 1 3 339.524 2.112 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC001480234200 1099861576 /nfs/dbraw/zinc/86/15/76/1099861576.db2.gz ZXQQHJPJTZDLKZ-HDICACEKSA-N 1 3 340.471 2.313 10 0 EEAEHO CC1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCN(C/C=C/Cl)CC1 ZINC001446630551 1101139485 /nfs/dbraw/zinc/13/94/85/1101139485.db2.gz UQWSINHJPDUZNY-BGGTUALNSA-N 1 3 339.911 2.299 10 0 EEAEHO CC(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)NCCF ZINC001496561399 1101162390 /nfs/dbraw/zinc/16/23/90/1101162390.db2.gz KMARCNFCVLJTOP-DOTOQJQBSA-N 1 3 327.488 2.341 10 0 EEAEHO CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)NCCF ZINC001496561399 1101162393 /nfs/dbraw/zinc/16/23/93/1101162393.db2.gz KMARCNFCVLJTOP-DOTOQJQBSA-N 1 3 327.488 2.341 10 0 EEAEHO C[C@H](F)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001446724153 1101294937 /nfs/dbraw/zinc/29/49/37/1101294937.db2.gz DUKCRSNSAOAGDQ-UONOGXRCSA-N 1 3 349.441 2.292 10 0 EEAEHO C[C@H](F)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001446724153 1101294941 /nfs/dbraw/zinc/29/49/41/1101294941.db2.gz DUKCRSNSAOAGDQ-UONOGXRCSA-N 1 3 349.441 2.292 10 0 EEAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[C@H](CNCc2ccon2)CC1 ZINC001447092074 1101974388 /nfs/dbraw/zinc/97/43/88/1101974388.db2.gz UMZCYQGMVFHSLL-JFIYKMOQSA-N 1 3 348.491 2.314 10 0 EEAEHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[C@H](CNCc2ccon2)CC1 ZINC001447092074 1101974394 /nfs/dbraw/zinc/97/43/94/1101974394.db2.gz UMZCYQGMVFHSLL-JFIYKMOQSA-N 1 3 348.491 2.314 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCc2cncc(C)c2)CC[N@@H+]1C ZINC001496063834 1101999784 /nfs/dbraw/zinc/99/97/84/1101999784.db2.gz LPQAVSJROZEYTJ-RYQLBKOJSA-N 1 3 332.492 2.057 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCc2cncc(C)c2)CC[N@H+]1C ZINC001496063834 1101999791 /nfs/dbraw/zinc/99/97/91/1101999791.db2.gz LPQAVSJROZEYTJ-RYQLBKOJSA-N 1 3 332.492 2.057 10 0 EEAEHO C[C@@H](C[NH2+]CCCc1ccsc1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001496154966 1102146857 /nfs/dbraw/zinc/14/68/57/1102146857.db2.gz RDKJYHVLBHCDRU-HOTGVXAUSA-N 1 3 337.533 2.459 10 0 EEAEHO CCN(CC[NH2+]C/C=C\Cl)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001497453289 1102511759 /nfs/dbraw/zinc/51/17/59/1102511759.db2.gz ADQRTMRLTPNRAR-IOBAAEILSA-N 1 3 333.879 2.390 10 0 EEAEHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001497766695 1103064527 /nfs/dbraw/zinc/06/45/27/1103064527.db2.gz VVLORYHFTSFYOC-SHCNBLLESA-N 1 3 333.451 2.415 10 0 EEAEHO COCCC[N@H+](C)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001494205631 1103695802 /nfs/dbraw/zinc/69/58/02/1103695802.db2.gz FWIOBUHPGHXBPP-UHFFFAOYSA-N 1 3 341.540 2.171 10 0 EEAEHO COCCC[N@@H+](C)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001494205631 1103695808 /nfs/dbraw/zinc/69/58/08/1103695808.db2.gz FWIOBUHPGHXBPP-UHFFFAOYSA-N 1 3 341.540 2.171 10 0 EEAEHO C[C@@H](CNCc1cncc(F)c1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001498042969 1106824381 /nfs/dbraw/zinc/82/43/81/1106824381.db2.gz AJFIROGSENUVBL-AWEZNQCLSA-N 1 3 336.455 2.080 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@@H]1CCc2c1c(F)ccc2F ZINC001498152471 1106991927 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CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1cccc(F)c1 ZINC001493612421 1108403326 /nfs/dbraw/zinc/40/33/26/1108403326.db2.gz CSONLBPEMGUKSS-GOSISDBHSA-N 1 3 335.467 2.494 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1cccc(F)c1 ZINC001493612421 1108403335 /nfs/dbraw/zinc/40/33/35/1108403335.db2.gz CSONLBPEMGUKSS-GOSISDBHSA-N 1 3 335.467 2.494 10 0 EEAEHO Cc1ncoc1CN(CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001493869537 1108762852 /nfs/dbraw/zinc/76/28/52/1108762852.db2.gz CPOSLKLAMFLTDG-OAHLLOKOSA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1ncoc1CN(CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001493869537 1108762858 /nfs/dbraw/zinc/76/28/58/1108762858.db2.gz CPOSLKLAMFLTDG-OAHLLOKOSA-N 1 3 336.480 2.042 10 0 EEAEHO CC1CCC(CN2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)CC1 ZINC001472959451 1110568386 /nfs/dbraw/zinc/56/83/86/1110568386.db2.gz QEOSNHHKZNUBTO-FAFZWHIHSA-N 1 3 333.520 2.299 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H]2C[C@@H]([NH2+]CCCF)C2)C1 ZINC001479321840 1110681166 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329.488 2.451 10 0 EEAEHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccnc(Cl)c2)CCC1)N(C)C ZINC001502017412 1113560818 /nfs/dbraw/zinc/56/08/18/1113560818.db2.gz JCBVYBOAMKWWDW-CQSZACIVSA-N 1 3 338.883 2.204 10 0 EEAEHO Cc1ccc(CN2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C)c(C)n1 ZINC001502967897 1113865020 /nfs/dbraw/zinc/86/50/20/1113865020.db2.gz KKDOERGIXJANHN-MAUKXSAKSA-N 1 3 332.492 2.119 10 0 EEAEHO CC[C@@H](C)CN1CCO[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001506723428 1114833706 /nfs/dbraw/zinc/83/37/06/1114833706.db2.gz JVWUGHPLFWUQAW-IEBWSBKVSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1cnc(CNCCC[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)s1 ZINC001506938649 1114988536 /nfs/dbraw/zinc/98/85/36/1114988536.db2.gz UVSLFBGXWWCAHZ-UONOGXRCSA-N 1 3 338.521 2.168 10 0 EEAEHO Cc1cnc(CNCCC[C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)s1 ZINC001506938649 1114988538 /nfs/dbraw/zinc/98/85/38/1114988538.db2.gz UVSLFBGXWWCAHZ-UONOGXRCSA-N 1 3 338.521 2.168 10 0 EEAEHO CC(C)OCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001507339212 1115202914 /nfs/dbraw/zinc/20/29/14/1115202914.db2.gz MMGNBDSPRLVKPM-LPHOPBHVSA-N 1 3 347.503 2.366 10 0 EEAEHO CC1CCN(CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCCF)[C@@H]3C2)CC1 ZINC001507363895 1115224133 /nfs/dbraw/zinc/22/41/33/1115224133.db2.gz NJBMYNMRNGHVBD-KSZLIROESA-N 1 3 339.499 2.295 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)C(C)(C)C1 ZINC001507453386 1115278861 /nfs/dbraw/zinc/27/88/61/1115278861.db2.gz HGKPHQVEWCCIFM-CQSZACIVSA-N 1 3 331.451 2.199 10 0 EEAEHO C[C@H]1CCN(CC(=O)N[C@@](C)(C[NH2+]CCC(F)(F)F)C2CC2)C1 ZINC001568027626 1124237228 /nfs/dbraw/zinc/23/72/28/1124237228.db2.gz FLHJWDUAYANONK-WFASDCNBSA-N 1 3 335.414 2.155 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CCc1ccc(Cl)cc1 ZINC001568146565 1124326248 /nfs/dbraw/zinc/32/62/48/1124326248.db2.gz KQNSNJRXZZIIPX-QGZVFWFLSA-N 1 3 346.862 2.429 10 0 EEAEHO C[C@@H](CCNCc1cccc(F)c1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001568671639 1124685129 /nfs/dbraw/zinc/68/51/29/1124685129.db2.gz VTCPEWOZCHTHCI-ZDUSSCGKSA-N 1 3 339.430 2.291 10 0 EEAEHO C[C@@H](CC[NH2+]CCC(F)(F)F)NC(=O)CN(C)CC(C)(C)C ZINC001568677787 1124689543 /nfs/dbraw/zinc/68/95/43/1124689543.db2.gz GQZGSGOLHQRMAZ-LBPRGKRZSA-N 1 3 325.419 2.401 10 0 EEAEHO CCN(CCNCc1ccccc1OC(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568797636 1124812443 /nfs/dbraw/zinc/81/24/43/1124812443.db2.gz JPHQUEJLFPSPLF-GOSISDBHSA-N 1 3 347.503 2.364 10 0 EEAEHO CCN(CCNCc1ccccc1OC(C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001568797636 1124812461 /nfs/dbraw/zinc/81/24/61/1124812461.db2.gz JPHQUEJLFPSPLF-GOSISDBHSA-N 1 3 347.503 2.364 10 0 EEAEHO COc1cc(C[NH2+]C/C=C\CNC(=O)CN2CC[C@H](C)C2)ccc1C ZINC001568919852 1124948001 /nfs/dbraw/zinc/94/80/01/1124948001.db2.gz JWBGGDSNSIJRLK-AWFCHZOYSA-N 1 3 345.487 2.107 10 0 EEAEHO COc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)ccc1C ZINC001569189226 1125153833 /nfs/dbraw/zinc/15/38/33/1125153833.db2.gz XAVIJRVFSHSYPK-KRWDZBQOSA-N 1 3 333.476 2.036 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001569239417 1125187155 /nfs/dbraw/zinc/18/71/55/1125187155.db2.gz BOLCTEBTEIGZQW-QGZVFWFLSA-N 1 3 343.515 2.455 10 0 EEAEHO C[C@@H](NCCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)c1cnccn1 ZINC001569246752 1125192643 /nfs/dbraw/zinc/19/26/43/1125192643.db2.gz OITYYCWWNQOVRU-IAGOWNOFSA-N 1 3 347.507 2.240 10 0 EEAEHO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc4c(c3F)CCNC4)CC[C@@H]21 ZINC000415952069 530058482 /nfs/dbraw/zinc/05/84/82/530058482.db2.gz GXEHEWMPDVWUPA-PBHICJAKSA-N 1 3 346.450 2.419 10 0 EEAEHO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc4c(c3F)CCNC4)CC[C@@H]21 ZINC000415952069 530058483 /nfs/dbraw/zinc/05/84/83/530058483.db2.gz GXEHEWMPDVWUPA-PBHICJAKSA-N 1 3 346.450 2.419 10 0 EEAEHO CN1CC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1ccccc1 ZINC000248656444 283046529 /nfs/dbraw/zinc/04/65/29/283046529.db2.gz DBXJBPUFKXCTAW-RTBURBONSA-N 1 3 327.472 2.422 10 0 EEAEHO CCOC(=O)c1csc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000423072227 240351355 /nfs/dbraw/zinc/35/13/55/240351355.db2.gz PLTRYKUEKVVYJH-MCIONIFRSA-N 1 3 337.489 2.373 10 0 EEAEHO CCOc1cc(CC[NH3+])cc(Br)c1OCCN(C)C ZINC000037719884 213163283 /nfs/dbraw/zinc/16/32/83/213163283.db2.gz MXRLMCCWCRXFBW-UHFFFAOYSA-N 1 3 331.254 2.289 10 0 EEAEHO CCNC(=O)N1CC[C@H](N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000272854693 256243732 /nfs/dbraw/zinc/24/37/32/256243732.db2.gz TVAWWTTVEFONCP-QRQLOZEOSA-N 1 3 344.503 2.290 10 0 EEAEHO CCNC(=O)N1CC[C@H](N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000272854693 256243733 /nfs/dbraw/zinc/24/37/33/256243733.db2.gz TVAWWTTVEFONCP-QRQLOZEOSA-N 1 3 344.503 2.290 10 0 EEAEHO CN(C)c1ccncc1CNC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328649293 258021414 /nfs/dbraw/zinc/02/14/14/258021414.db2.gz UWWKCQSUGBMBGL-LPHOPBHVSA-N 1 3 325.460 2.325 10 0 EEAEHO CN(C)c1ccncc1CNC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328649293 258021415 /nfs/dbraw/zinc/02/14/15/258021415.db2.gz UWWKCQSUGBMBGL-LPHOPBHVSA-N 1 3 325.460 2.325 10 0 EEAEHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252441824 160392569 /nfs/dbraw/zinc/39/25/69/160392569.db2.gz AWAACQPUAQMKBU-OALUTQOASA-N 1 3 342.487 2.313 10 0 EEAEHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000252441824 160392571 /nfs/dbraw/zinc/39/25/71/160392571.db2.gz AWAACQPUAQMKBU-OALUTQOASA-N 1 3 342.487 2.313 10 0 EEAEHO CCN1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000130753226 292378197 /nfs/dbraw/zinc/37/81/97/292378197.db2.gz LRPUNIBLFOKYNJ-ROUUACIJSA-N 1 3 338.540 2.480 10 0 EEAEHO CCN1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000130753226 292378198 /nfs/dbraw/zinc/37/81/98/292378198.db2.gz LRPUNIBLFOKYNJ-ROUUACIJSA-N 1 3 338.540 2.480 10 0 EEAEHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCCN(C2CC2)CC1 ZINC000194670932 160198245 /nfs/dbraw/zinc/19/82/45/160198245.db2.gz AYCMGFOSZFDNCY-GOSISDBHSA-N 1 3 344.503 2.039 10 0 EEAEHO C[C@H]([NH2+]C[C@H](O)CN1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274908599 269073451 /nfs/dbraw/zinc/07/34/51/269073451.db2.gz MOSJNUYQCQCKIE-JBACZVJFSA-N 1 3 345.531 2.333 10 0 EEAEHO C[NH2+][C@H]1CCN(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000416910249 313357566 /nfs/dbraw/zinc/35/75/66/313357566.db2.gz ZCMHHVGKUXFLNN-SFHVURJKSA-N 1 3 330.476 2.176 10 0 EEAEHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccco1 ZINC000418173566 313735232 /nfs/dbraw/zinc/73/52/32/313735232.db2.gz YOQATUYSIVLLSK-YHUYYLMFSA-N 1 3 334.464 2.102 10 0 EEAEHO O=C(NC[C@@H]1CCN1C1CCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000527896692 317283198 /nfs/dbraw/zinc/28/31/98/317283198.db2.gz SPVAPKDQVHYBGQ-NXYGQSRBSA-N 1 3 334.508 2.319 10 0 EEAEHO COc1cccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1OC ZINC000530247576 317704393 /nfs/dbraw/zinc/70/43/93/317704393.db2.gz ATTOEIDQUUJYOC-QGZVFWFLSA-N 1 3 334.460 2.294 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCC[NH+](C)C ZINC000541809268 318109824 /nfs/dbraw/zinc/10/98/24/318109824.db2.gz BARMKSLSERVZHN-HKUYNNGSSA-N 1 3 346.519 2.490 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000581019745 324170814 /nfs/dbraw/zinc/17/08/14/324170814.db2.gz CNTMOZFUQPVKQT-KRWDZBQOSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@H](CN1CCC(C)CC1)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000582133570 324387874 /nfs/dbraw/zinc/38/78/74/324387874.db2.gz BSSSNHOZKIHTNH-GOSISDBHSA-N 1 3 346.519 2.320 10 0 EEAEHO O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000355223681 465235171 /nfs/dbraw/zinc/23/51/71/465235171.db2.gz LIUXYSCTWQZKJF-LXPRWKDFSA-N 1 3 334.508 2.273 10 0 EEAEHO COc1ccccc1[C@H](O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298481857 465407023 /nfs/dbraw/zinc/40/70/23/465407023.db2.gz PMUKTNPUPINYCY-GOSISDBHSA-N 1 3 327.428 2.382 10 0 EEAEHO OCC[NH+]1CCC(CNCc2cc(F)ccc2Br)CC1 ZINC000089768486 462717118 /nfs/dbraw/zinc/71/71/18/462717118.db2.gz WQOORACJPBOINL-UHFFFAOYSA-N 1 3 345.256 2.382 10 0 EEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000157230046 463110317 /nfs/dbraw/zinc/11/03/17/463110317.db2.gz REEYNPVJCJSDHB-QAPCUYQASA-N 1 3 332.492 2.276 10 0 EEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000157230046 463110322 /nfs/dbraw/zinc/11/03/22/463110322.db2.gz REEYNPVJCJSDHB-QAPCUYQASA-N 1 3 332.492 2.276 10 0 EEAEHO Cn1cc(-c2nc([C@@H]3CCCCCN3CC3CC[NH2+]CC3)no2)cn1 ZINC000261648305 463815187 /nfs/dbraw/zinc/81/51/87/463815187.db2.gz AVDNUYWZDVLWGQ-INIZCTEOSA-N 1 3 344.463 2.387 10 0 EEAEHO COC1(C[C@H](C)[NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)CCC1 ZINC000276999065 463835668 /nfs/dbraw/zinc/83/56/68/463835668.db2.gz ACWLWKRRNAZAMT-INIZCTEOSA-N 1 3 347.503 2.415 10 0 EEAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCCN(C3CC3)CC2)C1 ZINC000194661055 463903936 /nfs/dbraw/zinc/90/39/36/463903936.db2.gz ARTDBWWULVEWQZ-IAGOWNOFSA-N 1 3 336.524 2.234 10 0 EEAEHO CCC(CC)[C@@H](CNC(=O)N1CCN2CCC[C@@H]2C1)[NH+]1CCCC1 ZINC000171899989 463945007 /nfs/dbraw/zinc/94/50/07/463945007.db2.gz YXZFEWGTVCVZSG-QZTJIDSGSA-N 1 3 336.524 2.377 10 0 EEAEHO CC1(C)CN(C(=O)C2CCN(Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000262168283 463962671 /nfs/dbraw/zinc/96/26/71/463962671.db2.gz YJAUNUCHFIRFJZ-SFHVURJKSA-N 1 3 329.488 2.484 10 0 EEAEHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000568812473 468389675 /nfs/dbraw/zinc/38/96/75/468389675.db2.gz QEJRFIJUMUJNSP-JQHSSLGASA-N 1 3 332.492 2.460 10 0 EEAEHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000568812473 468389678 /nfs/dbraw/zinc/38/96/78/468389678.db2.gz QEJRFIJUMUJNSP-JQHSSLGASA-N 1 3 332.492 2.460 10 0 EEAEHO C[C@@H]1CCC[C@](CNC(=O)N2CC[C@H](N3CC=CC3)C2)([NH+](C)C)C1 ZINC000174230146 464380438 /nfs/dbraw/zinc/38/04/38/464380438.db2.gz DJFBTMCMQZCFQN-AOIWGVFYSA-N 1 3 334.508 2.153 10 0 EEAEHO C[C@H](O)CCCN1CCCC2(CCC[N@H+](CCC[C@H](C)O)C2)C1 ZINC000352027948 465470494 /nfs/dbraw/zinc/47/04/94/465470494.db2.gz NPSCTUVUYMPHHM-ADUPEVMXSA-N 1 3 326.525 2.486 10 0 EEAEHO C[C@H](O)CCCN1CCCC2(CCC[N@@H+](CCC[C@H](C)O)C2)C1 ZINC000352027948 465470499 /nfs/dbraw/zinc/47/04/99/465470499.db2.gz NPSCTUVUYMPHHM-ADUPEVMXSA-N 1 3 326.525 2.486 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000246489945 464591187 /nfs/dbraw/zinc/59/11/87/464591187.db2.gz RQGJJWCWCOTGAT-TVFCKZIOSA-N 1 3 338.540 2.479 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000246489945 464591190 /nfs/dbraw/zinc/59/11/90/464591190.db2.gz RQGJJWCWCOTGAT-TVFCKZIOSA-N 1 3 338.540 2.479 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175943599 464664489 /nfs/dbraw/zinc/66/44/89/464664489.db2.gz JBSFFVWYFGIALB-FHWLQOOXSA-N 1 3 346.519 2.331 10 0 EEAEHO CCC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N(C)C ZINC000192231221 464890777 /nfs/dbraw/zinc/89/07/77/464890777.db2.gz RVBSRXJDOGOTKZ-MOPGFXCFSA-N 1 3 347.503 2.124 10 0 EEAEHO CCC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N(C)C ZINC000192231221 464890781 /nfs/dbraw/zinc/89/07/81/464890781.db2.gz RVBSRXJDOGOTKZ-MOPGFXCFSA-N 1 3 347.503 2.124 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000362469888 465765154 /nfs/dbraw/zinc/76/51/54/465765154.db2.gz DATKAAFXRSXZEA-MHORFTMASA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000362469888 465765160 /nfs/dbraw/zinc/76/51/60/465765160.db2.gz DATKAAFXRSXZEA-MHORFTMASA-N 1 3 336.524 2.375 10 0 EEAEHO COc1ccc([C@H](CCn2cncn2)[NH2+][C@@H]2CCNC[C@H]2C)cc1 ZINC000423406342 466741849 /nfs/dbraw/zinc/74/18/49/466741849.db2.gz URISQXWHHSCAGR-OLMNPRSZSA-N 1 3 329.448 2.006 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417200919 466800041 /nfs/dbraw/zinc/80/00/41/466800041.db2.gz VDXHCKZEIHVXNE-MOPGFXCFSA-N 1 3 346.519 2.366 10 0 EEAEHO C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)C1 ZINC000417739578 466921840 /nfs/dbraw/zinc/92/18/40/466921840.db2.gz QEEVXICSYFHBQO-SQWLQELKSA-N 1 3 336.505 2.134 10 0 EEAEHO C[C@H]1C[N@H+](Cc2ccc(-c3cc[nH]n3)o2)CC[C@H]1N1CCN(C)CC1 ZINC000373850982 466942077 /nfs/dbraw/zinc/94/20/77/466942077.db2.gz ORMUOGJEHGFQJD-MAUKXSAKSA-N 1 3 343.475 2.128 10 0 EEAEHO C[C@H]1C[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)CC[C@H]1N1CCN(C)CC1 ZINC000373850982 466942080 /nfs/dbraw/zinc/94/20/80/466942080.db2.gz ORMUOGJEHGFQJD-MAUKXSAKSA-N 1 3 343.475 2.128 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CCC[C@@H](CC[NH3+])C2)[C@H]1c1ccccc1 ZINC000417953206 467000800 /nfs/dbraw/zinc/00/08/00/467000800.db2.gz ZCVBBBAOGQYAST-RYQLBKOJSA-N 1 3 330.476 2.202 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)[C@@H]1c1ccccc1 ZINC000425727670 467127595 /nfs/dbraw/zinc/12/75/95/467127595.db2.gz RKNKIWWBJQOOJY-MANSERQUSA-N 1 3 342.487 2.167 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)[C@@H]1c1ccccc1 ZINC000425727670 467127597 /nfs/dbraw/zinc/12/75/97/467127597.db2.gz RKNKIWWBJQOOJY-MANSERQUSA-N 1 3 342.487 2.167 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000418555776 467128153 /nfs/dbraw/zinc/12/81/53/467128153.db2.gz DUIWSUUGWOGYSM-VQIMIIECSA-N 1 3 344.503 2.290 10 0 EEAEHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000418757328 467155870 /nfs/dbraw/zinc/15/58/70/467155870.db2.gz YWWCFPMPVIAUKD-OAHLLOKOSA-N 1 3 346.466 2.281 10 0 EEAEHO CC(=O)[C@](C)(O)C[N@@H+]1CCC2(C1)CCN(Cc1ccccc1)CC2 ZINC000451070214 467239129 /nfs/dbraw/zinc/23/91/29/467239129.db2.gz XBOJIXLIBINGRJ-LJQANCHMSA-N 1 3 330.472 2.315 10 0 EEAEHO CC(=O)[C@](C)(O)C[N@H+]1CCC2(C1)CCN(Cc1ccccc1)CC2 ZINC000451070214 467239130 /nfs/dbraw/zinc/23/91/30/467239130.db2.gz XBOJIXLIBINGRJ-LJQANCHMSA-N 1 3 330.472 2.315 10 0 EEAEHO Cc1cc2c(ncnc2N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000420364597 467379565 /nfs/dbraw/zinc/37/95/65/467379565.db2.gz DBRLCVWJZCLVOM-AWEZNQCLSA-N 1 3 331.489 2.121 10 0 EEAEHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000414296894 467399166 /nfs/dbraw/zinc/39/91/66/467399166.db2.gz FSHYEZOIYKPKBA-HKUYNNGSSA-N 1 3 332.488 2.418 10 0 EEAEHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CCOCC1 ZINC000414309971 467400621 /nfs/dbraw/zinc/40/06/21/467400621.db2.gz SIOYOPHEJYRERT-KRWDZBQOSA-N 1 3 332.488 2.418 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000389969587 467404455 /nfs/dbraw/zinc/40/44/55/467404455.db2.gz ZFJZPICEHHDUGF-OXQOHEQNSA-N 1 3 337.467 2.438 10 0 EEAEHO C[NH+](C)Cc1ccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000392436708 467426261 /nfs/dbraw/zinc/42/62/61/467426261.db2.gz OWRUFAGWUMMRMH-FRQCXROJSA-N 1 3 331.460 2.219 10 0 EEAEHO CC(C)C[C@@H](N)C[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000415077007 467483328 /nfs/dbraw/zinc/48/33/28/467483328.db2.gz DJUHRRXQMFNLFB-MRXNPFEDSA-N 1 3 332.492 2.053 10 0 EEAEHO CC(C)C[C@@H]([NH3+])CNC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000415077007 467483333 /nfs/dbraw/zinc/48/33/33/467483333.db2.gz DJUHRRXQMFNLFB-MRXNPFEDSA-N 1 3 332.492 2.053 10 0 EEAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](O)C2CCOCC2)CC1 ZINC000449156016 467621188 /nfs/dbraw/zinc/62/11/88/467621188.db2.gz REDZHAXJTSTSGZ-LAUBAEHRSA-N 1 3 346.515 2.459 10 0 EEAEHO CN1CC[NH+](CC2CCN(Cc3cc4cccnc4o3)CC2)CC1 ZINC000449324182 467630923 /nfs/dbraw/zinc/63/09/23/467630923.db2.gz DBNZEHMQVSJUQC-UHFFFAOYSA-N 1 3 328.460 2.287 10 0 EEAEHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000583262024 468671223 /nfs/dbraw/zinc/67/12/23/468671223.db2.gz PSMLWSVPTGXBKX-QAPCUYQASA-N 1 3 332.492 2.375 10 0 EEAEHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000583262024 468671225 /nfs/dbraw/zinc/67/12/25/468671225.db2.gz PSMLWSVPTGXBKX-QAPCUYQASA-N 1 3 332.492 2.375 10 0 EEAEHO COC(=O)C1CCC([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CC1 ZINC000595075291 468752761 /nfs/dbraw/zinc/75/27/61/468752761.db2.gz YDSNRFXINFHLIC-ACBHZAAOSA-N 1 3 346.471 2.075 10 0 EEAEHO CNC(=O)[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])Cc1ccc(F)cc1C ZINC000583813024 468760292 /nfs/dbraw/zinc/76/02/92/468760292.db2.gz KWYKECULLFEMMD-RYRKJORJSA-N 1 3 335.467 2.146 10 0 EEAEHO CNC(=O)[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)Cc1ccc(F)cc1C ZINC000583813024 468760297 /nfs/dbraw/zinc/76/02/97/468760297.db2.gz KWYKECULLFEMMD-RYRKJORJSA-N 1 3 335.467 2.146 10 0 EEAEHO C[N@@H+]1CC[C@H](NCc2ccc(NS(C)(=O)=O)cc2)[C@@H]2CCC[C@H]21 ZINC000560515479 468823684 /nfs/dbraw/zinc/82/36/84/468823684.db2.gz UNIVMEURLFOFPS-YESZJQIVSA-N 1 3 337.489 2.021 10 0 EEAEHO C[N@H+]1CC[C@H](NCc2ccc(NS(C)(=O)=O)cc2)[C@@H]2CCC[C@H]21 ZINC000560515479 468823686 /nfs/dbraw/zinc/82/36/86/468823686.db2.gz UNIVMEURLFOFPS-YESZJQIVSA-N 1 3 337.489 2.021 10 0 EEAEHO CNC(=O)[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)Cc1ccc(F)cc1C ZINC000563127643 469177326 /nfs/dbraw/zinc/17/73/26/469177326.db2.gz ZESUGPSGPZTFKY-HFTRVMKXSA-N 1 3 335.467 2.111 10 0 EEAEHO CNC(=O)[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)Cc1ccc(F)cc1C ZINC000563127643 469177329 /nfs/dbraw/zinc/17/73/29/469177329.db2.gz ZESUGPSGPZTFKY-HFTRVMKXSA-N 1 3 335.467 2.111 10 0 EEAEHO COC(=O)C1C[C@H](C)[NH+](CCCN2CCN(C(C)C)CC2)[C@@H](C)C1 ZINC000599698038 469342064 /nfs/dbraw/zinc/34/20/64/469342064.db2.gz ULKCCZFYNIZCOK-IRXDYDNUSA-N 1 3 339.524 2.065 10 0 EEAEHO CN1CCC[C@@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000618554606 469386873 /nfs/dbraw/zinc/38/68/73/469386873.db2.gz QSCPACQAVHGHHC-QZTJIDSGSA-N 1 3 330.476 2.217 10 0 EEAEHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612967022 469593670 /nfs/dbraw/zinc/59/36/70/469593670.db2.gz WIIQKEGYBHACQR-KRWDZBQOSA-N 1 3 348.466 2.041 10 0 EEAEHO CCN1CCN(CCC[NH2+]Cc2ccc(OC)c(OC3CC3)c2)CC1 ZINC000623356981 469633529 /nfs/dbraw/zinc/63/35/29/469633529.db2.gz RVGOYHLOQPEBKV-UHFFFAOYSA-N 1 3 347.503 2.354 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c[nH]nc1-c1ccccc1 ZINC000617504346 469700468 /nfs/dbraw/zinc/70/04/68/469700468.db2.gz QTYWRGGNAIIPER-HNNXBMFYSA-N 1 3 343.475 2.079 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c[nH]nc1-c1ccccc1 ZINC000617504346 469700474 /nfs/dbraw/zinc/70/04/74/469700474.db2.gz QTYWRGGNAIIPER-HNNXBMFYSA-N 1 3 343.475 2.079 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)N(C)C2CCN(Cc3ccccc3)CC2)C[NH2+]1 ZINC000627199489 469841498 /nfs/dbraw/zinc/84/14/98/469841498.db2.gz YBJDBZSBSDRZEJ-SJLPKXTDSA-N 1 3 344.503 2.433 10 0 EEAEHO CCN(C(=O)[C@H]1CCCN(Cc2cccnc2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000617929560 469842374 /nfs/dbraw/zinc/84/23/74/469842374.db2.gz MDEDHGJVYYOPJO-OALUTQOASA-N 1 3 344.503 2.236 10 0 EEAEHO CCN(C(=O)[C@H]1CCCN(Cc2cccnc2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000617929560 469842380 /nfs/dbraw/zinc/84/23/80/469842380.db2.gz MDEDHGJVYYOPJO-OALUTQOASA-N 1 3 344.503 2.236 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000627240127 469853477 /nfs/dbraw/zinc/85/34/77/469853477.db2.gz QRCYCAGZJDZNLV-UKBAYJJMSA-N 1 3 344.503 2.431 10 0 EEAEHO COc1cncc(CNC2CC[NH+](C3CCN(C)CC3)CC2)c1C ZINC000631057034 470058634 /nfs/dbraw/zinc/05/86/34/470058634.db2.gz RQQYTIHOCZRZQA-UHFFFAOYSA-N 1 3 332.492 2.047 10 0 EEAEHO C[C@@H]1C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)C[C@H]1CN ZINC000631840059 470186882 /nfs/dbraw/zinc/18/68/82/470186882.db2.gz OZIDIFYWHBOKAI-NVXWUHKLSA-N 1 3 328.464 2.037 10 0 EEAEHO C[C@@H]1C[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)C[C@H]1CN ZINC000631840059 470186883 /nfs/dbraw/zinc/18/68/83/470186883.db2.gz OZIDIFYWHBOKAI-NVXWUHKLSA-N 1 3 328.464 2.037 10 0 EEAEHO O[C@@]1(C[NH2+]C[C@H]2CCN2C2CCCC2)CCN(Cc2ccccc2)C1 ZINC000634722270 470286624 /nfs/dbraw/zinc/28/66/24/470286624.db2.gz MOGBWHRDKDXDBH-NHCUHLMSSA-N 1 3 343.515 2.230 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)CC(F)F ZINC000645668918 470377193 /nfs/dbraw/zinc/37/71/93/470377193.db2.gz ITAVWLCWLOZTNZ-HUUCEWRRSA-N 1 3 348.482 2.335 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)CC(F)F ZINC000645668918 470377196 /nfs/dbraw/zinc/37/71/96/470377196.db2.gz ITAVWLCWLOZTNZ-HUUCEWRRSA-N 1 3 348.482 2.335 10 0 EEAEHO C[C@@H]1CC[C@H](CN)[N@H+](CCCN2C(=O)c3ccccc3C2=O)[C@H]1C ZINC000641805040 470488704 /nfs/dbraw/zinc/48/87/04/470488704.db2.gz DIISSYQHDSJDTG-QLFBSQMISA-N 1 3 329.444 2.120 10 0 EEAEHO C[C@@H]1CC[C@H](CN)[N@@H+](CCCN2C(=O)c3ccccc3C2=O)[C@H]1C ZINC000641805040 470488708 /nfs/dbraw/zinc/48/87/08/470488708.db2.gz DIISSYQHDSJDTG-QLFBSQMISA-N 1 3 329.444 2.120 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000637265431 470667139 /nfs/dbraw/zinc/66/71/39/470667139.db2.gz QGJYFIRBRKQVAG-CWRNSKLLSA-N 1 3 338.521 2.175 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000637265431 470667143 /nfs/dbraw/zinc/66/71/43/470667143.db2.gz QGJYFIRBRKQVAG-CWRNSKLLSA-N 1 3 338.521 2.175 10 0 EEAEHO CN1C[C@H]2CCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)[C@H]2C1 ZINC000646922604 470778404 /nfs/dbraw/zinc/77/84/04/470778404.db2.gz NMVMGPMDQHGYSR-MOPGFXCFSA-N 1 3 327.472 2.061 10 0 EEAEHO CN1C[C@H]2CCN(C(=O)c3oc4ccccc4c3C[NH+](C)C)[C@@H]2C1 ZINC000646934967 470781615 /nfs/dbraw/zinc/78/16/15/470781615.db2.gz YJLCGHIXFXYURT-CZUORRHYSA-N 1 3 327.428 2.271 10 0 EEAEHO c1ccc(N2CC[C@H](CN3CCN(CC[NH+]4CCCC4)CC3)C2)cc1 ZINC000637870438 470861654 /nfs/dbraw/zinc/86/16/54/470861654.db2.gz SERVFXHCBBRURY-HXUWFJFHSA-N 1 3 342.531 2.226 10 0 EEAEHO C[C@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2n(n1)CCCC2 ZINC000647288502 470877576 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EEAEHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000654827445 471194420 /nfs/dbraw/zinc/19/44/20/471194420.db2.gz FIPUMUDXUPIJOW-BHIYHBOVSA-N 1 3 329.488 2.450 10 0 EEAEHO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658138786 471270362 /nfs/dbraw/zinc/27/03/62/471270362.db2.gz OBOPUGXHKZLSKV-VQTJNVASSA-N 1 3 342.487 2.264 10 0 EEAEHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659031879 471475025 /nfs/dbraw/zinc/47/50/25/471475025.db2.gz DGJXKKOXXICTJX-YJBOKZPZSA-N 1 3 346.475 2.153 10 0 EEAEHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659031879 471475029 /nfs/dbraw/zinc/47/50/29/471475029.db2.gz DGJXKKOXXICTJX-YJBOKZPZSA-N 1 3 346.475 2.153 10 0 EEAEHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000666664733 471487299 /nfs/dbraw/zinc/48/72/99/471487299.db2.gz LMPXZDBGHBSRAZ-AEFFLSMTSA-N 1 3 332.492 2.049 10 0 EEAEHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000666664733 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C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(C2CCC2)CC1 ZINC000665764107 472177380 /nfs/dbraw/zinc/17/73/80/472177380.db2.gz VCLXRXQIZRQBBJ-INIZCTEOSA-N 1 3 338.540 2.480 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(C2CCC2)CC1 ZINC000665764107 472177384 /nfs/dbraw/zinc/17/73/84/472177384.db2.gz VCLXRXQIZRQBBJ-INIZCTEOSA-N 1 3 338.540 2.480 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000665763778 472177448 /nfs/dbraw/zinc/17/74/48/472177448.db2.gz LKCKSDOTGHOXNV-WBAXXEDZSA-N 1 3 336.524 2.088 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000665763778 472177450 /nfs/dbraw/zinc/17/74/50/472177450.db2.gz LKCKSDOTGHOXNV-WBAXXEDZSA-N 1 3 336.524 2.088 10 0 EEAEHO CC(C)([NH3+])c1cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)on1 ZINC000662683141 472203451 /nfs/dbraw/zinc/20/34/51/472203451.db2.gz OUAGUBONNMOGMD-OAHLLOKOSA-N 1 3 342.443 2.435 10 0 EEAEHO CCCN1CC[C@@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000662909577 472297711 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C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1c1ccccn1 ZINC000665638858 485613541 /nfs/dbraw/zinc/61/35/41/485613541.db2.gz DWBFMQNQVZIFMG-WMZOPIPTSA-N 1 3 347.507 2.200 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCCN(C)C1 ZINC000674147500 485647202 /nfs/dbraw/zinc/64/72/02/485647202.db2.gz CLQPTCUBWZYHMA-NEWSRXKRSA-N 1 3 344.503 2.290 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCCN(C)C1 ZINC000674147500 485647207 /nfs/dbraw/zinc/64/72/07/485647207.db2.gz CLQPTCUBWZYHMA-NEWSRXKRSA-N 1 3 344.503 2.290 10 0 EEAEHO Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000171904946 534218489 /nfs/dbraw/zinc/21/84/89/534218489.db2.gz YQBYFAAUMLHCLE-QZTJIDSGSA-N 1 3 330.476 2.087 10 0 EEAEHO Cc1ccc([C@@H](CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000171904946 534218492 /nfs/dbraw/zinc/21/84/92/534218492.db2.gz YQBYFAAUMLHCLE-QZTJIDSGSA-N 1 3 330.476 2.087 10 0 EEAEHO COC[C@@H](CCC[NH3+])NCc1ccc(Br)cc1OC ZINC000423065842 536596110 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341.499 2.422 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)C1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001485541118 1191828700 /nfs/dbraw/zinc/82/87/00/1191828700.db2.gz XRUBWDWNPQAGEO-BEFAXECRSA-N 1 3 329.488 2.451 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001485768035 1191941594 /nfs/dbraw/zinc/94/15/94/1191941594.db2.gz XRVSTWNAZSPAAS-DLBZAZTESA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001485768035 1191941595 /nfs/dbraw/zinc/94/15/95/1191941595.db2.gz XRVSTWNAZSPAAS-DLBZAZTESA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccnc(Cl)c1 ZINC001266699661 1177223468 /nfs/dbraw/zinc/22/34/68/1177223468.db2.gz LFYBAOWLEFHFNE-HNNXBMFYSA-N 1 3 338.883 2.156 10 0 EEAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccnc(Cl)c1 ZINC001266699661 1177223479 /nfs/dbraw/zinc/22/34/79/1177223479.db2.gz LFYBAOWLEFHFNE-HNNXBMFYSA-N 1 3 338.883 2.156 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001267004649 1178066742 /nfs/dbraw/zinc/06/67/42/1178066742.db2.gz GHUFTPGEMUWOKN-IBGZPJMESA-N 1 3 331.504 2.310 10 0 EEAEHO Cc1ccc(CC[N@H+]2CC[C@@H](CNC(=O)CN(C)C(C)C)C2)cc1 ZINC001481127403 1179841549 /nfs/dbraw/zinc/84/15/49/1179841549.db2.gz VAIIJOFUEFLBJT-IBGZPJMESA-N 1 3 331.504 2.316 10 0 EEAEHO Cc1ccc(CC[N@@H+]2CC[C@@H](CNC(=O)CN(C)C(C)C)C2)cc1 ZINC001481127403 1179841558 /nfs/dbraw/zinc/84/15/58/1179841558.db2.gz VAIIJOFUEFLBJT-IBGZPJMESA-N 1 3 331.504 2.316 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001283724382 1180093293 /nfs/dbraw/zinc/09/32/93/1180093293.db2.gz SJBFGLAYYVIELE-ZDUSSCGKSA-N 1 3 326.872 2.012 10 0 EEAEHO CN(CCNCc1cccnc1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001481260367 1180498387 /nfs/dbraw/zinc/49/83/87/1180498387.db2.gz QGMDVTXDBRWPEF-UHFFFAOYSA-N 1 3 332.492 2.142 10 0 EEAEHO Cc1ncoc1CN1CC[C@@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001481434528 1181330513 /nfs/dbraw/zinc/33/05/13/1181330513.db2.gz AUKLGEGXJKMWSA-IAGOWNOFSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncoc1CN1CC[C@@H](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001481434528 1181330519 /nfs/dbraw/zinc/33/05/19/1181330519.db2.gz AUKLGEGXJKMWSA-IAGOWNOFSA-N 1 3 348.491 2.186 10 0 EEAEHO CN(CCC[NH2+]C/C=C/Cl)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268847247 1183763629 /nfs/dbraw/zinc/76/36/29/1183763629.db2.gz GACKKKXYHQFSAL-WHWKNOJMSA-N 1 3 333.879 2.390 10 0 EEAEHO Cc1nc(C)c(CNCCCN(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)o1 ZINC001268877056 1183785117 /nfs/dbraw/zinc/78/51/17/1183785117.db2.gz UDTPWHXKGAJIMN-IRXDYDNUSA-N 1 3 348.491 2.246 10 0 EEAEHO Cc1nc(C)c(CNCCCN(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)o1 ZINC001268877056 1183785122 /nfs/dbraw/zinc/78/51/22/1183785122.db2.gz UDTPWHXKGAJIMN-IRXDYDNUSA-N 1 3 348.491 2.246 10 0 EEAEHO CCc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001482318804 1185336301 /nfs/dbraw/zinc/33/63/01/1185336301.db2.gz GTGHASSTJMPVGC-VQIMIIECSA-N 1 3 331.504 2.322 10 0 EEAEHO CCOCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001482330251 1185412277 /nfs/dbraw/zinc/41/22/77/1185412277.db2.gz HYNYXZIJHHXSKL-MAUKXSAKSA-N 1 3 345.503 2.062 10 0 EEAEHO C[C@H](CNCc1cncs1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001482342159 1185449740 /nfs/dbraw/zinc/44/97/40/1185449740.db2.gz IZQPKJTYCPQAKH-CQSZACIVSA-N 1 3 346.500 2.455 10 0 EEAEHO COc1cc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)ccc1C ZINC001482365226 1185521696 /nfs/dbraw/zinc/52/16/96/1185521696.db2.gz SYNLCLUXQHJPAR-INIZCTEOSA-N 1 3 333.476 2.036 10 0 EEAEHO C[C@H](C[NH2+]CCc1ccccc1)N(C)C(=O)CN1CCC(C)CC1 ZINC001271156692 1185992083 /nfs/dbraw/zinc/99/20/83/1185992083.db2.gz ZHEXOQPUQVYAKN-GOSISDBHSA-N 1 3 331.504 2.398 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cc(C)no1 ZINC001271599713 1186331545 /nfs/dbraw/zinc/33/15/45/1186331545.db2.gz LVDSEFFJBPIYME-MRXNPFEDSA-N 1 3 336.480 2.186 10 0 EEAEHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CCc1ccccc1 ZINC001271628112 1186343109 /nfs/dbraw/zinc/34/31/09/1186343109.db2.gz CLHXQPFYAHUWCU-HKUYNNGSSA-N 1 3 343.515 2.398 10 0 EEAEHO CC(C)[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC[C@H]1CCOC1 ZINC001482545351 1186640285 /nfs/dbraw/zinc/64/02/85/1186640285.db2.gz PSXUMGCFYNTUJJ-IRXDYDNUSA-N 1 3 339.524 2.018 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1c(C)noc1C ZINC001482903130 1187828451 /nfs/dbraw/zinc/82/84/51/1187828451.db2.gz XDKXZDXSPXZSLB-SUMWQHHRSA-N 1 3 336.480 2.150 10 0 EEAEHO CCCN(C)CC(=O)NC1CC(C[NH2+]Cc2ccc3c(c2)COC3)C1 ZINC001409279181 1188591989 /nfs/dbraw/zinc/59/19/89/1188591989.db2.gz JWJLAJJOAZMMTF-UHFFFAOYSA-N 1 3 345.487 2.043 10 0 EEAEHO CCc1ccccc1CC[NH2+]C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001483267069 1190292067 /nfs/dbraw/zinc/29/20/67/1190292067.db2.gz ZQAQDNSLGPHODF-IRXDYDNUSA-N 1 3 331.504 2.228 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCC1CCOCC1 ZINC001483422018 1190470213 /nfs/dbraw/zinc/47/02/13/1190470213.db2.gz UDSBOBYJRRQMAE-AEFFLSMTSA-N 1 3 339.524 2.114 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCC1CCOCC1 ZINC001483422018 1190470215 /nfs/dbraw/zinc/47/02/15/1190470215.db2.gz UDSBOBYJRRQMAE-AEFFLSMTSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CC[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)o1 ZINC001484524020 1191397669 /nfs/dbraw/zinc/39/76/69/1191397669.db2.gz DXLSNZSEEHIJIG-MRXNPFEDSA-N 1 3 348.491 2.104 10 0 EEAEHO COCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001485073361 1191643324 /nfs/dbraw/zinc/64/33/24/1191643324.db2.gz LZOJHBKZUIKYDM-SFHVURJKSA-N 1 3 339.524 2.068 10 0 EEAEHO COCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001485073361 1191643326 /nfs/dbraw/zinc/64/33/26/1191643326.db2.gz LZOJHBKZUIKYDM-SFHVURJKSA-N 1 3 339.524 2.068 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)C/C=C/c1ccccc1 ZINC001485348860 1191749772 /nfs/dbraw/zinc/74/97/72/1191749772.db2.gz BXXUFEKRYQDXAO-WGDYAQENSA-N 1 3 329.488 2.478 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)C/C=C/c1ccccc1 ZINC001485348860 1191749773 /nfs/dbraw/zinc/74/97/73/1191749773.db2.gz BXXUFEKRYQDXAO-WGDYAQENSA-N 1 3 329.488 2.478 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccns1 ZINC001273051330 1194355985 /nfs/dbraw/zinc/35/59/85/1194355985.db2.gz BDNKTWQXUZHANC-GOEBONIOSA-N 1 3 338.521 2.390 10 0 EEAEHO CSCC[C@@H](N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702123288 1195748130 /nfs/dbraw/zinc/74/81/30/1195748130.db2.gz AEMXTLSDTGHBCY-YQVWRLOYSA-N 1 3 347.528 2.047 10 0 EEAEHO CSCC[C@@H](N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702123288 1195748132 /nfs/dbraw/zinc/74/81/32/1195748132.db2.gz AEMXTLSDTGHBCY-YQVWRLOYSA-N 1 3 347.528 2.047 10 0 EEAEHO COc1cc(C[NH2+][C@@H](C)CN(C)C(=O)CN2CC[C@H](C)C2)ccc1C ZINC001410439504 1197900454 /nfs/dbraw/zinc/90/04/54/1197900454.db2.gz RGWYTVKGRPPUEX-RDJZCZTQSA-N 1 3 347.503 2.282 10 0 EEAEHO CC(C)(O)C[C@H](O)CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000872205907 1198085263 /nfs/dbraw/zinc/08/52/63/1198085263.db2.gz LIXATEDZLALYJJ-IYWMVGAKSA-N 1 3 346.515 2.399 10 0 EEAEHO CC(C)(O)C[C@H](O)CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000872205907 1198085271 /nfs/dbraw/zinc/08/52/71/1198085271.db2.gz LIXATEDZLALYJJ-IYWMVGAKSA-N 1 3 346.515 2.399 10 0 EEAEHO CC(C)(O)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000872205907 1198085276 /nfs/dbraw/zinc/08/52/76/1198085276.db2.gz LIXATEDZLALYJJ-IYWMVGAKSA-N 1 3 346.515 2.399 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNCc1cccnc1C ZINC001273412983 1198670644 /nfs/dbraw/zinc/67/06/44/1198670644.db2.gz OIXKHVJUAPQMTP-SFHVURJKSA-N 1 3 332.492 2.203 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNCc1cccnc1C ZINC001273412983 1198670647 /nfs/dbraw/zinc/67/06/47/1198670647.db2.gz OIXKHVJUAPQMTP-SFHVURJKSA-N 1 3 332.492 2.203 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc(Cl)n1 ZINC000828428337 1199185451 /nfs/dbraw/zinc/18/54/51/1199185451.db2.gz WKIMBOGBLUUCME-GJZGRUSLSA-N 1 3 336.867 2.130 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000810174369 1199331095 /nfs/dbraw/zinc/33/10/95/1199331095.db2.gz SEVOBMKWYKWWSD-MAUKXSAKSA-N 1 3 325.472 2.286 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000810429006 1199506997 /nfs/dbraw/zinc/50/69/97/1199506997.db2.gz UBMVSZJKROZDLQ-MAUKXSAKSA-N 1 3 325.472 2.143 10 0 EEAEHO Cc1ccc(CN2CCO[C@H](CNC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000866557611 1201547468 /nfs/dbraw/zinc/54/74/68/1201547468.db2.gz BSFWDTSTKBVLCT-OAQYLSRUSA-N 1 3 343.515 2.412 10 0 EEAEHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001274610279 1205099415 /nfs/dbraw/zinc/09/94/15/1205099415.db2.gz OCYRORUDYHIFIC-PLNGDYQASA-N 1 3 329.488 2.278 10 0 EEAEHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)C(C)(C)CO)cc2)CC1 ZINC000924693432 1206019526 /nfs/dbraw/zinc/01/95/26/1206019526.db2.gz ZEGVGMCHMIQULW-QGZVFWFLSA-N 1 3 333.520 2.321 10 0 EEAEHO CC1(C)[C@H]([NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)[C@@H]2CCCN[C@@H]21 ZINC000925632102 1206137633 /nfs/dbraw/zinc/13/76/33/1206137633.db2.gz ZVTPALGASOKXQE-IZBJGVDFSA-N 1 3 341.499 2.401 10 0 EEAEHO [NH3+]CCC[C@@H](NCCS(=O)(=O)CC(F)(F)F)c1ccccc1 ZINC000925710966 1206145333 /nfs/dbraw/zinc/14/53/33/1206145333.db2.gz LJAQNFVVVRFKBY-CYBMUJFWSA-N 1 3 338.395 2.033 10 0 EEAEHO CC(C)(C)NS(=O)(=O)C1(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925806413 1206155783 /nfs/dbraw/zinc/15/57/83/1206155783.db2.gz POVXAIIAGDIBEC-KBPBESRZSA-N 1 3 345.553 2.123 10 0 EEAEHO C[C@@H](CC(=O)NCCc1ccccc1)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925843366 1206159130 /nfs/dbraw/zinc/15/91/30/1206159130.db2.gz PPMCGKNCPMOIET-ILZDJORESA-N 1 3 329.488 2.246 10 0 EEAEHO O=C1O[C@H](CN[C@H]2CCCc3c(O)cccc32)CC12CC[NH2+]CC2 ZINC000925849360 1206160503 /nfs/dbraw/zinc/16/05/03/1206160503.db2.gz IQMGMFCLIYADOQ-BBRMVZONSA-N 1 3 330.428 2.045 10 0 EEAEHO Cc1ccc2c(c1)OCCC[C@@H]2NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855221 1206161495 /nfs/dbraw/zinc/16/14/95/1206161495.db2.gz TUMSPVCYTCIZGE-RDJZCZTQSA-N 1 3 344.455 2.484 10 0 EEAEHO O[C@H](CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1(O)CCC1 ZINC000929772869 1206500173 /nfs/dbraw/zinc/50/01/73/1206500173.db2.gz PCNLECPTZJRYPI-WOJBJXKFSA-N 1 3 344.499 2.250 10 0 EEAEHO O[C@H](CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1(O)CCC1 ZINC000929772869 1206500175 /nfs/dbraw/zinc/50/01/75/1206500175.db2.gz PCNLECPTZJRYPI-WOJBJXKFSA-N 1 3 344.499 2.250 10 0 EEAEHO c1ccc(CN2CC[C@@]3(CC[N@@H+](CCO[C@@H]4CCOC4)C3)C2)cc1 ZINC000930456976 1206559584 /nfs/dbraw/zinc/55/95/84/1206559584.db2.gz KOMSSNRNOOLLDI-WOJBJXKFSA-N 1 3 330.472 2.390 10 0 EEAEHO c1ccc(CN2CC[C@@]3(CC[N@H+](CCO[C@@H]4CCOC4)C3)C2)cc1 ZINC000930456976 1206559585 /nfs/dbraw/zinc/55/95/85/1206559585.db2.gz KOMSSNRNOOLLDI-WOJBJXKFSA-N 1 3 330.472 2.390 10 0 EEAEHO CO[C@@H](CN1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)[C@@H]1CCOC1 ZINC001413048393 1217953329 /nfs/dbraw/zinc/95/33/29/1217953329.db2.gz AGWWKIJEZBEMCN-CGXNFDGLSA-N 1 3 344.499 2.492 10 0 EEAEHO CO[C@@H](CN1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)[C@@H]1CCOC1 ZINC001413048393 1217953333 /nfs/dbraw/zinc/95/33/33/1217953333.db2.gz AGWWKIJEZBEMCN-CGXNFDGLSA-N 1 3 344.499 2.492 10 0 EEAEHO Cc1c(C[C@H](CN)C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)cnn1C ZINC000903892543 1242358451 /nfs/dbraw/zinc/35/84/51/1242358451.db2.gz JOMGSAYUELRTPK-RHSMWYFYSA-N 1 3 330.476 2.115 10 0 EEAEHO Cc1c(C[C@H](CN)C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)cnn1C ZINC000903892543 1242358461 /nfs/dbraw/zinc/35/84/61/1242358461.db2.gz JOMGSAYUELRTPK-RHSMWYFYSA-N 1 3 330.476 2.115 10 0 EEAEHO Cc1c(C[C@@H](CN)C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)cnn1C ZINC000903892547 1242359403 /nfs/dbraw/zinc/35/94/03/1242359403.db2.gz JOMGSAYUELRTPK-YOEHRIQHSA-N 1 3 330.476 2.115 10 0 EEAEHO Cc1c(C[C@@H](CN)C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)cnn1C ZINC000903892547 1242359416 /nfs/dbraw/zinc/35/94/16/1242359416.db2.gz JOMGSAYUELRTPK-YOEHRIQHSA-N 1 3 330.476 2.115 10 0 EEAEHO COC[C@H](Cc1ccccc1)N(C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903913987 1242460971 /nfs/dbraw/zinc/46/09/71/1242460971.db2.gz RBHOBTBSNSTSNR-QUCCMNQESA-N 1 3 344.503 2.035 10 0 EEAEHO Nc1ccnc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000903950689 1242674477 /nfs/dbraw/zinc/67/44/77/1242674477.db2.gz QZZZWNIOICQNSO-UHFFFAOYSA-N 1 3 326.444 2.428 10 0 EEAEHO CN(CCC[NH2+]CCc1ccccc1Cl)C(=O)CN1CCCC1 ZINC001276386602 1255526596 /nfs/dbraw/zinc/52/65/96/1255526596.db2.gz GQHHNEMXSHTNNI-UHFFFAOYSA-N 1 3 337.895 2.416 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccnc1 ZINC001489056406 1290347601 /nfs/dbraw/zinc/34/76/01/1290347601.db2.gz QBKKSOQZSWWLLY-AEFFLSMTSA-N 1 3 332.492 2.139 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](NCc2cc3ccccc3o2)C2CC2)C1 ZINC001490735934 1291644812 /nfs/dbraw/zinc/64/48/12/1291644812.db2.gz OXXKCFXSNGBWIB-WMZOPIPTSA-N 1 3 341.455 2.369 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)NC[C@H](NCc2cc3ccccc3o2)C2CC2)C1 ZINC001490735934 1291644820 /nfs/dbraw/zinc/64/48/20/1291644820.db2.gz OXXKCFXSNGBWIB-WMZOPIPTSA-N 1 3 341.455 2.369 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000855345214 1293183332 /nfs/dbraw/zinc/18/33/32/1293183332.db2.gz OUMSDKBLAGLFGS-LSDHHAIUSA-N 1 3 333.476 2.012 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000855345214 1293183335 /nfs/dbraw/zinc/18/33/35/1293183335.db2.gz OUMSDKBLAGLFGS-LSDHHAIUSA-N 1 3 333.476 2.012 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CC[C@H]1CC1(Cl)Cl ZINC000855345809 1293183911 /nfs/dbraw/zinc/18/39/11/1293183911.db2.gz XRWALSYAZOBLEH-STQMWFEESA-N 1 3 338.323 2.349 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CC[C@H]1CC1(Cl)Cl ZINC000855345809 1293183916 /nfs/dbraw/zinc/18/39/16/1293183916.db2.gz XRWALSYAZOBLEH-STQMWFEESA-N 1 3 338.323 2.349 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccnc(Cl)c2)C1)N(C)C ZINC001277074439 1301160679 /nfs/dbraw/zinc/16/06/79/1301160679.db2.gz HKCDVIADBPHKRM-KKUMJFAQSA-N 1 3 338.883 2.060 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc(Cl)n1 ZINC000841850804 1315622545 /nfs/dbraw/zinc/62/25/45/1315622545.db2.gz DUTLNSFIDHZTGN-PBHICJAKSA-N 1 3 336.867 2.035 10 0 EEAEHO CN(C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC000841866676 1315626540 /nfs/dbraw/zinc/62/65/40/1315626540.db2.gz GIMSPSPJUAYERV-FOIPXRHGSA-N 1 3 330.476 2.343 10 0 EEAEHO CC(C)OCC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C(C)(C)C ZINC001278991040 1318943940 /nfs/dbraw/zinc/94/39/40/1318943940.db2.gz XLHPRYPDBCENMI-MRXNPFEDSA-N 1 3 341.540 2.406 10 0 EEAEHO CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCOCC2CC2)C1)N(C)C ZINC001264122533 1322634421 /nfs/dbraw/zinc/63/44/21/1322634421.db2.gz ONNHZCBPXFRZSC-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001265061940 1322901544 /nfs/dbraw/zinc/90/15/44/1322901544.db2.gz HCRNOOUBHNNOGP-ZDUSSCGKSA-N 1 3 328.407 2.134 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001265061940 1322901547 /nfs/dbraw/zinc/90/15/47/1322901547.db2.gz HCRNOOUBHNNOGP-ZDUSSCGKSA-N 1 3 328.407 2.134 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CC1CCOCC1 ZINC001316853409 1331469349 /nfs/dbraw/zinc/46/93/49/1331469349.db2.gz FFWXYQZLEACPFF-GOSISDBHSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CC1CCOCC1 ZINC001316853409 1331469351 /nfs/dbraw/zinc/46/93/51/1331469351.db2.gz FFWXYQZLEACPFF-GOSISDBHSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001317058591 1332064713 /nfs/dbraw/zinc/06/47/13/1332064713.db2.gz DMYPIQDTZUWLIY-KRWDZBQOSA-N 1 3 345.487 2.049 10 0 EEAEHO COCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001317305387 1332172257 /nfs/dbraw/zinc/17/22/57/1332172257.db2.gz KYLAEORLHDBZOC-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO CCOCCN1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001317503260 1332269716 /nfs/dbraw/zinc/26/97/16/1332269716.db2.gz ZTQSGJGTGVAKJO-KRWDZBQOSA-N 1 3 339.524 2.116 10 0 EEAEHO CC(C)OCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001317675495 1332364932 /nfs/dbraw/zinc/36/49/32/1332364932.db2.gz ICFHCKHDTRDASR-SJLPKXTDSA-N 1 3 339.524 2.112 10 0 EEAEHO CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]CCOC2CCC2)CC1)N(C)C ZINC001317677554 1332366280 /nfs/dbraw/zinc/36/62/80/1332366280.db2.gz BNLVFXUHQIBULI-MAUKXSAKSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)N(CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1ccnn1C ZINC001317708481 1332382416 /nfs/dbraw/zinc/38/24/16/1332382416.db2.gz CNHHPGXBXLBRLC-IRXDYDNUSA-N 1 3 349.523 2.010 10 0 EEAEHO CC[C@@H](C(=O)NC1(C[NH2+]CCC2CCOCC2)CCCC1)N(C)C ZINC001318653033 1332572733 /nfs/dbraw/zinc/57/27/33/1332572733.db2.gz BWAUCTJYEUZNNQ-KRWDZBQOSA-N 1 3 339.524 2.162 10 0 EEAEHO C[NH+]1CCC(C(=O)NCc2ccc(CNC/C=C\Cl)cc2)CC1 ZINC001319000656 1332635479 /nfs/dbraw/zinc/63/54/79/1332635479.db2.gz SXCIFNNYDPNNTM-MBXJOHMKSA-N 1 3 335.879 2.487 10 0 EEAEHO Cc1ccc(OCC[NH2+]C[C@@H](C)N(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001319533656 1332717073 /nfs/dbraw/zinc/71/70/73/1332717073.db2.gz JDHWWFLYTUNMAR-QZTJIDSGSA-N 1 3 347.503 2.152 10 0 EEAEHO Cc1ncoc1CNCC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001319775172 1332764703 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EEAEHO COc1ccc(C)cc1C[NH2+]CC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001668214978 1355900927 /nfs/dbraw/zinc/90/09/27/1355900927.db2.gz SYHBMGKLJGUPOU-IRXDYDNUSA-N 1 3 347.503 2.330 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001502546069 1342208722 /nfs/dbraw/zinc/20/87/22/1342208722.db2.gz NXKVEDIQQIDGGK-PKOBYXMFSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001502546069 1342208724 /nfs/dbraw/zinc/20/87/24/1342208724.db2.gz NXKVEDIQQIDGGK-PKOBYXMFSA-N 1 3 339.524 2.068 10 0 EEAEHO CC(C)OCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001567166327 1342703307 /nfs/dbraw/zinc/70/33/07/1342703307.db2.gz BQVBOZSKXQXRTQ-IAGOWNOFSA-N 1 3 339.524 2.303 10 0 EEAEHO CC/C=C/CC[NH2+][C@H](C)[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001570976450 1343145076 /nfs/dbraw/zinc/14/50/76/1343145076.db2.gz CBOZVLAGDGZKSJ-KGVXHEBISA-N 1 3 337.508 2.033 10 0 EEAEHO CC(C)(CNC(=O)[C@H]1CCCC[C@H]1[NH3+])N1CCc2ccccc2C1 ZINC001645892685 1352807723 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10 0 EEAEHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[N@H+]1Cc1cncs1 ZINC001663124486 1354923782 /nfs/dbraw/zinc/92/37/82/1354923782.db2.gz XOEBYAPAZGHNHN-HNNXBMFYSA-N 1 3 338.521 2.344 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@](C)(C[NH2+]CC[C@H]1CCCCO1)C1CC1 ZINC001666037871 1355429887 /nfs/dbraw/zinc/42/98/87/1355429887.db2.gz NVLHBXGRGHMTTB-APWZRJJASA-N 1 3 348.491 2.094 10 0 EEAEHO Cc1ccncc1C[NH2+]CC[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001666172389 1355475079 /nfs/dbraw/zinc/47/50/79/1355475079.db2.gz GZYFMSJAZSKBMU-GOSISDBHSA-N 1 3 346.519 2.449 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+]Cc2cncs2)CC1 ZINC001666263405 1355498830 /nfs/dbraw/zinc/49/88/30/1355498830.db2.gz SNJAYGZVHZLXJD-UHFFFAOYSA-N 1 3 338.521 2.202 10 0 EEAEHO C[C@@H](C[NH2+]CCCc1ccccc1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001666991955 1355628326 /nfs/dbraw/zinc/62/83/26/1355628326.db2.gz JBCXKDMRDQHPDH-MSOLQXFVSA-N 1 3 331.504 2.398 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001668201898 1355897773 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CCOC(=O)C1([C@H](C)NCc2ccc(C)nc2Cl)CC[NH2+]CC1 ZINC000925768223 773940629 /nfs/dbraw/zinc/94/06/29/773940629.db2.gz ZACZVOWEOLTWDK-ZDUSSCGKSA-N 1 3 339.867 2.454 10 0 EEAEHO O[C@@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccccc1Cl ZINC000819083948 785394039 /nfs/dbraw/zinc/39/40/39/785394039.db2.gz IQYXJHIWFRQCSP-KDOFPFPSSA-N 1 3 338.879 2.464 10 0 EEAEHO C[C@H]1CN(CC(=O)NCCCSc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923499158 789681701 /nfs/dbraw/zinc/68/17/01/789681701.db2.gz KQTKGRDNLZRMJC-JKSUJKDBSA-N 1 3 335.517 2.202 10 0 EEAEHO Cn1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c(C2CCCC2)n1 ZINC000922097940 798905705 /nfs/dbraw/zinc/90/57/05/798905705.db2.gz DZMYSDIISSCUEO-UHFFFAOYSA-N 1 3 333.524 2.193 10 0 EEAEHO Cc1ccc(C[N@@H+](C)CCCNC(=O)C2(N(C)C)CCC2)c(C)n1 ZINC001566460920 1125620217 /nfs/dbraw/zinc/62/02/17/1125620217.db2.gz HJITVOPOCRVDKX-UHFFFAOYSA-N 1 3 332.492 2.121 10 0 EEAEHO Cc1ccc(C[N@H+](C)CCCNC(=O)C2(N(C)C)CCC2)c(C)n1 ZINC001566460920 1125620222 /nfs/dbraw/zinc/62/02/22/1125620222.db2.gz HJITVOPOCRVDKX-UHFFFAOYSA-N 1 3 332.492 2.121 10 0 EEAEHO CC[C@@H](C(=O)N(C)C1CC[NH+](C[C@@H](OC)C2CCC2)CC1)N(C)C ZINC001436677862 1088128725 /nfs/dbraw/zinc/12/87/25/1088128725.db2.gz WUDWZUMFCGIIET-ZWKOTPCHSA-N 1 3 339.524 2.065 10 0 EEAEHO C[C@@H]1C[C@@H](C[NH2+][C@H]2C[C@H](NC(=O)CN(C)CC(C)(C)C)C2)CCO1 ZINC001436916618 1088577466 /nfs/dbraw/zinc/57/74/66/1088577466.db2.gz SVYXCXIJMMYRNE-YYIAUSFCSA-N 1 3 339.524 2.016 10 0 EEAEHO Cc1cncc(C[N@H+]2CCC[C@@H]([C@H](C)NC(=O)CN(C)C(C)C)C2)c1 ZINC001437058720 1088957821 /nfs/dbraw/zinc/95/78/21/1088957821.db2.gz KOTYWNKGJFQENJ-PKOBYXMFSA-N 1 3 346.519 2.447 10 0 EEAEHO Cc1cncc(C[N@@H+]2CCC[C@@H]([C@H](C)NC(=O)CN(C)C(C)C)C2)c1 ZINC001437058720 1088957830 /nfs/dbraw/zinc/95/78/30/1088957830.db2.gz KOTYWNKGJFQENJ-PKOBYXMFSA-N 1 3 346.519 2.447 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001437262470 1089404506 /nfs/dbraw/zinc/40/45/06/1089404506.db2.gz PCRIPXVBBWYEBD-YVEFUNNKSA-N 1 3 339.430 2.387 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001438246042 1090728323 /nfs/dbraw/zinc/72/83/23/1090728323.db2.gz MDQHUGSNNOAXKW-SJORKVTESA-N 1 3 339.524 2.066 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001438246042 1090728325 /nfs/dbraw/zinc/72/83/25/1090728325.db2.gz MDQHUGSNNOAXKW-SJORKVTESA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)NCc1ccccn1 ZINC001438845307 1091481734 /nfs/dbraw/zinc/48/17/34/1091481734.db2.gz GHTXUGCTOUKYCQ-RBUKOAKNSA-N 1 3 346.519 2.432 10 0 EEAEHO CC(C)n1ccc(CN[C@H](C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001438856535 1091492125 /nfs/dbraw/zinc/49/21/25/1091492125.db2.gz SHQXPWDUCPGFTP-IAGOWNOFSA-N 1 3 349.523 2.132 10 0 EEAEHO Cc1ccc(CN(C)C[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1F ZINC001445825028 1091709865 /nfs/dbraw/zinc/70/98/65/1091709865.db2.gz TXEQNLCOGCHEEA-GDBMZVCRSA-N 1 3 335.467 2.412 10 0 EEAEHO Cc1ccc(CN(C)C[C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)cc1F ZINC001445825028 1091709871 /nfs/dbraw/zinc/70/98/71/1091709871.db2.gz TXEQNLCOGCHEEA-GDBMZVCRSA-N 1 3 335.467 2.412 10 0 EEAEHO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](CNC/C(Cl)=C\Cl)C1CC1 ZINC001445948100 1091888653 /nfs/dbraw/zinc/88/86/53/1091888653.db2.gz FBSZHRWZXUQRMV-DXIMFJFMSA-N 1 3 334.291 2.274 10 0 EEAEHO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H](CNC/C(Cl)=C\Cl)C1CC1 ZINC001445948100 1091888663 /nfs/dbraw/zinc/88/86/63/1091888663.db2.gz FBSZHRWZXUQRMV-DXIMFJFMSA-N 1 3 334.291 2.274 10 0 EEAEHO C[C@@H](CNCc1ccccc1Cl)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001439246685 1091897016 /nfs/dbraw/zinc/89/70/16/1091897016.db2.gz VLRROQDUXJKHLQ-XJKSGUPXSA-N 1 3 335.879 2.276 10 0 EEAEHO C[C@@H](CN[C@H]1CCc2c1cc(F)cc2F)NC(=O)CCC[NH+](C)C ZINC001439253019 1091902823 /nfs/dbraw/zinc/90/28/23/1091902823.db2.gz AXGRKGSRGUGJGY-SJCJKPOMSA-N 1 3 339.430 2.388 10 0 EEAEHO Cc1ccc(F)c(CNC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)c1 ZINC001445988231 1091956934 /nfs/dbraw/zinc/95/69/34/1091956934.db2.gz GWRNVGBMGIBSMM-HNAYVOBHSA-N 1 3 347.478 2.460 10 0 EEAEHO Cc1ccc(F)c(CNC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C2CC2)c1 ZINC001445988231 1091956936 /nfs/dbraw/zinc/95/69/36/1091956936.db2.gz GWRNVGBMGIBSMM-HNAYVOBHSA-N 1 3 347.478 2.460 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NCC2(NCc3ccc(CF)cc3)CC2)C1 ZINC001439662122 1092598640 /nfs/dbraw/zinc/59/86/40/1092598640.db2.gz RIATWFSQUXFZMW-KRWDZBQOSA-N 1 3 333.451 2.236 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NCC2(NCc3ccc(CF)cc3)CC2)C1 ZINC001439662122 1092598649 /nfs/dbraw/zinc/59/86/49/1092598649.db2.gz RIATWFSQUXFZMW-KRWDZBQOSA-N 1 3 333.451 2.236 10 0 EEAEHO Cc1ncc(CNC[C@@H](NC(=O)CC[NH+](C)C)C2CCCC2)s1 ZINC001439813742 1092785835 /nfs/dbraw/zinc/78/58/35/1092785835.db2.gz IDCVRRNEHRXOAD-MRXNPFEDSA-N 1 3 338.521 2.168 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001448471026 1093484701 /nfs/dbraw/zinc/48/47/01/1093484701.db2.gz NIHPPPOXRGYULQ-KZNAEPCWSA-N 1 3 344.503 2.140 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001448471026 1093484703 /nfs/dbraw/zinc/48/47/03/1093484703.db2.gz NIHPPPOXRGYULQ-KZNAEPCWSA-N 1 3 344.503 2.140 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCc2ccccc2F)CC[N@@H+]1C ZINC001448656460 1093723784 /nfs/dbraw/zinc/72/37/84/1093723784.db2.gz SHQBXPKZOUPKAU-UWWQBHOKSA-N 1 3 335.467 2.493 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCc2ccccc2F)CC[N@H+]1C ZINC001448656460 1093723791 /nfs/dbraw/zinc/72/37/91/1093723791.db2.gz SHQBXPKZOUPKAU-UWWQBHOKSA-N 1 3 335.467 2.493 10 0 EEAEHO CCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccc(OC)cc1 ZINC001440563123 1093831166 /nfs/dbraw/zinc/83/11/66/1093831166.db2.gz UGIPXUFPFRVGHP-RBUKOAKNSA-N 1 3 347.503 2.329 10 0 EEAEHO CC[C@H](C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCCN2CC)CC1)OC ZINC001440612107 1093879355 /nfs/dbraw/zinc/87/93/55/1093879355.db2.gz AFRCUARZGRMTIM-IAGOWNOFSA-N 1 3 339.524 2.257 10 0 EEAEHO C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)NCc1cncs1 ZINC001440795133 1094036421 /nfs/dbraw/zinc/03/64/21/1094036421.db2.gz DMWZNBWHMMXJJD-UONOGXRCSA-N 1 3 336.505 2.002 10 0 EEAEHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)Cc1ccc(F)cc1 ZINC001440921442 1094175507 /nfs/dbraw/zinc/17/55/07/1094175507.db2.gz DMNSDPOJKGWNSC-KDOFPFPSSA-N 1 3 333.451 2.104 10 0 EEAEHO CC[C@@H](C(=O)N(C)C1CC(NCc2ccccn2)C1)[NH+](CC)CC ZINC001449395570 1094372746 /nfs/dbraw/zinc/37/27/46/1094372746.db2.gz VKARTNQYPMGGOH-ABHNRTSZSA-N 1 3 332.492 2.281 10 0 EEAEHO COc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C3CCC3)C2)c1 ZINC001441490100 1095167087 /nfs/dbraw/zinc/16/70/87/1095167087.db2.gz SEGSVEVWYJZIDO-OIISXLGYSA-N 1 3 345.487 2.477 10 0 EEAEHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCc4c3cccc4F)C[C@H]21)N(C)C ZINC001441700098 1095683133 /nfs/dbraw/zinc/68/31/33/1095683133.db2.gz ZTMVDXXLHSXHBC-PHAGKYIGSA-N 1 3 345.462 2.200 10 0 EEAEHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCc4c3cccc4F)C[C@H]21)N(C)C ZINC001441700098 1095683138 /nfs/dbraw/zinc/68/31/38/1095683138.db2.gz ZTMVDXXLHSXHBC-PHAGKYIGSA-N 1 3 345.462 2.200 10 0 EEAEHO Cc1ccncc1CN[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001441848232 1095931086 /nfs/dbraw/zinc/93/10/86/1095931086.db2.gz XPTYTEPPJAOSCY-QFBILLFUSA-N 1 3 344.503 2.391 10 0 EEAEHO Cc1ccncc1CN[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001441848232 1095931094 /nfs/dbraw/zinc/93/10/94/1095931094.db2.gz XPTYTEPPJAOSCY-QFBILLFUSA-N 1 3 344.503 2.391 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cccc2cccnc21 ZINC001441953364 1096153928 /nfs/dbraw/zinc/15/39/28/1096153928.db2.gz RHYLUJNXGVZYRA-HOTGVXAUSA-N 1 3 340.471 2.171 10 0 EEAEHO Cc1ncccc1CN[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001442072689 1096286124 /nfs/dbraw/zinc/28/61/24/1096286124.db2.gz ZDVBLDRSLYZKAY-APWZRJJASA-N 1 3 346.519 2.495 10 0 EEAEHO CO[C@H](C)C[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001442209452 1096497332 /nfs/dbraw/zinc/49/73/32/1096497332.db2.gz HMLWMICSBWYIEM-HZPDHXFCSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1ccncc1Cl ZINC001442317106 1096635536 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EEAEHO CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1cn(C(C)C)nc1C ZINC001444027983 1098546383 /nfs/dbraw/zinc/54/63/83/1098546383.db2.gz FJIXCWVQNSDXPK-AEFFLSMTSA-N 1 3 349.523 2.099 10 0 EEAEHO CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1cn(C(C)C)nc1C ZINC001444027983 1098546387 /nfs/dbraw/zinc/54/63/87/1098546387.db2.gz FJIXCWVQNSDXPK-AEFFLSMTSA-N 1 3 349.523 2.099 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2scnc2C)C1 ZINC001479489113 1098562031 /nfs/dbraw/zinc/56/20/31/1098562031.db2.gz IGZXXRGNHSTGRL-LSDHHAIUSA-N 1 3 338.521 2.168 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCOC1CCC1)N(C)C ZINC001479566597 1098611952 /nfs/dbraw/zinc/61/19/52/1098611952.db2.gz BXRDCTAGLHJJBS-SOLBZPMBSA-N 1 3 339.524 2.112 10 0 EEAEHO O=C(NC[C@H](NCC=C(Cl)Cl)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001480020620 1099499097 /nfs/dbraw/zinc/49/90/97/1099499097.db2.gz JTUAGRIDJBAYSV-KBPBESRZSA-N 1 3 346.302 2.132 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC[C@H](NCc2ccccc2F)C2CC2)CC[N@@H+]1C ZINC001480022168 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10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCc2ccccc2F)C1 ZINC001494118502 1103549340 /nfs/dbraw/zinc/54/93/40/1103549340.db2.gz FWKYFWSETYLFBS-LPHOPBHVSA-N 1 3 347.478 2.243 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@H+](C)CC[C@@H]2CCCCO2)C1 ZINC001494178046 1103649699 /nfs/dbraw/zinc/64/96/99/1103649699.db2.gz FPORBHWUVQAEPQ-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)CC[C@@H]2CCCCO2)C1 ZINC001494178046 1103649701 /nfs/dbraw/zinc/64/97/01/1103649701.db2.gz FPORBHWUVQAEPQ-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)NC1(C[NH2+]C[C@H]2CCCOC2)CCCCC1 ZINC001448237433 1104228551 /nfs/dbraw/zinc/22/85/51/1104228551.db2.gz RZLHIHJTDSDZJZ-QGZVFWFLSA-N 1 3 339.524 2.162 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001480598035 1106736768 /nfs/dbraw/zinc/73/67/68/1106736768.db2.gz XZBMIZLJOZTRNW-IAGOWNOFSA-N 1 3 331.504 2.226 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001480675901 1106863281 /nfs/dbraw/zinc/86/32/81/1106863281.db2.gz KACHLENXEFJRGU-HNNXBMFYSA-N 1 3 338.883 2.015 10 0 EEAEHO CN(CCCNCc1c(F)cccc1Cl)C(=O)CC[NH+](C)C ZINC001498605983 1107798275 /nfs/dbraw/zinc/79/82/75/1107798275.db2.gz FQGFLNXKBOIVBM-UHFFFAOYSA-N 1 3 329.847 2.369 10 0 EEAEHO C[C@H]1CC[N@H+](CC(=O)N(C)CCCNCc2ccncc2Cl)C1 ZINC001498613495 1107810700 /nfs/dbraw/zinc/81/07/00/1107810700.db2.gz SAWNSSANGKTNDA-AWEZNQCLSA-N 1 3 338.883 2.015 10 0 EEAEHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCNCc2ccncc2Cl)C1 ZINC001498613495 1107810711 /nfs/dbraw/zinc/81/07/11/1107810711.db2.gz SAWNSSANGKTNDA-AWEZNQCLSA-N 1 3 338.883 2.015 10 0 EEAEHO Cc1nc(C)c(CNCCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)s1 ZINC001493547519 1108295060 /nfs/dbraw/zinc/29/50/60/1108295060.db2.gz URCQQUIWACDUNH-HNNXBMFYSA-N 1 3 338.521 2.181 10 0 EEAEHO Cc1nc(C)c(CNCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)s1 ZINC001493547519 1108295072 /nfs/dbraw/zinc/29/50/72/1108295072.db2.gz URCQQUIWACDUNH-HNNXBMFYSA-N 1 3 338.521 2.181 10 0 EEAEHO CS[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C[C@H]1N(C)C ZINC001457737743 1109749781 /nfs/dbraw/zinc/74/97/81/1109749781.db2.gz BTDUXLOMANUVBT-MHORFTMASA-N 1 3 347.528 2.183 10 0 EEAEHO CS[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C[C@H]1N(C)C ZINC001457737743 1109749784 /nfs/dbraw/zinc/74/97/84/1109749784.db2.gz BTDUXLOMANUVBT-MHORFTMASA-N 1 3 347.528 2.183 10 0 EEAEHO C[C@H](C(=O)N(C)C[C@H](C)NCc1cncs1)[NH+]1CCCCCC1 ZINC001507128128 1115122887 /nfs/dbraw/zinc/12/28/87/1115122887.db2.gz AVPDFPYXXPOOBG-LSDHHAIUSA-N 1 3 338.521 2.344 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)nc2C)C[C@H]1C ZINC001507329485 1115195604 /nfs/dbraw/zinc/19/56/04/1115195604.db2.gz VJWOOWIFUJLSJJ-QAPCUYQASA-N 1 3 332.492 2.119 10 0 EEAEHO Cc1nc(CN[C@@H]2CCC[C@H]3CN(C(=O)CCC[NH+](C)C)C[C@H]32)co1 ZINC001507361677 1115222402 /nfs/dbraw/zinc/22/24/02/1115222402.db2.gz NHIJUOVUSSZUKD-CGTJXYLNSA-N 1 3 348.491 2.042 10 0 EEAEHO CCOCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C(C)(C)C ZINC001508019681 1115389554 /nfs/dbraw/zinc/38/95/54/1115389554.db2.gz CUMVKNIKVPRFDT-DLBZAZTESA-N 1 3 341.540 2.406 10 0 EEAEHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001568281753 1124401741 /nfs/dbraw/zinc/40/17/41/1124401741.db2.gz WFDFPJJXQUCVTD-TZMCWYRMSA-N 1 3 326.872 2.012 10 0 EEAEHO C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001568300147 1124411497 /nfs/dbraw/zinc/41/14/97/1124411497.db2.gz LDLSUSHMZVKMHW-ROPFJZTFSA-N 1 3 333.879 2.388 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CCNCc2ocnc2C)C1 ZINC001568669904 1124684192 /nfs/dbraw/zinc/68/41/92/1124684192.db2.gz YRHGDSVZXDLADB-ZBFHGGJFSA-N 1 3 336.480 2.089 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CCNCc2ocnc2C)C1 ZINC001568669904 1124684196 /nfs/dbraw/zinc/68/41/96/1124684196.db2.gz YRHGDSVZXDLADB-ZBFHGGJFSA-N 1 3 336.480 2.089 10 0 EEAEHO O=C(NC/C=C\CNCc1ccc(C(F)F)cc1)C12CC[NH+](CC1)C2 ZINC001568949884 1124984791 /nfs/dbraw/zinc/98/47/91/1124984791.db2.gz GOGJKPRHYGOHFL-UPHRSURJSA-N 1 3 349.425 2.482 10 0 EEAEHO CN(C)Cc1cccc(C(=O)N(C)CCC[NH2+]C[C@H]2CCCOC2)c1 ZINC001569269364 1125208569 /nfs/dbraw/zinc/20/85/69/1125208569.db2.gz UQWOBQJKDNKVHT-GOSISDBHSA-N 1 3 347.503 2.227 10 0 EEAEHO c1csc(CN2CCC(C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)CC2)c1 ZINC000422827808 240247790 /nfs/dbraw/zinc/24/77/90/240247790.db2.gz NLJFEJFTOWBTNH-RTBURBONSA-N 1 3 349.544 2.317 10 0 EEAEHO c1csc(CN2CCC(C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)CC2)c1 ZINC000422827806 240248272 /nfs/dbraw/zinc/24/82/72/240248272.db2.gz NLJFEJFTOWBTNH-OALUTQOASA-N 1 3 349.544 2.317 10 0 EEAEHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000422916054 240289440 /nfs/dbraw/zinc/28/94/40/240289440.db2.gz ZQOXAMKTYHDVIN-VQTJNVASSA-N 1 3 331.504 2.383 10 0 EEAEHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000422916054 240289447 /nfs/dbraw/zinc/28/94/47/240289447.db2.gz ZQOXAMKTYHDVIN-VQTJNVASSA-N 1 3 331.504 2.383 10 0 EEAEHO C[C@@H]1CC[C@@](CO)(N(C)CCC[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)C1 ZINC000495196954 247084920 /nfs/dbraw/zinc/08/49/20/247084920.db2.gz SWCWSNFQYJTANL-MKXGPGLRSA-N 1 3 326.525 2.342 10 0 EEAEHO C[C@@H]1CC[C@@](CO)(N(C)CCC[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)C1 ZINC000495196954 247084923 /nfs/dbraw/zinc/08/49/23/247084923.db2.gz SWCWSNFQYJTANL-MKXGPGLRSA-N 1 3 326.525 2.342 10 0 EEAEHO C[C@@H]1CC[C@@](CO)([N@@H+](C)CCCN(C)[C@@]2(CO)CC[C@@H](C)C2)C1 ZINC000495196954 247084926 /nfs/dbraw/zinc/08/49/26/247084926.db2.gz SWCWSNFQYJTANL-MKXGPGLRSA-N 1 3 326.525 2.342 10 0 EEAEHO C[C@@H]1CC[C@@](CO)([N@H+](C)CCCN(C)[C@@]2(CO)CC[C@@H](C)C2)C1 ZINC000495196954 247084930 /nfs/dbraw/zinc/08/49/30/247084930.db2.gz SWCWSNFQYJTANL-MKXGPGLRSA-N 1 3 326.525 2.342 10 0 EEAEHO CCOC(=O)C1CCC(O)(CN2CC[C@@H](C[NH+](CC)CC)C2)CC1 ZINC000190918648 256003633 /nfs/dbraw/zinc/00/36/33/256003633.db2.gz CMDJLCYADQQMPK-MUYFXNHWSA-N 1 3 340.508 2.135 10 0 EEAEHO CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@@H](CN(CC)CC)C2)CC1 ZINC000190918648 256003635 /nfs/dbraw/zinc/00/36/35/256003635.db2.gz CMDJLCYADQQMPK-MUYFXNHWSA-N 1 3 340.508 2.135 10 0 EEAEHO CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@@H](CN(CC)CC)C2)CC1 ZINC000190918648 256003638 /nfs/dbraw/zinc/00/36/38/256003638.db2.gz CMDJLCYADQQMPK-MUYFXNHWSA-N 1 3 340.508 2.135 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)N(C)C)cc1 ZINC000247203692 160314728 /nfs/dbraw/zinc/31/47/28/160314728.db2.gz LSNALJRMZLWEQD-QRQLOZEOSA-N 1 3 344.503 2.476 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)N(C)C)cc1 ZINC000247203692 160314729 /nfs/dbraw/zinc/31/47/29/160314729.db2.gz LSNALJRMZLWEQD-QRQLOZEOSA-N 1 3 344.503 2.476 10 0 EEAEHO C[C@H](NC(=O)N1CCN2CCC[C@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248408009 160344761 /nfs/dbraw/zinc/34/47/61/160344761.db2.gz VBTFOCIWZRXQKL-JZXOWHBKSA-N 1 3 334.508 2.129 10 0 EEAEHO C[C@H](NC(=O)N1CCN2CCC[C@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248408009 160344762 /nfs/dbraw/zinc/34/47/62/160344762.db2.gz VBTFOCIWZRXQKL-JZXOWHBKSA-N 1 3 334.508 2.129 10 0 EEAEHO c1c2c(nn1-c1ccccc1)CCC[C@H]2NCCCN1CC[NH2+]CC1 ZINC000423179673 275063438 /nfs/dbraw/zinc/06/34/38/275063438.db2.gz HZAFDCAPUFZDSE-LJQANCHMSA-N 1 3 339.487 2.135 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000170863052 276670165 /nfs/dbraw/zinc/67/01/65/276670165.db2.gz HTNSYADWAHPWSN-ZWKOTPCHSA-N 1 3 332.492 2.197 10 0 EEAEHO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261821234 279063648 /nfs/dbraw/zinc/06/36/48/279063648.db2.gz IJBZWWUGVNVWOK-UONOGXRCSA-N 1 3 335.414 2.109 10 0 EEAEHO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261821234 279063651 /nfs/dbraw/zinc/06/36/51/279063651.db2.gz IJBZWWUGVNVWOK-UONOGXRCSA-N 1 3 335.414 2.109 10 0 EEAEHO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261821234 279063653 /nfs/dbraw/zinc/06/36/53/279063653.db2.gz IJBZWWUGVNVWOK-UONOGXRCSA-N 1 3 335.414 2.109 10 0 EEAEHO C[C@H](CNC(=O)c1ccccc1OCCN(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000249944854 279345690 /nfs/dbraw/zinc/34/56/90/279345690.db2.gz YFMXFZHKYYQHLV-IAGOWNOFSA-N 1 3 347.503 2.477 10 0 EEAEHO C[C@H](CNC(=O)c1ccccc1OCCN(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000249944854 279345691 /nfs/dbraw/zinc/34/56/91/279345691.db2.gz YFMXFZHKYYQHLV-IAGOWNOFSA-N 1 3 347.503 2.477 10 0 EEAEHO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@H](N2CC=CC2)C1 ZINC000176027264 295621395 /nfs/dbraw/zinc/62/13/95/295621395.db2.gz FDGVVOFLXOHAQE-SFHVURJKSA-N 1 3 332.492 2.049 10 0 EEAEHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414938369 313112620 /nfs/dbraw/zinc/11/26/20/313112620.db2.gz IMDLYDNNPMWHKG-IIDMSEBBSA-N 1 3 343.471 2.429 10 0 EEAEHO CN(C)[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000416813070 313322930 /nfs/dbraw/zinc/32/29/30/313322930.db2.gz UCTUQIZERATROB-HKUYNNGSSA-N 1 3 330.476 2.074 10 0 EEAEHO CC[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)N1CCc2ccccc2C1 ZINC000417014823 313395638 /nfs/dbraw/zinc/39/56/38/313395638.db2.gz LMIVITIZJLGISM-ATZDWAIDSA-N 1 3 344.503 2.121 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000418587671 313853887 /nfs/dbraw/zinc/85/38/87/313853887.db2.gz GZRSJVQZFQVLPP-WQVCFCJDSA-N 1 3 338.883 2.240 10 0 EEAEHO CN1CCC(C[NH2+]C2CC3(C2)CCCCC3)(N2CCOCC2)CC1 ZINC000421389236 314095604 /nfs/dbraw/zinc/09/56/04/314095604.db2.gz XEHBIOKXYFLQNZ-UHFFFAOYSA-N 1 3 335.536 2.486 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC[N@@H+]1C ZINC000525620640 317063720 /nfs/dbraw/zinc/06/37/20/317063720.db2.gz CFXRLDLXEKIZLO-QRQLOZEOSA-N 1 3 344.503 2.235 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC[N@H+]1C ZINC000525620640 317063725 /nfs/dbraw/zinc/06/37/25/317063725.db2.gz CFXRLDLXEKIZLO-QRQLOZEOSA-N 1 3 344.503 2.235 10 0 EEAEHO [NH3+]C1(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CCCCCC1 ZINC000564214504 319072994 /nfs/dbraw/zinc/07/29/94/319072994.db2.gz POVIWMBPFDSEPK-GOSISDBHSA-N 1 3 344.503 2.462 10 0 EEAEHO C[C@@H](NC(=O)N1CCc2ccccc2[C@H]1CN)C(C)(C)C[NH+](C)C ZINC000575178540 320093561 /nfs/dbraw/zinc/09/35/61/320093561.db2.gz HBTUMDGBMQUTMC-RHSMWYFYSA-N 1 3 332.492 2.230 10 0 EEAEHO CC1(C)CCCN[C@@H]1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000581656848 324297312 /nfs/dbraw/zinc/29/73/12/324297312.db2.gz YMRPEEVPIPVJFE-CGTJXYLNSA-N 1 3 347.478 2.413 10 0 EEAEHO CCC(CC)[C@@H](CNC(=O)NCCNc1ccncc1)[NH+]1CCCC1 ZINC000356307887 465303694 /nfs/dbraw/zinc/30/36/94/465303694.db2.gz WEXBFKUVAAXDLP-GOSISDBHSA-N 1 3 347.507 2.115 10 0 EEAEHO c1ccc(CN2C[C@H](C[NH2+][C@H]3CCOC3)C3(C2)CCOCC3)cc1 ZINC000339493251 465305525 /nfs/dbraw/zinc/30/55/25/465305525.db2.gz GXBSUZVIYYZSQS-OALUTQOASA-N 1 3 330.472 2.294 10 0 EEAEHO c1ccc(C[N@H+]2C[C@H](CN[C@H]3CCOC3)C3(C2)CCOCC3)cc1 ZINC000339493251 465305533 /nfs/dbraw/zinc/30/55/33/465305533.db2.gz GXBSUZVIYYZSQS-OALUTQOASA-N 1 3 330.472 2.294 10 0 EEAEHO c1ccc(C[N@@H+]2C[C@H](CN[C@H]3CCOC3)C3(C2)CCOCC3)cc1 ZINC000339493251 465305541 /nfs/dbraw/zinc/30/55/41/465305541.db2.gz GXBSUZVIYYZSQS-OALUTQOASA-N 1 3 330.472 2.294 10 0 EEAEHO Cc1ccc([C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1F ZINC000088785268 462646670 /nfs/dbraw/zinc/64/66/70/462646670.db2.gz BNKUNLBQTGAWJZ-OAHLLOKOSA-N 1 3 338.471 2.330 10 0 EEAEHO C[C@H](CC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)[S@](C)=O ZINC000090515628 462794487 /nfs/dbraw/zinc/79/44/87/462794487.db2.gz IFGCTOIBUZCGDL-ZCCHDVMBSA-N 1 3 326.506 2.435 10 0 EEAEHO CC[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000268501893 463770140 /nfs/dbraw/zinc/77/01/40/463770140.db2.gz IDOIOBWVDUZJLS-IBGZPJMESA-N 1 3 344.503 2.387 10 0 EEAEHO C[NH+](C)Cc1cccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000261775728 463856134 /nfs/dbraw/zinc/85/61/34/463856134.db2.gz XJQZJKFSCYWLQQ-GPMSIDNRSA-N 1 3 331.460 2.219 10 0 EEAEHO CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000186215430 463953072 /nfs/dbraw/zinc/95/30/72/463953072.db2.gz HHEFGYCKQWAMEW-SFHVURJKSA-N 1 3 332.492 2.244 10 0 EEAEHO CN1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000195123584 463997167 /nfs/dbraw/zinc/99/71/67/463997167.db2.gz GGGCVXZZUUHLHT-GOSISDBHSA-N 1 3 330.476 2.176 10 0 EEAEHO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000195130098 463998996 /nfs/dbraw/zinc/99/89/96/463998996.db2.gz LNKGQCWRSKKWLB-MSOLQXFVSA-N 1 3 330.476 2.044 10 0 EEAEHO C[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000195130098 463999002 /nfs/dbraw/zinc/99/90/02/463999002.db2.gz LNKGQCWRSKKWLB-MSOLQXFVSA-N 1 3 330.476 2.044 10 0 EEAEHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000246528393 464595928 /nfs/dbraw/zinc/59/59/28/464595928.db2.gz XSDMJDVZUFYFRD-FLXSYLCISA-N 1 3 338.540 2.477 10 0 EEAEHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000246528393 464595934 /nfs/dbraw/zinc/59/59/34/464595934.db2.gz XSDMJDVZUFYFRD-FLXSYLCISA-N 1 3 338.540 2.477 10 0 EEAEHO CN1CCC(C[NH2+]C[C@H](O)CC2CCCC2)(N2CCCCC2)CC1 ZINC000579827059 468418447 /nfs/dbraw/zinc/41/84/47/468418447.db2.gz FOTHJUYPGPRCCZ-LJQANCHMSA-N 1 3 337.552 2.468 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCN1CCc2ccccc2C1 ZINC000354215207 466384382 /nfs/dbraw/zinc/38/43/82/466384382.db2.gz GRZFBCOBYVPFTD-QGZVFWFLSA-N 1 3 329.488 2.425 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1CCNC(=O)CCN1CCc2ccccc2C1 ZINC000354215207 466384392 /nfs/dbraw/zinc/38/43/92/466384392.db2.gz GRZFBCOBYVPFTD-QGZVFWFLSA-N 1 3 329.488 2.425 10 0 EEAEHO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c1 ZINC000367613957 466448804 /nfs/dbraw/zinc/44/88/04/466448804.db2.gz GOBUVJUDIBWGJT-DZOHQFGASA-N 1 3 334.460 2.200 10 0 EEAEHO COc1ccc(OC)c([C@H](O)CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367613957 466448810 /nfs/dbraw/zinc/44/88/10/466448810.db2.gz GOBUVJUDIBWGJT-DZOHQFGASA-N 1 3 334.460 2.200 10 0 EEAEHO COc1ccc(OC)c([C@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367613957 466448814 /nfs/dbraw/zinc/44/88/14/466448814.db2.gz GOBUVJUDIBWGJT-DZOHQFGASA-N 1 3 334.460 2.200 10 0 EEAEHO C[N@@H+]1CC[C@H](NCc2ccc(Cn3cncn3)cc2)[C@@H]2CCC[C@H]21 ZINC000367616000 466450684 /nfs/dbraw/zinc/45/06/84/466450684.db2.gz MTHXDRDIAHXFCT-GBESFXJTSA-N 1 3 325.460 2.289 10 0 EEAEHO C[N@H+]1CC[C@H](NCc2ccc(Cn3cncn3)cc2)[C@@H]2CCC[C@H]21 ZINC000367616000 466450688 /nfs/dbraw/zinc/45/06/88/466450688.db2.gz MTHXDRDIAHXFCT-GBESFXJTSA-N 1 3 325.460 2.289 10 0 EEAEHO CC1=CCN(CCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000358189803 466525689 /nfs/dbraw/zinc/52/56/89/466525689.db2.gz MODCUHCZAXEOHF-IBGZPJMESA-N 1 3 342.487 2.212 10 0 EEAEHO CC1=CCN(CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000358189803 466525697 /nfs/dbraw/zinc/52/56/97/466525697.db2.gz MODCUHCZAXEOHF-IBGZPJMESA-N 1 3 342.487 2.212 10 0 EEAEHO CC(C)[C@H](CNC(=O)N1CCN2CCC1CC2)[NH+]1CCC(C)CC1 ZINC000375137320 466817422 /nfs/dbraw/zinc/81/74/22/466817422.db2.gz YSLPAIXQUUUCMW-SFHVURJKSA-N 1 3 336.524 2.233 10 0 EEAEHO CC(C)N1CCN(C2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)CC1 ZINC000373697871 466891146 /nfs/dbraw/zinc/89/11/46/466891146.db2.gz RTZDTPDAEOGJKI-FQEVSTJZSA-N 1 3 337.552 2.418 10 0 EEAEHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417666113 466903486 /nfs/dbraw/zinc/90/34/86/466903486.db2.gz FCMWEKFWNMMGTH-QYZOEREBSA-N 1 3 342.487 2.044 10 0 EEAEHO CC1(C)CCC[NH2+][C@H]1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424214223 467005396 /nfs/dbraw/zinc/00/53/96/467005396.db2.gz CCNBUZAMIPEUSL-OTWHNJEPSA-N 1 3 341.499 2.498 10 0 EEAEHO CN1CCCC(C)(C)[C@H]1CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000418103733 467045649 /nfs/dbraw/zinc/04/56/49/467045649.db2.gz WQESHAUEVPBWPK-GOSISDBHSA-N 1 3 346.519 2.320 10 0 EEAEHO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc(C)c1O ZINC000377657965 467108339 /nfs/dbraw/zinc/10/83/39/467108339.db2.gz IVZVWSJYFIIRNN-PKOBYXMFSA-N 1 3 331.504 2.467 10 0 EEAEHO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc(C)c1O ZINC000377657965 467108340 /nfs/dbraw/zinc/10/83/40/467108340.db2.gz IVZVWSJYFIIRNN-PKOBYXMFSA-N 1 3 331.504 2.467 10 0 EEAEHO Cc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc(C)c1O ZINC000377657965 467108341 /nfs/dbraw/zinc/10/83/41/467108341.db2.gz IVZVWSJYFIIRNN-PKOBYXMFSA-N 1 3 331.504 2.467 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418501848 467121097 /nfs/dbraw/zinc/12/10/97/467121097.db2.gz SVDOAWWQJOACBB-FSPWUOQZSA-N 1 3 326.444 2.137 10 0 EEAEHO CC(C)(O)CCN1CCCC2(CCC[N@H+](CCC(C)(C)O)C2)C1 ZINC000377728445 467128216 /nfs/dbraw/zinc/12/82/16/467128216.db2.gz UFDSHPSGHBPXHA-UHFFFAOYSA-N 1 3 326.525 2.486 10 0 EEAEHO CC(C)(O)CCN1CCCC2(CCC[N@@H+](CCC(C)(C)O)C2)C1 ZINC000377728445 467128219 /nfs/dbraw/zinc/12/82/19/467128219.db2.gz UFDSHPSGHBPXHA-UHFFFAOYSA-N 1 3 326.525 2.486 10 0 EEAEHO CN(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418557454 467128533 /nfs/dbraw/zinc/12/85/33/467128533.db2.gz BAKITCCGXOTFSY-KSZLIROESA-N 1 3 330.476 2.172 10 0 EEAEHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000377897615 467161460 /nfs/dbraw/zinc/16/14/60/467161460.db2.gz BGDNKPUAOXUZMF-MAUKXSAKSA-N 1 3 327.488 2.389 10 0 EEAEHO CCO[C@@H]1C[C@H]([NH2+]CC(=O)NC2CCN(C3CC3)CC2)C12CCCC2 ZINC000450970026 467217979 /nfs/dbraw/zinc/21/79/79/467217979.db2.gz MFQDZYJVZRZWCH-ZWKOTPCHSA-N 1 3 349.519 2.057 10 0 EEAEHO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000382714721 467378493 /nfs/dbraw/zinc/37/84/93/467378493.db2.gz ZMNHNLKRPXGFOQ-NZSAHSFTSA-N 1 3 329.488 2.484 10 0 EEAEHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)C1 ZINC000414707475 467431236 /nfs/dbraw/zinc/43/12/36/467431236.db2.gz PQJYBWLZFBCDPO-WMZOPIPTSA-N 1 3 333.451 2.030 10 0 EEAEHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)C1 ZINC000414707475 467431238 /nfs/dbraw/zinc/43/12/38/467431238.db2.gz PQJYBWLZFBCDPO-WMZOPIPTSA-N 1 3 333.451 2.030 10 0 EEAEHO CN(C[C@H](O)C[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)C1CC1 ZINC000397898075 467444726 /nfs/dbraw/zinc/44/47/26/467444726.db2.gz QYWFSJGZMQVPPB-WOJBJXKFSA-N 1 3 331.504 2.086 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2N(C)CCCC2(C)C)[C@H](C)C1 ZINC000448252765 467590696 /nfs/dbraw/zinc/59/06/96/467590696.db2.gz RPXSRKLUJMULFF-IXDOHACOSA-N 1 3 338.540 2.479 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2N(C)CCCC2(C)C)[C@H](C)C1 ZINC000448252765 467590697 /nfs/dbraw/zinc/59/06/97/467590697.db2.gz RPXSRKLUJMULFF-IXDOHACOSA-N 1 3 338.540 2.479 10 0 EEAEHO Cc1ncncc1[C@@H](C)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000517960177 468103559 /nfs/dbraw/zinc/10/35/59/468103559.db2.gz JLYUYBZKDPJRMA-MRXNPFEDSA-N 1 3 340.471 2.463 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000569575493 468512559 /nfs/dbraw/zinc/51/25/59/468512559.db2.gz BJODVTQKAWWVSA-KBAYOESNSA-N 1 3 330.476 2.121 10 0 EEAEHO O=C(NCC1CC[NH+](C2CC2)CC1)Nc1ccc2c(c1F)CCNC2 ZINC000569819619 468548657 /nfs/dbraw/zinc/54/86/57/468548657.db2.gz PHWADGMIQUDBDG-UHFFFAOYSA-N 1 3 346.450 2.467 10 0 EEAEHO NC[C@H]1c2ccccc2CCN1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000563092270 469168338 /nfs/dbraw/zinc/16/83/38/469168338.db2.gz JDHSMLNTHRDXHF-IBGZPJMESA-N 1 3 342.487 2.129 10 0 EEAEHO CC(C)(CNC(=O)N1CCc2ccccc2[C@@H]1CN)C[NH+]1CCCC1 ZINC000563092428 469168653 /nfs/dbraw/zinc/16/86/53/469168653.db2.gz KASYNQQYEPHLPG-SFHVURJKSA-N 1 3 344.503 2.376 10 0 EEAEHO CCOC(=O)C[C@H](O)CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000599280446 469188588 /nfs/dbraw/zinc/18/85/88/469188588.db2.gz AFKBVLKEOAUCQX-IBGZPJMESA-N 1 3 348.487 2.145 10 0 EEAEHO CCOC(=O)C[C@H](O)CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000599280446 469188595 /nfs/dbraw/zinc/18/85/95/469188595.db2.gz AFKBVLKEOAUCQX-IBGZPJMESA-N 1 3 348.487 2.145 10 0 EEAEHO COC(=O)C1C[C@@H](C)[NH+](CCCN2CCN(C(C)C)CC2)[C@H](C)C1 ZINC000599698037 469342391 /nfs/dbraw/zinc/34/23/91/469342391.db2.gz ULKCCZFYNIZCOK-IAGOWNOFSA-N 1 3 339.524 2.065 10 0 EEAEHO CN1CCC[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000618546195 469384138 /nfs/dbraw/zinc/38/41/38/469384138.db2.gz CKZPJKSLMLHMLI-ROUUACIJSA-N 1 3 330.476 2.217 10 0 EEAEHO C[C@]1(CNC(=O)N[C@@]2(C)CC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000612902163 469575828 /nfs/dbraw/zinc/57/58/28/469575828.db2.gz RBFYCPKWRKWIQK-RBUKOAKNSA-N 1 3 330.476 2.092 10 0 EEAEHO C[NH2+]CCOCCN(C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000629566970 469580842 /nfs/dbraw/zinc/58/08/42/469580842.db2.gz CGJRRLMCDSYBHZ-UHFFFAOYSA-N 1 3 348.274 2.490 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000617505703 469703857 /nfs/dbraw/zinc/70/38/57/469703857.db2.gz NCBUQWAPCQSGCX-HNNXBMFYSA-N 1 3 343.475 2.079 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000617505703 469703862 /nfs/dbraw/zinc/70/38/62/469703862.db2.gz NCBUQWAPCQSGCX-HNNXBMFYSA-N 1 3 343.475 2.079 10 0 EEAEHO Cc1ccccc1C1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000617504863 469704138 /nfs/dbraw/zinc/70/41/38/469704138.db2.gz NFVNIJWOEPZPFG-KRWDZBQOSA-N 1 3 331.504 2.415 10 0 EEAEHO Cc1ccccc1C1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000617504863 469704141 /nfs/dbraw/zinc/70/41/41/469704141.db2.gz NFVNIJWOEPZPFG-KRWDZBQOSA-N 1 3 331.504 2.415 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(F)c(F)c1F ZINC000617505407 469704539 /nfs/dbraw/zinc/70/45/39/469704539.db2.gz BJZDRUAQYOFANI-NSHDSACASA-N 1 3 331.382 2.106 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000617504511 469704208 /nfs/dbraw/zinc/70/42/08/469704208.db2.gz ZBBAMSSIMAOTIE-HNNXBMFYSA-N 1 3 343.475 2.079 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000617504511 469704212 /nfs/dbraw/zinc/70/42/12/469704212.db2.gz ZBBAMSSIMAOTIE-HNNXBMFYSA-N 1 3 343.475 2.079 10 0 EEAEHO CCOc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1C ZINC000617505778 469704510 /nfs/dbraw/zinc/70/45/10/469704510.db2.gz PTMSQFKRIUTDBH-INIZCTEOSA-N 1 3 335.492 2.396 10 0 EEAEHO CCOc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1C ZINC000617505778 469704512 /nfs/dbraw/zinc/70/45/12/469704512.db2.gz PTMSQFKRIUTDBH-INIZCTEOSA-N 1 3 335.492 2.396 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(F)c(F)c1F ZINC000617505407 469704536 /nfs/dbraw/zinc/70/45/36/469704536.db2.gz BJZDRUAQYOFANI-NSHDSACASA-N 1 3 331.382 2.106 10 0 EEAEHO CCN(C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000617551057 469722046 /nfs/dbraw/zinc/72/20/46/469722046.db2.gz KDZYLIKDSYREAU-WOJBJXKFSA-N 1 3 343.515 2.494 10 0 EEAEHO CCN(C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000617551057 469722052 /nfs/dbraw/zinc/72/20/52/469722052.db2.gz KDZYLIKDSYREAU-WOJBJXKFSA-N 1 3 343.515 2.494 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C[NH2+]1 ZINC000626939446 469763275 /nfs/dbraw/zinc/76/32/75/469763275.db2.gz DLKGDJUPUODLTC-NJAFHUGGSA-N 1 3 330.476 2.091 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000627039473 469799019 /nfs/dbraw/zinc/79/90/19/469799019.db2.gz XVORMNZPAYGLNM-DZJNRPSUSA-N 1 3 330.476 2.089 10 0 EEAEHO C[C@H]1CC[C@@H](NC(=O)NCC2(N(C)Cc3ccccc3)CCC2)C[NH2+]1 ZINC000627050190 469802349 /nfs/dbraw/zinc/80/23/49/469802349.db2.gz DRSWJONYYGFSEG-FUHWJXTLSA-N 1 3 344.503 2.481 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000627170314 469833245 /nfs/dbraw/zinc/83/32/45/469833245.db2.gz NETRKVVYPOOHCJ-ZWKOTPCHSA-N 1 3 330.476 2.044 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C[NH2+]1 ZINC000627199905 469841412 /nfs/dbraw/zinc/84/14/12/469841412.db2.gz FZGAFFYZFHQITF-BPQIPLTHSA-N 1 3 330.476 2.043 10 0 EEAEHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)CC1 ZINC000624265187 469892842 /nfs/dbraw/zinc/89/28/42/469892842.db2.gz OHEDAMFGLXNCCH-LJQANCHMSA-N 1 3 346.519 2.135 10 0 EEAEHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H](O)CC1(O)CCC1 ZINC000625284979 470112167 /nfs/dbraw/zinc/11/21/67/470112167.db2.gz ODNBTLYCFFPHOU-IBGZPJMESA-N 1 3 347.503 2.286 10 0 EEAEHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H](O)CC1(O)CCC1 ZINC000625284979 470112168 /nfs/dbraw/zinc/11/21/68/470112168.db2.gz ODNBTLYCFFPHOU-IBGZPJMESA-N 1 3 347.503 2.286 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCC34CC4)CC2)CC1 ZINC000632978961 470305758 /nfs/dbraw/zinc/30/57/58/470305758.db2.gz MEGSIQLGDSOWPQ-QGZVFWFLSA-N 1 3 334.508 2.177 10 0 EEAEHO 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343.471 2.325 10 0 EEAEHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc3cc[nH]c3c1)C2 ZINC000930601661 1206569596 /nfs/dbraw/zinc/56/95/96/1206569596.db2.gz JRUCEVDYHKKFBH-PXNSSMCTSA-N 1 3 343.471 2.325 10 0 EEAEHO c1ccc(C[N@H+]2CC[C@H]3CN(C[C@@H]4C[C@H]5COC[C@@H]5O4)C[C@H]3C2)cc1 ZINC000931747611 1207455350 /nfs/dbraw/zinc/45/53/50/1207455350.db2.gz TZBVMALYUFLHPH-WHZJULEDSA-N 1 3 342.483 2.244 10 0 EEAEHO c1ccc(C[N@@H+]2CC[C@H]3CN(C[C@@H]4C[C@H]5COC[C@@H]5O4)C[C@H]3C2)cc1 ZINC000931747611 1207455354 /nfs/dbraw/zinc/45/53/54/1207455354.db2.gz TZBVMALYUFLHPH-WHZJULEDSA-N 1 3 342.483 2.244 10 0 EEAEHO CN1C[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@]2(C)C1 ZINC000933741288 1207831327 /nfs/dbraw/zinc/83/13/27/1207831327.db2.gz SYXJJFNSNASNCC-QBIMZIAESA-N 1 3 333.863 2.329 10 0 EEAEHO CN1C[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@]2(C)C1 ZINC000933741288 1207831328 /nfs/dbraw/zinc/83/13/28/1207831328.db2.gz SYXJJFNSNASNCC-QBIMZIAESA-N 1 3 333.863 2.329 10 0 EEAEHO CCN1CCN(CCC[NH2+][C@H](CC(C)C)C2CCOCC2)CC1 ZINC000902745627 1238382278 /nfs/dbraw/zinc/38/22/78/1238382278.db2.gz RSKIREAHGNBIRQ-LJQANCHMSA-N 1 3 325.541 2.445 10 0 EEAEHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(n2cc(Br)cn2)CC1 ZINC000903437148 1240470607 /nfs/dbraw/zinc/47/06/07/1240470607.db2.gz FZLDFXSLDSHEQN-NEPJUHHUSA-N 1 3 327.270 2.138 10 0 EEAEHO COc1ccc(CN(C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1C ZINC000903888410 1242338815 /nfs/dbraw/zinc/33/88/15/1242338815.db2.gz BIKWSYXKQZMNGI-QGZVFWFLSA-N 1 3 330.476 2.295 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN[C@@H]2c3ccccc3NC2(C)C)cnn1C ZINC000903947542 1242658773 /nfs/dbraw/zinc/65/87/73/1242658773.db2.gz AFJKQNBWKRQSLP-RDTXWAMCSA-N 1 3 327.476 2.381 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Cl)n1 ZINC000827205394 1250738056 /nfs/dbraw/zinc/73/80/56/1250738056.db2.gz MGHKNUKPUPWIQI-RBSFLKMASA-N 1 3 336.867 2.176 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(Cl)n1 ZINC000827205394 1250738069 /nfs/dbraw/zinc/73/80/69/1250738069.db2.gz MGHKNUKPUPWIQI-RBSFLKMASA-N 1 3 336.867 2.176 10 0 EEAEHO Cc1ccc(CN[C@@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)c(C)n1 ZINC001491495296 1259145837 /nfs/dbraw/zinc/14/58/37/1259145837.db2.gz MMSCPUWWTUMYFE-INIZCTEOSA-N 1 3 344.503 2.169 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2cncs2)C1)N(C)C ZINC001267887494 1276753565 /nfs/dbraw/zinc/75/35/65/1276753565.db2.gz KXPSRJFUZMXXSA-GDBMZVCRSA-N 1 3 338.521 2.202 10 0 EEAEHO C[C@@H](CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[NH+]1CCCCC1 ZINC000850760253 1277332156 /nfs/dbraw/zinc/33/21/56/1277332156.db2.gz XGBRRFVUTMNOLJ-YJBOKZPZSA-N 1 3 346.475 2.343 10 0 EEAEHO Cc1ccc(C[NH2+][C@H](CNC(=O)CN2CC[C@H](C)C2)C2CC2)cc1F ZINC001490708622 1291591988 /nfs/dbraw/zinc/59/19/88/1291591988.db2.gz CWXGPIFRRFHJTO-IFXJQAMLSA-N 1 3 347.478 2.460 10 0 EEAEHO Cc1oncc1CN[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001490740828 1291655047 /nfs/dbraw/zinc/65/50/47/1291655047.db2.gz GWOWTHOCHWZVIH-ROUUACIJSA-N 1 3 348.491 2.088 10 0 EEAEHO CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)C1CCC1 ZINC001277308361 1302301547 /nfs/dbraw/zinc/30/15/47/1302301547.db2.gz IACCPDKSOVGVMW-ZNXRZULTSA-N 1 3 337.508 2.009 10 0 EEAEHO CC(C)CCOCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001277786185 1304485147 /nfs/dbraw/zinc/48/51/47/1304485147.db2.gz UNGZSCDIEJTLMP-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ncsc1CNC[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001277981656 1305561443 /nfs/dbraw/zinc/56/14/43/1305561443.db2.gz OCELDLMQHCBIKL-HNNXBMFYSA-N 1 3 338.521 2.264 10 0 EEAEHO CC[C@H](C(=O)NCC1([NH2+]CCCC(C)(C)C)CCOCC1)N(C)C ZINC001278728117 1317872720 /nfs/dbraw/zinc/87/27/20/1317872720.db2.gz BNJYMOFCHBZNQP-MRXNPFEDSA-N 1 3 341.540 2.408 10 0 EEAEHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCCc3cccc(F)c3)C2)C1 ZINC001265557780 1323218421 /nfs/dbraw/zinc/21/84/21/1323218421.db2.gz FMYPKVXQNJURJY-ZYSHUDEJSA-N 1 3 347.478 2.337 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001265923544 1323489466 /nfs/dbraw/zinc/48/94/66/1323489466.db2.gz ROFXUFHMOSAZGP-RBUKOAKNSA-N 1 3 329.488 2.294 10 0 EEAEHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001266154561 1323724025 /nfs/dbraw/zinc/72/40/25/1323724025.db2.gz CDCUWMVANNHTBF-GXTWGEPZSA-N 1 3 326.872 2.060 10 0 EEAEHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+]CCC(F)(F)F)C1)CC(C)(C)C ZINC001283080969 1325912225 /nfs/dbraw/zinc/91/22/25/1325912225.db2.gz YAXVLYJAYWGKQY-JOCQHMNTSA-N 1 3 337.430 2.401 10 0 EEAEHO CCc1nc(C)c(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCCN2C)o1 ZINC001283147758 1325934897 /nfs/dbraw/zinc/93/48/97/1325934897.db2.gz XLRKDLQFBGUYMS-DZGCQCFKSA-N 1 3 336.480 2.014 10 0 EEAEHO Cc1cccc(OCC[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C(C)C)C2)c1 ZINC001284031138 1326371497 /nfs/dbraw/zinc/37/14/97/1326371497.db2.gz JBLRATMKZCMBCI-ZWKOTPCHSA-N 1 3 347.503 2.293 10 0 EEAEHO CCOCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001316668737 1330254140 /nfs/dbraw/zinc/25/41/40/1330254140.db2.gz HEOFMMZJSSHCBA-SJORKVTESA-N 1 3 339.524 2.066 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCc2ccccc2Cl)C1 ZINC001491790199 1330256767 /nfs/dbraw/zinc/25/67/67/1330256767.db2.gz BFZBVOUAKYVBRX-CRAIPNDOSA-N 1 3 349.906 2.415 10 0 EEAEHO C[NH+](C)CCC(=O)N1CC[C@@H](CNCc2c(F)cccc2Cl)C1 ZINC001491830905 1330267467 /nfs/dbraw/zinc/26/74/67/1330267467.db2.gz BHRWIUUATKMGHC-ZDUSSCGKSA-N 1 3 341.858 2.369 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001491859258 1330276697 /nfs/dbraw/zinc/27/66/97/1330276697.db2.gz RWQDDHAXHIYPGK-OAHLLOKOSA-N 1 3 338.883 2.013 10 0 EEAEHO CC[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCc2ccccc2C1)N(C)C ZINC001317631592 1332338110 /nfs/dbraw/zinc/33/81/10/1332338110.db2.gz ZMOBOXONPTVLCH-APWZRJJASA-N 1 3 331.504 2.180 10 0 EEAEHO Cc1ncc(CNCCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)s1 ZINC001317635883 1332340695 /nfs/dbraw/zinc/34/06/95/1332340695.db2.gz IDFBNXUCKDXTEG-CQSZACIVSA-N 1 3 338.521 2.264 10 0 EEAEHO CC(C)OCC[NH2+][C@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001317684672 1332371737 /nfs/dbraw/zinc/37/17/37/1332371737.db2.gz CKNFRJZUSARJQE-MRXNPFEDSA-N 1 3 339.524 2.112 10 0 EEAEHO COCCCCN1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001317955101 1332451002 /nfs/dbraw/zinc/45/10/02/1332451002.db2.gz DQGHVRVMXNEMEQ-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCc1ccc(C)cc1)N(C)C ZINC001319124194 1332652586 /nfs/dbraw/zinc/65/25/86/1332652586.db2.gz GMZLTPDSDXUDOS-RTBURBONSA-N 1 3 331.504 2.458 10 0 EEAEHO CCN(CCNCc1ccc(F)c(F)c1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001320902266 1332975624 /nfs/dbraw/zinc/97/56/24/1332975624.db2.gz QWMLZRGLTAEVDX-KRWDZBQOSA-N 1 3 341.446 2.489 10 0 EEAEHO Cc1cc(C)c(C[NH2+]C/C=C/CNC(=O)CN2CCCC2)c(C)c1 ZINC001321406143 1333096520 /nfs/dbraw/zinc/09/65/20/1333096520.db2.gz UUALAOBKXYCSEX-SNAWJCMRSA-N 1 3 329.488 2.470 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001324671364 1333736035 /nfs/dbraw/zinc/73/60/35/1333736035.db2.gz CRLHBCFXGKYJJG-HXUWFJFHSA-N 1 3 347.503 2.369 10 0 EEAEHO CCOCCC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001324671364 1333736038 /nfs/dbraw/zinc/73/60/38/1333736038.db2.gz CRLHBCFXGKYJJG-HXUWFJFHSA-N 1 3 347.503 2.369 10 0 EEAEHO Cc1noc(C)c1CNCCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001330911376 1334925290 /nfs/dbraw/zinc/92/52/90/1334925290.db2.gz QJMJYZOMDCMHDV-CYBMUJFWSA-N 1 3 336.480 2.008 10 0 EEAEHO C[C@H]1C[C@H]([NH2+]CCOc2ccccc2)CN1C(=O)CN(C)C1CCC1 ZINC001331996672 1335700073 /nfs/dbraw/zinc/70/00/73/1335700073.db2.gz NEJIYMBGYVHUPJ-IRXDYDNUSA-N 1 3 345.487 2.129 10 0 EEAEHO C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1NCC=C(Cl)Cl ZINC001502754159 1342229314 /nfs/dbraw/zinc/22/93/14/1342229314.db2.gz MCCPZCKJPHKJSB-STQMWFEESA-N 1 3 336.307 2.474 10 0 EEAEHO CCC(C)(C)N1CCN(C(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC001565020072 1342552113 /nfs/dbraw/zinc/55/21/13/1342552113.db2.gz DPSFVGLVVSVMSU-UHFFFAOYSA-N 1 3 326.529 2.480 10 0 EEAEHO CCC(C)(C)N1CCN(C(=O)NCCC[N@@H+](C)CC(C)C)CC1 ZINC001565020072 1342552116 /nfs/dbraw/zinc/55/21/16/1342552116.db2.gz DPSFVGLVVSVMSU-UHFFFAOYSA-N 1 3 326.529 2.480 10 0 EEAEHO CN(C)C1(C(=O)N2CCO[C@H](C[NH2+]CCCC(C)(C)C)C2)CCC1 ZINC001649454985 1353514424 /nfs/dbraw/zinc/51/44/24/1353514424.db2.gz BKCYLKQFHXRSRH-MRXNPFEDSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ncccc1CN(C)CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001660369196 1354451116 /nfs/dbraw/zinc/45/11/16/1354451116.db2.gz RKCFRJCUZOYDJZ-PKOBYXMFSA-N 1 3 346.519 2.449 10 0 EEAEHO CCOCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCCN1CC ZINC001661972043 1354730656 /nfs/dbraw/zinc/73/06/56/1354730656.db2.gz MPPXXQKVTMQWAA-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO Cc1ccc(CNCCN(C)C(=O)CCC[NH+]2CCCC2)c(C)n1 ZINC001664391941 1355152923 /nfs/dbraw/zinc/15/29/23/1355152923.db2.gz UVGPQPHNRFFIII-UHFFFAOYSA-N 1 3 332.492 2.122 10 0 EEAEHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cccc(Cl)n1)N(C)C ZINC001666651041 1355559028 /nfs/dbraw/zinc/55/90/28/1355559028.db2.gz ANXWZNHHDPWPNX-CJNGLKHVSA-N 1 3 340.899 2.163 10 0 EEAEHO O=C(NC/C=C\CNCc1ccc(F)c(F)c1)[C@H]1C[NH+]2CCC1CC2 ZINC001668828222 1356014752 /nfs/dbraw/zinc/01/47/52/1356014752.db2.gz OGTGIQCIHJFAOS-AIMAZDRCSA-N 1 3 349.425 2.069 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC/C=C\CNCc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC001668834151 1356016904 /nfs/dbraw/zinc/01/69/04/1356016904.db2.gz RVZMLLFJFRIVEX-SQLJOLKNSA-N 1 3 337.414 2.067 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC/C=C\CNCc2ccc(F)c(F)c2)CC[N@H+]1C ZINC001668834151 1356016914 /nfs/dbraw/zinc/01/69/14/1356016914.db2.gz RVZMLLFJFRIVEX-SQLJOLKNSA-N 1 3 337.414 2.067 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCOc1ccccc1 ZINC001669411668 1356156389 /nfs/dbraw/zinc/15/63/89/1356156389.db2.gz RXPICEZBFUGORU-IEBWSBKVSA-N 1 3 347.503 2.423 10 0 EEAEHO CC(C)[NH+]1CCC(C(=O)N[C@@H](CNCCF)C2CCCC2)CC1 ZINC001671559195 1356362751 /nfs/dbraw/zinc/36/27/51/1356362751.db2.gz PKUDAYDEVLACQW-KRWDZBQOSA-N 1 3 327.488 2.341 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)o1 ZINC001672816879 1356591654 /nfs/dbraw/zinc/59/16/54/1356591654.db2.gz YLRPVKDLVHVIHK-DLBZAZTESA-N 1 3 348.491 2.104 10 0 EEAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCOC2CCC2)CCC1 ZINC001673238235 1356656390 /nfs/dbraw/zinc/65/63/90/1356656390.db2.gz NYVWBHRBBHOHNK-HOTGVXAUSA-N 1 3 337.508 2.057 10 0 EEAEHO COCCCCC[N@@H+]1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001673396766 1356684386 /nfs/dbraw/zinc/68/43/86/1356684386.db2.gz KKWHQVYGNNKFBJ-QZTJIDSGSA-N 1 3 339.524 2.116 10 0 EEAEHO COCCCCC[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001673396766 1356684392 /nfs/dbraw/zinc/68/43/92/1356684392.db2.gz KKWHQVYGNNKFBJ-QZTJIDSGSA-N 1 3 339.524 2.116 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1cnc(Cl)s1)NC(=O)C1(N(C)C)CCC1 ZINC001699106548 1405260532 /nfs/dbraw/zinc/26/05/32/1405260532.db2.gz NBXWPRKJHHBHRV-NSHDSACASA-N 1 3 344.912 2.265 10 0 EEAEHO C[C@H](NCCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1cc(F)ccc1F ZINC001699550161 1405385064 /nfs/dbraw/zinc/38/50/64/1405385064.db2.gz FDVVARREXVQUCP-KBPBESRZSA-N 1 3 339.430 2.416 10 0 EEAEHO C[C@H](NCCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)c1cc(F)ccc1F ZINC001699550161 1405385073 /nfs/dbraw/zinc/38/50/73/1405385073.db2.gz FDVVARREXVQUCP-KBPBESRZSA-N 1 3 339.430 2.416 10 0 EEAEHO c1cc(CN2CCC(OC[C@@H]3CCCO3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000824645950 788253705 /nfs/dbraw/zinc/25/37/05/788253705.db2.gz UBNAVELAEXJAEC-IBGZPJMESA-N 1 3 342.443 2.427 10 0 EEAEHO COc1ccc([C@H](NC(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)C(C)C)cc1 ZINC000923501615 789686083 /nfs/dbraw/zinc/68/60/83/789686083.db2.gz UJACSKCVNSNZCA-XAUMDUMWSA-N 1 3 347.503 2.425 10 0 EEAEHO CC[C@](O)(CN1CCC(OCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC000929764020 794410408 /nfs/dbraw/zinc/41/04/08/794410408.db2.gz ZWONVWOYEZWZFI-HNNXBMFYSA-N 1 3 338.414 2.267 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000925346124 795367788 /nfs/dbraw/zinc/36/77/88/795367788.db2.gz ZCIWSNOLFRAVBW-DAXOMENPSA-N 1 3 338.883 2.335 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000925346124 795367796 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CC(C)N1CCC([NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC000658343963 471291272 /nfs/dbraw/zinc/29/12/72/471291272.db2.gz MXDJSTRGQZLMQN-NRFANRHFSA-N 1 3 344.547 2.265 10 0 EEAEHO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659033202 471477057 /nfs/dbraw/zinc/47/70/57/471477057.db2.gz IOTFCEZPXUQFGE-PBHICJAKSA-N 1 3 334.464 2.199 10 0 EEAEHO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659033202 471477061 /nfs/dbraw/zinc/47/70/61/471477061.db2.gz IOTFCEZPXUQFGE-PBHICJAKSA-N 1 3 334.464 2.199 10 0 EEAEHO CO[C@](C)(CO)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000655799375 471486043 /nfs/dbraw/zinc/48/60/43/471486043.db2.gz OIBHUVAWNRPVQR-WTGUMLROSA-N 1 3 332.488 2.417 10 0 EEAEHO CO[C@](C)(CO)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000655799375 471486048 /nfs/dbraw/zinc/48/60/48/471486048.db2.gz OIBHUVAWNRPVQR-WTGUMLROSA-N 1 3 332.488 2.417 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CN2CCC(C)CC2)[C@@H](C)C1 ZINC000666755645 471523933 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EEAEHO CC[C@H](C)N[C@H](CNC(=O)N(CC)[C@@H]1CC[N@H+](C)C1)c1ccco1 ZINC000664875125 471886962 /nfs/dbraw/zinc/88/69/62/471886962.db2.gz WAVBQBNDNKMCMG-ARFHVFGLSA-N 1 3 336.480 2.444 10 0 EEAEHO CC[C@H](C)N[C@H](CNC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1)c1ccco1 ZINC000664875125 471886966 /nfs/dbraw/zinc/88/69/66/471886966.db2.gz WAVBQBNDNKMCMG-ARFHVFGLSA-N 1 3 336.480 2.444 10 0 EEAEHO OC1CCN(Cc2ccccc2C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667888935 471939575 /nfs/dbraw/zinc/93/95/75/471939575.db2.gz LJDQYROBKOTJQX-UYAOXDASSA-N 1 3 330.472 2.300 10 0 EEAEHO [NH3+]Cc1cccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)c1 ZINC000662393813 472095970 /nfs/dbraw/zinc/09/59/70/472095970.db2.gz XNGLDRCQXRXALN-OLZOCXBDSA-N 1 3 332.322 2.068 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C)C2(CCC2)C1 ZINC000665760951 472175310 /nfs/dbraw/zinc/17/53/10/472175310.db2.gz SXNOQJYROBIAIX-SJORKVTESA-N 1 3 338.540 2.480 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C)C2(CCC2)C1 ZINC000665760951 472175315 /nfs/dbraw/zinc/17/53/15/472175315.db2.gz SXNOQJYROBIAIX-SJORKVTESA-N 1 3 338.540 2.480 10 0 EEAEHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc(C(C)(C)N)no1 ZINC000662777500 472247720 /nfs/dbraw/zinc/24/77/20/472247720.db2.gz GAYIITHBTFXFQF-UHFFFAOYSA-N 1 3 348.422 2.212 10 0 EEAEHO NC[C@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000662971031 472312531 /nfs/dbraw/zinc/31/25/31/472312531.db2.gz AWUCFNNHHOVXGX-SFHVURJKSA-N 1 3 333.451 2.106 10 0 EEAEHO CN(C)[C@@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000673770522 485525897 /nfs/dbraw/zinc/52/58/97/485525897.db2.gz CEFUIPQUFPHRJF-HOTGVXAUSA-N 1 3 338.883 2.336 10 0 EEAEHO CN(C)[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000673770522 485525902 /nfs/dbraw/zinc/52/59/02/485525902.db2.gz CEFUIPQUFPHRJF-HOTGVXAUSA-N 1 3 338.883 2.336 10 0 EEAEHO Fc1ccc(CN2CCCC2)cc1-c1cnc(N2CC[NH2+]CC2)nc1 ZINC000630050074 485748843 /nfs/dbraw/zinc/74/88/43/485748843.db2.gz BJBHIRZEJJXYJS-UHFFFAOYSA-N 1 3 341.434 2.288 10 0 EEAEHO CO[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000684378067 485864211 /nfs/dbraw/zinc/86/42/11/485864211.db2.gz WWUINXWJTJUJRP-ZWKOTPCHSA-N 1 3 333.476 2.025 10 0 EEAEHO CCN1CC[C@@H]([N@H+](C)Cc2cccc(NS(C)(=O)=O)c2)[C@H](C)C1 ZINC000678278023 486608126 /nfs/dbraw/zinc/60/81/26/486608126.db2.gz SFLQCTWQAMGQKD-RHSMWYFYSA-N 1 3 339.505 2.220 10 0 EEAEHO CCN1CC[C@@H]([N@@H+](C)Cc2cccc(NS(C)(=O)=O)c2)[C@H](C)C1 ZINC000678278023 486608128 /nfs/dbraw/zinc/60/81/28/486608128.db2.gz SFLQCTWQAMGQKD-RHSMWYFYSA-N 1 3 339.505 2.220 10 0 EEAEHO C[C@@H]1C[NH+](Cc2ccc(-c3nc(C4(N)CC4)no3)cc2)C[C@@H](C)O1 ZINC000905318998 694600738 /nfs/dbraw/zinc/60/07/38/694600738.db2.gz KNYQLIIKRNFZSC-CHWSQXEVSA-N 1 3 328.416 2.294 10 0 EEAEHO Cc1ncc(CNCCC[C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001485728308 1191919818 /nfs/dbraw/zinc/91/98/18/1191919818.db2.gz XOKFATWJNXRXJC-HNNXBMFYSA-N 1 3 348.491 2.234 10 0 EEAEHO Cc1ccc(CN(C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)c(C)c1 ZINC001480866322 1176142732 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EEAEHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@H+]1Cc1ccns1)N(C)C ZINC001267173617 1178406351 /nfs/dbraw/zinc/40/63/51/1178406351.db2.gz BDMADPDSAUWLAY-HOCLYGCPSA-N 1 3 338.521 2.344 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C[C@@H]1CCOC1)C(C)C ZINC001267340559 1178788068 /nfs/dbraw/zinc/78/80/68/1178788068.db2.gz MHCICGCUHUJYOI-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C[C@@H]1CCOC1)C(C)C ZINC001267340559 1178788071 /nfs/dbraw/zinc/78/80/71/1178788071.db2.gz MHCICGCUHUJYOI-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CCOCCN1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001481072026 1179675509 /nfs/dbraw/zinc/67/55/09/1179675509.db2.gz VFDWQWRXBNMXIR-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ccc(CNCCN(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)c(C)n1 ZINC001481252390 1180473866 /nfs/dbraw/zinc/47/38/66/1180473866.db2.gz SQMFJINXXYOHJZ-LJQANCHMSA-N 1 3 346.519 2.367 10 0 EEAEHO Cc1ccc(CNCCN(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)c(C)n1 ZINC001481252390 1180473868 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CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccc(Cl)nc1 ZINC001481813020 1182728017 /nfs/dbraw/zinc/72/80/17/1182728017.db2.gz BXHURZBOAPGXKY-BPLDGKMQSA-N 1 3 338.883 2.060 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccc(Cl)nc1 ZINC001481813020 1182728024 /nfs/dbraw/zinc/72/80/24/1182728024.db2.gz BXHURZBOAPGXKY-BPLDGKMQSA-N 1 3 338.883 2.060 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCc1ccccc1 ZINC001482101373 1183334219 /nfs/dbraw/zinc/33/42/19/1183334219.db2.gz MJDMRPQFZCXCOU-PKOBYXMFSA-N 1 3 331.504 2.444 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)CNCc2cc(C3CC3)no2)CC[N@@H+]1C ZINC001482102262 1183335716 /nfs/dbraw/zinc/33/57/16/1183335716.db2.gz JHQZJKLAHSPFLS-QANKJYHBSA-N 1 3 348.491 2.124 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)CNCc2cc(C3CC3)no2)CC[N@H+]1C ZINC001482102262 1183335720 /nfs/dbraw/zinc/33/57/20/1183335720.db2.gz JHQZJKLAHSPFLS-QANKJYHBSA-N 1 3 348.491 2.124 10 0 EEAEHO Cc1csc(CNC[C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)n1 ZINC001482131046 1183378322 /nfs/dbraw/zinc/37/83/22/1183378322.db2.gz SPYFNLIFQCYPFK-ZDUSSCGKSA-N 1 3 338.521 2.168 10 0 EEAEHO C[C@H](CNC/C(Cl)=C\Cl)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482136053 1183442141 /nfs/dbraw/zinc/44/21/41/1183442141.db2.gz OECHAUFXUGCPEC-VOFQPLEQSA-N 1 3 336.307 2.378 10 0 EEAEHO C[C@H](CNC/C(Cl)=C\Cl)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482136053 1183442146 /nfs/dbraw/zinc/44/21/46/1183442146.db2.gz OECHAUFXUGCPEC-VOFQPLEQSA-N 1 3 336.307 2.378 10 0 EEAEHO C[C@@H](C[NH2+]CCc1c(F)cccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001268691377 1183615601 /nfs/dbraw/zinc/61/56/01/1183615601.db2.gz WIVOLXUKZROGGV-ZDUSSCGKSA-N 1 3 339.430 2.086 10 0 EEAEHO CN(CCC[NH2+]C/C=C/Cl)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268847237 1183763482 /nfs/dbraw/zinc/76/34/82/1183763482.db2.gz GACKKKXYHQFSAL-CDVVCGDMSA-N 1 3 333.879 2.390 10 0 EEAEHO CCOCCCN1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269297285 1184148575 /nfs/dbraw/zinc/14/85/75/1184148575.db2.gz XBXMWKCJUIBLHM-QZTJIDSGSA-N 1 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1189645353 /nfs/dbraw/zinc/64/53/53/1189645353.db2.gz PRDXYCHNNYIJNM-VXGBXAGGSA-N 1 3 329.847 2.414 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCc1c(F)cccc1F ZINC001409474563 1189792043 /nfs/dbraw/zinc/79/20/43/1189792043.db2.gz PSGWMRPNBHOEDX-KBPBESRZSA-N 1 3 341.446 2.330 10 0 EEAEHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1cccc(OC)c1C)N(C)C ZINC001409577141 1190061377 /nfs/dbraw/zinc/06/13/77/1190061377.db2.gz NLWBAOWNCRYDSN-RHSMWYFYSA-N 1 3 335.492 2.280 10 0 EEAEHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1C)N(C)C ZINC001409577141 1190061387 /nfs/dbraw/zinc/06/13/87/1190061387.db2.gz NLWBAOWNCRYDSN-RHSMWYFYSA-N 1 3 335.492 2.280 10 0 EEAEHO C[C@H]1[C@H]([NH2+]CCCOc2ccccc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001486088368 1193678055 /nfs/dbraw/zinc/67/80/55/1193678055.db2.gz HFZRDTZWEHRJJM-MAUKXSAKSA-N 1 3 342.443 2.000 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001483492896 1190510034 /nfs/dbraw/zinc/51/00/34/1190510034.db2.gz MJHNHOTYLYBQPX-AWEZNQCLSA-N 1 3 339.430 2.245 10 0 EEAEHO CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC2CCOCC2)C1)N(CC)CC ZINC001484058117 1191180595 /nfs/dbraw/zinc/18/05/95/1191180595.db2.gz PKGQGKSQXPLECV-MJGOQNOKSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CC2CCOCC2)C1)N(CC)CC ZINC001484058117 1191180598 /nfs/dbraw/zinc/18/05/98/1191180598.db2.gz PKGQGKSQXPLECV-MJGOQNOKSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(C)n1 ZINC001484513254 1191390694 /nfs/dbraw/zinc/39/06/94/1191390694.db2.gz OHYBYFAEBBUEDD-PKOBYXMFSA-N 1 3 344.503 2.121 10 0 EEAEHO Cc1ncccc1C[N@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001484728451 1191487296 /nfs/dbraw/zinc/48/72/96/1191487296.db2.gz PFEBSPRMKAIJTI-GOSISDBHSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1ncccc1C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001484728451 1191487297 /nfs/dbraw/zinc/48/72/97/1191487297.db2.gz PFEBSPRMKAIJTI-GOSISDBHSA-N 1 3 332.492 2.201 10 0 EEAEHO CC(C)OCCN(C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485067470 1191635724 /nfs/dbraw/zinc/63/57/24/1191635724.db2.gz OMNHPRGFGSFELI-OKZBNKHCSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)OCCN(C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001485067470 1191635725 /nfs/dbraw/zinc/63/57/25/1191635725.db2.gz OMNHPRGFGSFELI-OKZBNKHCSA-N 1 3 339.524 2.065 10 0 EEAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001485157859 1191673349 /nfs/dbraw/zinc/67/33/49/1191673349.db2.gz VOXHYSRNSSNDOT-STQMWFEESA-N 1 3 339.430 2.432 10 0 EEAEHO C[C@@H](NCc1cncc(F)c1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001485161270 1191674571 /nfs/dbraw/zinc/67/45/71/1191674571.db2.gz BIZUOXRVQSWTAJ-CABCVRRESA-N 1 3 348.466 2.080 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)cc2)C(C)(C)C1 ZINC001486246093 1193772447 /nfs/dbraw/zinc/77/24/47/1193772447.db2.gz DBPVFGCEWWKLAZ-SFHVURJKSA-N 1 3 347.503 2.364 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1=CC[N@H+](CC[C@@H]2CCCCO2)CC1 ZINC001486521667 1194044539 /nfs/dbraw/zinc/04/45/39/1194044539.db2.gz IRPIPDLLHVMHNP-SFHVURJKSA-N 1 3 337.508 2.034 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1=CC[N@@H+](CC[C@@H]2CCCCO2)CC1 ZINC001486521667 1194044544 /nfs/dbraw/zinc/04/45/44/1194044544.db2.gz IRPIPDLLHVMHNP-SFHVURJKSA-N 1 3 337.508 2.034 10 0 EEAEHO Cc1nc(CNCC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c(C)s1 ZINC001273123245 1194406717 /nfs/dbraw/zinc/40/67/17/1194406717.db2.gz PPQWBXZBWJIKGN-DOMZBBRYSA-N 1 3 338.521 2.086 10 0 EEAEHO Cc1nc(CNCC[C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001273123245 1194406721 /nfs/dbraw/zinc/40/67/21/1194406721.db2.gz PPQWBXZBWJIKGN-DOMZBBRYSA-N 1 3 338.521 2.086 10 0 EEAEHO COc1ccc(CN2C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)cc1C ZINC001410018509 1197321657 /nfs/dbraw/zinc/32/16/57/1197321657.db2.gz HUQMUHDSSLCMHU-SFHVURJKSA-N 1 3 347.503 2.282 10 0 EEAEHO COc1ccc(CN2C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)cc1C ZINC001410018498 1197321692 /nfs/dbraw/zinc/32/16/92/1197321692.db2.gz HUQMUHDSSLCMHU-GOSISDBHSA-N 1 3 347.503 2.282 10 0 EEAEHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H](CNCc2ccncc2Cl)C1 ZINC001410221028 1197613171 /nfs/dbraw/zinc/61/31/71/1197613171.db2.gz RIQOXHOKCOHMFD-CTYIDZIISA-N 1 3 338.883 2.061 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N(C)[C@@H](CNCc2ccccn2)C2CC2)CC[N@@H+]1C ZINC001410307320 1197669875 /nfs/dbraw/zinc/66/98/75/1197669875.db2.gz FJIQEEPKVQAXSA-IEZWGBDMSA-N 1 3 344.503 2.139 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N(C)[C@@H](CNCc2ccccn2)C2CC2)CC[N@H+]1C ZINC001410307320 1197669880 /nfs/dbraw/zinc/66/98/80/1197669880.db2.gz FJIQEEPKVQAXSA-IEZWGBDMSA-N 1 3 344.503 2.139 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)[C@H](C[NH2+]CC2CC(F)(F)C2)C2CC2)C1 ZINC001410310190 1197672677 /nfs/dbraw/zinc/67/26/77/1197672677.db2.gz KYWJVSDXCBMMSR-XJKSGUPXSA-N 1 3 343.462 2.200 10 0 EEAEHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000811459795 1200071133 /nfs/dbraw/zinc/07/11/33/1200071133.db2.gz OHPMYQUDVYGPOY-YJBOKZPZSA-N 1 3 325.472 2.332 10 0 EEAEHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000811459795 1200071139 /nfs/dbraw/zinc/07/11/39/1200071139.db2.gz OHPMYQUDVYGPOY-YJBOKZPZSA-N 1 3 325.472 2.332 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc(Cl)n1 ZINC000868036268 1201731495 /nfs/dbraw/zinc/73/14/95/1201731495.db2.gz WHEMCOITLVNQET-YUELXQCFSA-N 1 3 336.867 2.034 10 0 EEAEHO CN(C)C1(C(=O)NC/C=C\C[NH2+][C@H]2CCc3ccccc32)CCC1 ZINC001274088137 1204364006 /nfs/dbraw/zinc/36/40/06/1204364006.db2.gz GEPZXXNYKPCZGD-XFHJGTJQSA-N 1 3 327.472 2.420 10 0 EEAEHO Cc1ccc(CNC/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C)c(C)n1 ZINC001274105857 1204373331 /nfs/dbraw/zinc/37/33/31/1204373331.db2.gz PZMJEEBZPIPELJ-ZEVQVBBLSA-N 1 3 332.492 2.047 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]CCCc3ccccc3)C2)C1 ZINC001275284581 1205298703 /nfs/dbraw/zinc/29/87/03/1205298703.db2.gz MIWMOWMEXCSJDX-KKXNLOMOSA-N 1 3 343.515 2.445 10 0 EEAEHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CCC(F)(F)F)N(C)C ZINC001275717648 1205496964 /nfs/dbraw/zinc/49/69/64/1205496964.db2.gz KPDCUEWCDAKZSH-LBPRGKRZSA-N 1 3 325.419 2.353 10 0 EEAEHO CN(CCC[NH2+]CC1CCC(F)(F)CC1)C(=O)[C@H]1CCCN1C ZINC001276175036 1205815283 /nfs/dbraw/zinc/81/52/83/1205815283.db2.gz YWRPCEQHLURKHI-OAHLLOKOSA-N 1 3 331.451 2.344 10 0 EEAEHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000926632951 1206233158 /nfs/dbraw/zinc/23/31/58/1206233158.db2.gz IGHOBEJYLWAOGI-XYPWUTKMSA-N 1 3 338.492 2.055 10 0 EEAEHO CN(C[C@@H](O)CCC1(O)CCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000929755652 1206498144 /nfs/dbraw/zinc/49/81/44/1206498144.db2.gz VVNIABODARVKMQ-PMACEKPBSA-N 1 3 346.515 2.496 10 0 EEAEHO CN(C[C@@H](O)CCC1(O)CCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000929755652 1206498145 /nfs/dbraw/zinc/49/81/45/1206498145.db2.gz VVNIABODARVKMQ-PMACEKPBSA-N 1 3 346.515 2.496 10 0 EEAEHO C[NH+](C)CC1(O)CCN(CCC2(C(=O)OC(C)(C)C)CCC2)CC1 ZINC000931479186 1207392241 /nfs/dbraw/zinc/39/22/41/1207392241.db2.gz MOSLUSJYBUIMJN-UHFFFAOYSA-N 1 3 340.508 2.277 10 0 EEAEHO CCOc1ccc(CN(C)C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903873391 1242261420 /nfs/dbraw/zinc/26/14/20/1242261420.db2.gz PVRQZUZRHQRQQK-KRWDZBQOSA-N 1 3 330.476 2.377 10 0 EEAEHO Clc1ccc(CCNCc2cnnn2[C@H]2CCC[NH2+]C2)s1 ZINC000903923615 1242516926 /nfs/dbraw/zinc/51/69/26/1242516926.db2.gz YLMPHHSDFFQYMU-NSHDSACASA-N 1 3 325.869 2.250 10 0 EEAEHO COc1ccc(C)cc1CN1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001491120505 1258702229 /nfs/dbraw/zinc/70/22/29/1258702229.db2.gz QHVKNUGBTRYMKW-QGZVFWFLSA-N 1 3 347.503 2.284 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C/C=C\c3ccccc3)C[C@H]21 ZINC001491338102 1258966390 /nfs/dbraw/zinc/96/63/90/1258966390.db2.gz DKSBNVHBVOZWKE-YIEUDYMUSA-N 1 3 327.472 2.086 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@H]21 ZINC001491338102 1258966394 /nfs/dbraw/zinc/96/63/94/1258966394.db2.gz DKSBNVHBVOZWKE-YIEUDYMUSA-N 1 3 327.472 2.086 10 0 EEAEHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001491478589 1259129470 /nfs/dbraw/zinc/12/94/70/1259129470.db2.gz QWGGATHDSXYQOS-ZIAGYGMSSA-N 1 3 331.451 2.391 10 0 EEAEHO CCN(CCNCc1cccnc1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001273644691 1282118011 /nfs/dbraw/zinc/11/80/11/1282118011.db2.gz CZODXBQJUCJFTO-QGZVFWFLSA-N 1 3 332.492 2.284 10 0 EEAEHO CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001277693593 1304197781 /nfs/dbraw/zinc/19/77/81/1304197781.db2.gz LYNZTLQAHMDGRT-QAPCUYQASA-N 1 3 327.488 2.436 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cncc(F)c1 ZINC001276404724 1315637554 /nfs/dbraw/zinc/63/75/54/1315637554.db2.gz KJYXQUCXLGXPGD-KRWDZBQOSA-N 1 3 336.455 2.033 10 0 EEAEHO CC(C)=CCN1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001278526321 1317142872 /nfs/dbraw/zinc/14/28/72/1317142872.db2.gz ICIGXDQLNAFHQW-WMZOPIPTSA-N 1 3 337.508 2.033 10 0 EEAEHO CC(C)OCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001265734003 1323355342 /nfs/dbraw/zinc/35/53/42/1323355342.db2.gz KPDNXXDRJCJADR-ABHNRTSZSA-N 1 3 339.524 2.301 10 0 EEAEHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1ccc(Cl)nc1 ZINC001265813084 1323394087 /nfs/dbraw/zinc/39/40/87/1323394087.db2.gz KNLYJONUJWTELK-IPYPFGDCSA-N 1 3 338.883 2.060 10 0 EEAEHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1ccc(Cl)nc1 ZINC001265813084 1323394094 /nfs/dbraw/zinc/39/40/94/1323394094.db2.gz KNLYJONUJWTELK-IPYPFGDCSA-N 1 3 338.883 2.060 10 0 EEAEHO C[N@@H+]1CC[C@@H](C(=O)NCCCCCC2CCN(CCF)CC2)C1 ZINC001281062839 1324750371 /nfs/dbraw/zinc/75/03/71/1324750371.db2.gz KGNNMPJPOIKPRK-QGZVFWFLSA-N 1 3 327.488 2.296 10 0 EEAEHO C[N@H+]1CC[C@@H](C(=O)NCCCCCC2CCN(CCF)CC2)C1 ZINC001281062839 1324750378 /nfs/dbraw/zinc/75/03/78/1324750378.db2.gz KGNNMPJPOIKPRK-QGZVFWFLSA-N 1 3 327.488 2.296 10 0 EEAEHO C[C@@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001283042948 1325897106 /nfs/dbraw/zinc/89/71/06/1325897106.db2.gz ABHQKCFZMZTWNS-BZUAXINKSA-N 1 3 327.488 2.483 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCOc2cccc(C)c2)[C@H]1C ZINC001283924890 1326321994 /nfs/dbraw/zinc/32/19/94/1326321994.db2.gz BFAHAYPLXCMTQO-IEBWSBKVSA-N 1 3 347.503 2.295 10 0 EEAEHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001567516275 1342776353 /nfs/dbraw/zinc/77/63/53/1342776353.db2.gz NXMIEPQTHWRIKA-OAHLLOKOSA-N 1 3 329.847 2.367 10 0 EEAEHO Cc1cc(CN[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)sn1 ZINC001491685209 1330205249 /nfs/dbraw/zinc/20/52/49/1330205249.db2.gz YFKVLHJBQOBUSM-HOCLYGCPSA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1cccc([C@H](C)N(C)CCNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001492256987 1331118092 /nfs/dbraw/zinc/11/80/92/1331118092.db2.gz JGHZOQCODHQCQY-LPHOPBHVSA-N 1 3 329.488 2.446 10 0 EEAEHO CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C(F)(F)F ZINC001316728267 1331864496 /nfs/dbraw/zinc/86/44/96/1331864496.db2.gz VVYSRCOFFPVTQK-ZIAGYGMSSA-N 1 3 337.430 2.355 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCCc3ccccc3)C2)CCC1 ZINC001317113400 1332084804 /nfs/dbraw/zinc/08/48/04/1332084804.db2.gz NRVRSUKNVMQASR-HDICACEKSA-N 1 3 329.488 2.340 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]CCOc1ccccc1 ZINC001317199687 1332128093 /nfs/dbraw/zinc/12/80/93/1332128093.db2.gz MRMWLQUZKMDEPW-SFHVURJKSA-N 1 3 347.503 2.376 10 0 EEAEHO O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCN(CC2CC(F)(F)C2)C1 ZINC001318376185 1332518632 /nfs/dbraw/zinc/51/86/32/1332518632.db2.gz CPYHEZFLIYWROP-MRXNPFEDSA-N 1 3 343.462 2.488 10 0 EEAEHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001318531487 1332556803 /nfs/dbraw/zinc/55/68/03/1332556803.db2.gz UFMAXYHNCFJMDA-AWEZNQCLSA-N 1 3 338.883 2.204 10 0 EEAEHO CCOCC[NH2+][C@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001318977036 1332631794 /nfs/dbraw/zinc/63/17/94/1332631794.db2.gz UIQBXLYFPRASGX-WKILWMFISA-N 1 3 327.513 2.018 10 0 EEAEHO C[C@@H](CNCc1ccc(Cl)nc1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319460501 1332705176 /nfs/dbraw/zinc/70/51/76/1332705176.db2.gz NOIOBTPOVLZJLZ-GZBFAFLISA-N 1 3 338.883 2.012 10 0 EEAEHO C[C@@H](CNCc1ccc(Cl)nc1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319460501 1332705179 /nfs/dbraw/zinc/70/51/79/1332705179.db2.gz NOIOBTPOVLZJLZ-GZBFAFLISA-N 1 3 338.883 2.012 10 0 EEAEHO Cc1ccc(C)c(C[NH2+]C/C=C\CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001321250002 1333055313 /nfs/dbraw/zinc/05/53/13/1333055313.db2.gz NCSGMUIKWTXYNB-VGOKWCNXSA-N 1 3 329.488 2.407 10 0 EEAEHO COCCCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H](C)C1 ZINC001324092121 1333607483 /nfs/dbraw/zinc/60/74/83/1333607483.db2.gz YNPCMXLMQRRZRL-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO COc1ccc([C@H](NC(C)C)C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc1 ZINC001413869214 1338572253 /nfs/dbraw/zinc/57/22/53/1338572253.db2.gz MDJADOKSFPCZQD-OWYHZJEWSA-N 1 3 345.487 2.191 10 0 EEAEHO COc1ccc([C@H](NC(C)C)C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc1 ZINC001413869214 1338572258 /nfs/dbraw/zinc/57/22/58/1338572258.db2.gz MDJADOKSFPCZQD-OWYHZJEWSA-N 1 3 345.487 2.191 10 0 EEAEHO C[NH+](C)CCCC(=O)N1CCC[C@@]2(CCN(C/C=C/Cl)C2)C1 ZINC001502546003 1342208879 /nfs/dbraw/zinc/20/88/79/1342208879.db2.gz MCSNAABFMDFNJA-MPNRVQBSSA-N 1 3 327.900 2.395 10 0 EEAEHO C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCC=C(Cl)Cl ZINC001502754158 1342229441 /nfs/dbraw/zinc/22/94/41/1342229441.db2.gz MCCPZCKJPHKJSB-QWHCGFSZSA-N 1 3 336.307 2.474 10 0 EEAEHO CC[C@H](F)CN1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001566053320 1342535883 /nfs/dbraw/zinc/53/58/83/1342535883.db2.gz YXJHSRDAFPVKKA-IKGGRYGDSA-N 1 3 327.488 2.247 10 0 EEAEHO Cc1cncc(CN(CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)c1 ZINC001566601170 1342574216 /nfs/dbraw/zinc/57/42/16/1342574216.db2.gz ZKHHSNLOYKJWBE-QGZVFWFLSA-N 1 3 344.503 2.203 10 0 EEAEHO Cc1cncc(CN(CCCNC(=O)C[C@H]2CC[N@H+](C)C2)C2CC2)c1 ZINC001566601170 1342574222 /nfs/dbraw/zinc/57/42/22/1342574222.db2.gz ZKHHSNLOYKJWBE-QGZVFWFLSA-N 1 3 344.503 2.203 10 0 EEAEHO CC(C)OCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001567166326 1342703063 /nfs/dbraw/zinc/70/30/63/1342703063.db2.gz BQVBOZSKXQXRTQ-DLBZAZTESA-N 1 3 339.524 2.303 10 0 EEAEHO CN(C)C1(C(=O)N(C)CC[NH2+]C[C@H]2CCCC(F)(F)C2)CCC1 ZINC001567507965 1342775303 /nfs/dbraw/zinc/77/53/03/1342775303.db2.gz NSEMYEHUAXOPKY-AWEZNQCLSA-N 1 3 331.451 2.344 10 0 EEAEHO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001570019921 1343001386 /nfs/dbraw/zinc/00/13/86/1343001386.db2.gz XZFFWFYJFFHUMT-SFHVURJKSA-N 1 3 345.487 2.119 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2cccc(Cl)n2)[C@H]1C ZINC001676679570 1357179551 /nfs/dbraw/zinc/17/95/51/1357179551.db2.gz AQKBADMOWPJURQ-HIFRSBDPSA-N 1 3 338.883 2.156 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2cccc(Cl)n2)[C@H]1C ZINC001676679570 1357179548 /nfs/dbraw/zinc/17/95/48/1357179548.db2.gz AQKBADMOWPJURQ-HIFRSBDPSA-N 1 3 338.883 2.156 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CCc3ccccc3)C2)C1 ZINC001661817980 1354702172 /nfs/dbraw/zinc/70/21/72/1354702172.db2.gz GFYOSPLOUXOXPZ-ICSRJNTNSA-N 1 3 343.515 2.399 10 0 EEAEHO CC(C)COCC[NH2+][C@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001662766318 1354841100 /nfs/dbraw/zinc/84/11/00/1354841100.db2.gz ICXOCZXUFJOSFV-DLBZAZTESA-N 1 3 339.524 2.160 10 0 EEAEHO COCCC[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001662778111 1354844662 /nfs/dbraw/zinc/84/46/62/1354844662.db2.gz CJJCQIJYIFXQRA-HOTGVXAUSA-N 1 3 327.513 2.018 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCc1ccc(CC[NH2+]CCF)cc1 ZINC001662818750 1354853884 /nfs/dbraw/zinc/85/38/84/1354853884.db2.gz PAGLSULWJSIWDB-SFHVURJKSA-N 1 3 335.467 2.279 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)CC[NH2+]CCc1c(F)cccc1F)N(C)C ZINC001664169865 1355106295 /nfs/dbraw/zinc/10/62/95/1355106295.db2.gz RRCQLMZDODJPSZ-QGZVFWFLSA-N 1 3 341.446 2.142 10 0 EEAEHO C[C@H](C[NH2+]CCCc1ccccc1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001666991958 1355628311 /nfs/dbraw/zinc/62/83/11/1355628311.db2.gz JBCXKDMRDQHPDH-ZWKOTPCHSA-N 1 3 331.504 2.398 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N[C@@H](CNCCF)C2CCCCC2)CC[N@@H+]1C ZINC001667140779 1355656860 /nfs/dbraw/zinc/65/68/60/1355656860.db2.gz YYLQRDULTAYVKY-XIRDDKMYSA-N 1 3 327.488 2.341 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N[C@@H](CNCCF)C2CCCCC2)CC[N@H+]1C ZINC001667140779 1355656864 /nfs/dbraw/zinc/65/68/64/1355656864.db2.gz YYLQRDULTAYVKY-XIRDDKMYSA-N 1 3 327.488 2.341 10 0 EEAEHO Cc1ccc(CNC/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(C)n1 ZINC001668820362 1356011754 /nfs/dbraw/zinc/01/17/54/1356011754.db2.gz DWNRHSQFRGTHKZ-UEKDZROGSA-N 1 3 344.503 2.333 10 0 EEAEHO Cc1ccc(CNC/C=C/CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(C)n1 ZINC001668820362 1356011760 /nfs/dbraw/zinc/01/17/60/1356011760.db2.gz DWNRHSQFRGTHKZ-UEKDZROGSA-N 1 3 344.503 2.333 10 0 EEAEHO Cc1ccc(CNC/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1F ZINC001669026697 1356070904 /nfs/dbraw/zinc/07/09/04/1356070904.db2.gz FNKZCAKGXCZJLJ-IPLHWJFFSA-N 1 3 335.467 2.482 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCNCc1ncc(C)s1 ZINC001670117636 1356279126 /nfs/dbraw/zinc/27/91/26/1356279126.db2.gz ARBUUCQKVCFQFY-HNNXBMFYSA-N 1 3 338.521 2.264 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCCNCc1ncc(C)s1 ZINC001670117636 1356279130 /nfs/dbraw/zinc/27/91/30/1356279130.db2.gz ARBUUCQKVCFQFY-HNNXBMFYSA-N 1 3 338.521 2.264 10 0 EEAEHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001690846663 1404940394 /nfs/dbraw/zinc/94/03/94/1404940394.db2.gz NKCUWEUHFXICGV-CYBMUJFWSA-N 1 3 338.883 2.204 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]Cc1cncs1 ZINC001698907454 1405149044 /nfs/dbraw/zinc/14/90/44/1405149044.db2.gz JTGFMRLFRPJQGU-HOCLYGCPSA-N 1 3 336.505 2.098 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc(Cl)n1 ZINC000846688651 790407813 /nfs/dbraw/zinc/40/78/13/790407813.db2.gz JAVRUKXYEZICFA-ZQIUZPCESA-N 1 3 336.867 2.021 10 0 EEAEHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(N2CCCCC2=O)cc1 ZINC000817894982 785051594 /nfs/dbraw/zinc/05/15/94/785051594.db2.gz PVWZHTDBHGTQBR-JCGIZDLHSA-N 1 3 331.460 2.045 10 0 EEAEHO C[NH+](C)CCOc1cc(CNC[C@H](O)c2ccccc2Cl)ccn1 ZINC000819195822 785457331 /nfs/dbraw/zinc/45/73/31/785457331.db2.gz KPEXKLOTQBMQRA-KRWDZBQOSA-N 1 3 349.862 2.499 10 0 EEAEHO CSCC1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000923197804 789116120 /nfs/dbraw/zinc/11/61/20/789116120.db2.gz ARVLRWUGJWIZML-HNNXBMFYSA-N 1 3 344.569 2.043 10 0 EEAEHO CSCC1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000923197804 789116125 /nfs/dbraw/zinc/11/61/25/789116125.db2.gz ARVLRWUGJWIZML-HNNXBMFYSA-N 1 3 344.569 2.043 10 0 EEAEHO Cc1cc(C)cc(OCCN(C)C(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923499917 789684247 /nfs/dbraw/zinc/68/42/47/789684247.db2.gz ODTIEVAFOMJIDB-ZWKOTPCHSA-N 1 3 347.503 2.057 10 0 EEAEHO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)CN(C)C(C)C)C2)cc1F ZINC001436401306 1087748068 /nfs/dbraw/zinc/74/80/68/1087748068.db2.gz GHPVFQKATXGRJK-QAQDUYKDSA-N 1 3 335.467 2.459 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([C@H](C)[NH2+]C[C@H]2CCCCO2)CC1 ZINC001437858114 1090438731 /nfs/dbraw/zinc/43/87/31/1090438731.db2.gz RROXGCDVQYEQJN-FUHWJXTLSA-N 1 3 339.524 2.112 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001438246032 1090728029 /nfs/dbraw/zinc/72/80/29/1090728029.db2.gz MDQHUGSNNOAXKW-DLBZAZTESA-N 1 3 339.524 2.066 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001438246032 1090728033 /nfs/dbraw/zinc/72/80/33/1090728033.db2.gz MDQHUGSNNOAXKW-DLBZAZTESA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1cccnc1CNC[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001438710962 1091226022 /nfs/dbraw/zinc/22/60/22/1091226022.db2.gz GFXMGKZKCZBPPO-MJGOQNOKSA-N 1 3 346.519 2.447 10 0 EEAEHO Cc1ccc(CCCN2CC[C@@H]2CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001446132624 1092182369 /nfs/dbraw/zinc/18/23/69/1092182369.db2.gz ZRVWEAWMGVFLMA-WOJBJXKFSA-N 1 3 343.515 2.460 10 0 EEAEHO Cc1ccc(CCCN2CC[C@@H]2CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001446132624 1092182375 /nfs/dbraw/zinc/18/23/75/1092182375.db2.gz ZRVWEAWMGVFLMA-WOJBJXKFSA-N 1 3 343.515 2.460 10 0 EEAEHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]Cc1ccns1 ZINC001439517311 1092363002 /nfs/dbraw/zinc/36/30/02/1092363002.db2.gz RWALEWKMWTZWSP-GDBMZVCRSA-N 1 3 338.521 2.200 10 0 EEAEHO CC[NH+]1CCC(N(Cc2ccccn2)C(=O)CN(C)C(C)C)CC1 ZINC001440128642 1093192263 /nfs/dbraw/zinc/19/22/63/1093192263.db2.gz RMUOMIHOCUMZMT-UHFFFAOYSA-N 1 3 332.492 2.235 10 0 EEAEHO Cc1ncccc1C[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCC1 ZINC001440324103 1093465790 /nfs/dbraw/zinc/46/57/90/1093465790.db2.gz AFLPTXXBEFSKJN-UHFFFAOYSA-N 1 3 344.503 2.393 10 0 EEAEHO CCC1([NH2+]Cc2cncs2)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001440517301 1093766770 /nfs/dbraw/zinc/76/67/70/1093766770.db2.gz BSNAAZGFTJXBGX-HNNXBMFYSA-N 1 3 336.505 2.098 10 0 EEAEHO Cc1nc(C)c(C[NH2+]C2(C)CCN(C(=O)CN(C)C(C)C)CC2)o1 ZINC001440613086 1093879720 /nfs/dbraw/zinc/87/97/20/1093879720.db2.gz KHLSHDBVLIVVKD-UHFFFAOYSA-N 1 3 336.480 2.102 10 0 EEAEHO C[C@@H](NCc1cncs1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001440795126 1094036921 /nfs/dbraw/zinc/03/69/21/1094036921.db2.gz DMWZNBWHMMXJJD-KGLIPLIRSA-N 1 3 336.505 2.002 10 0 EEAEHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001440843678 1094100985 /nfs/dbraw/zinc/10/09/85/1094100985.db2.gz UZTPUKJTHDYSPT-STQMWFEESA-N 1 3 333.467 2.492 10 0 EEAEHO CN(C)C1(C(=O)N(C)C[C@H](O)C[N@H+](C)CCCC(C)(C)C)CCC1 ZINC001449203203 1094162036 /nfs/dbraw/zinc/16/20/36/1094162036.db2.gz XGNDAOOIVLIPDQ-MRXNPFEDSA-N 1 3 341.540 2.048 10 0 EEAEHO CN(C)C1(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCC(C)(C)C)CCC1 ZINC001449203203 1094162040 /nfs/dbraw/zinc/16/20/40/1094162040.db2.gz XGNDAOOIVLIPDQ-MRXNPFEDSA-N 1 3 341.540 2.048 10 0 EEAEHO Cc1ccc(C)c(OCCN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001441011255 1094287808 /nfs/dbraw/zinc/28/78/08/1094287808.db2.gz LOJSBXUTHKFTIL-QZTJIDSGSA-N 1 3 347.503 2.070 10 0 EEAEHO Cc1ccc(C)c(OCCN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001441011255 1094287815 /nfs/dbraw/zinc/28/78/15/1094287815.db2.gz LOJSBXUTHKFTIL-QZTJIDSGSA-N 1 3 347.503 2.070 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001441357037 1094873954 /nfs/dbraw/zinc/87/39/54/1094873954.db2.gz ZTHRPVVVXUOSKS-ZVZYQTTQSA-N 1 3 335.467 2.396 10 0 EEAEHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001441594874 1095433686 /nfs/dbraw/zinc/43/36/86/1095433686.db2.gz CYVFMEMBOBHJJO-QWHCGFSZSA-N 1 3 328.407 2.214 10 0 EEAEHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH2+]Cc2ocnc2C)CC1 ZINC001443145571 1097575796 /nfs/dbraw/zinc/57/57/96/1097575796.db2.gz OPRVDWVMNWKGKE-AWEZNQCLSA-N 1 3 336.480 2.042 10 0 EEAEHO C[NH+](C)CCC(=O)NC1(CNCc2ccc(F)cc2F)CCCC1 ZINC001444076651 1098601981 /nfs/dbraw/zinc/60/19/81/1098601981.db2.gz HUARPUORPCEBOG-UHFFFAOYSA-N 1 3 339.430 2.435 10 0 EEAEHO C[C@@H]1CCCC[C@@]1(CNCc1ccns1)NC(=O)CC[NH+](C)C ZINC001444149166 1098689531 /nfs/dbraw/zinc/68/95/31/1098689531.db2.gz ASYBSOOYQQCZBI-PBHICJAKSA-N 1 3 338.521 2.250 10 0 EEAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](NCc1ccns1)C1CC1 ZINC001480026225 1099509914 /nfs/dbraw/zinc/50/99/14/1099509914.db2.gz CSWKKDQNZKLAJS-ZBFHGGJFSA-N 1 3 336.505 2.002 10 0 EEAEHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](NCc1ccns1)C1CC1 ZINC001480026225 1099509925 /nfs/dbraw/zinc/50/99/25/1099509925.db2.gz CSWKKDQNZKLAJS-ZBFHGGJFSA-N 1 3 336.505 2.002 10 0 EEAEHO C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1nc2ccccc2o1 ZINC001444784035 1099691962 /nfs/dbraw/zinc/69/19/62/1099691962.db2.gz LDKDSRBURILOJP-GJZGRUSLSA-N 1 3 344.459 2.106 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001480295569 1100009825 /nfs/dbraw/zinc/00/98/25/1100009825.db2.gz FGGDAAPCSNNTCA-MOPGFXCFSA-N 1 3 331.504 2.398 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@H]2CCCCN2C(=O)Cc2c[nH]cn2)cc1 ZINC001480363801 1100136811 /nfs/dbraw/zinc/13/68/11/1100136811.db2.gz ZEPAEAMYKWQBKS-LJQANCHMSA-N 1 3 340.471 2.474 10 0 EEAEHO CN(C)C1(C(=O)NC2CCC([NH2+]CCOC3CCC3)CC2)CCC1 ZINC001480403569 1100216535 /nfs/dbraw/zinc/21/65/35/1100216535.db2.gz RDANFCRWTDZMGQ-UHFFFAOYSA-N 1 3 337.508 2.057 10 0 EEAEHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1cccc2nsnc21 ZINC001495132926 1100799647 /nfs/dbraw/zinc/79/96/47/1100799647.db2.gz AVVYUMMMIRYQOC-AWEZNQCLSA-N 1 3 349.504 2.016 10 0 EEAEHO CC(C)[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC=C(Cl)Cl ZINC001496562033 1101163335 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CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1cccc2c1CCOC2 ZINC001498458184 1107567844 /nfs/dbraw/zinc/56/78/44/1107567844.db2.gz WYULDZGSCOISOX-INIZCTEOSA-N 1 3 347.503 2.036 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cccc2c1CCOC2 ZINC001498458184 1107567848 /nfs/dbraw/zinc/56/78/48/1107567848.db2.gz WYULDZGSCOISOX-INIZCTEOSA-N 1 3 347.503 2.036 10 0 EEAEHO CC[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1NCc1nocc1C ZINC001498904720 1108302263 /nfs/dbraw/zinc/30/22/63/1108302263.db2.gz WNLAYXFLICYGER-JKSUJKDBSA-N 1 3 336.480 2.042 10 0 EEAEHO CC[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1NCc1nocc1C ZINC001498904720 1108302278 /nfs/dbraw/zinc/30/22/78/1108302278.db2.gz WNLAYXFLICYGER-JKSUJKDBSA-N 1 3 336.480 2.042 10 0 EEAEHO CCOCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001493848433 1108732032 /nfs/dbraw/zinc/73/20/32/1108732032.db2.gz FCQJDGYQEUKCRN-FUHWJXTLSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CCOc2ccccc2)CC1 ZINC001499226055 1112187428 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EEAEHO CCC[N@H+](C)CCC(=O)N1CCC(C)(NCc2cc(C)no2)CC1 ZINC001502805778 1113806367 /nfs/dbraw/zinc/80/63/67/1113806367.db2.gz UOOHFYQOUWCGAO-UHFFFAOYSA-N 1 3 336.480 2.186 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1CCC(C)(NCc2cc(C)no2)CC1 ZINC001502805778 1113806368 /nfs/dbraw/zinc/80/63/68/1113806368.db2.gz UOOHFYQOUWCGAO-UHFFFAOYSA-N 1 3 336.480 2.186 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CCOc2ccccc2)[C@@H](C)C1 ZINC001503024410 1113874074 /nfs/dbraw/zinc/87/40/74/1113874074.db2.gz XRPCBQLMPWXXBL-ZWKOTPCHSA-N 1 3 347.503 2.375 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCOc2ccccc2)[C@@H](C)C1 ZINC001503024410 1113874077 /nfs/dbraw/zinc/87/40/77/1113874077.db2.gz XRPCBQLMPWXXBL-ZWKOTPCHSA-N 1 3 347.503 2.375 10 0 EEAEHO CCOCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1CC ZINC001505465557 1114000584 /nfs/dbraw/zinc/00/05/84/1114000584.db2.gz IXSIIOIOQICKDH-ZWKOTPCHSA-N 1 3 339.524 2.210 10 0 EEAEHO CCOCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1CC ZINC001505465557 1114000586 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331.504 2.452 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC001506065000 1114388951 /nfs/dbraw/zinc/38/89/51/1114388951.db2.gz HBKYKUDBVJNJQR-MRXNPFEDSA-N 1 3 331.504 2.452 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N[C@@H](CNCc2ccccn2)C(C)(C)C)CC[N@@H+]1C ZINC001508003618 1115388382 /nfs/dbraw/zinc/38/83/82/1115388382.db2.gz NNWDURIBWHWDAU-BQFCYCMXSA-N 1 3 346.519 2.432 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N[C@@H](CNCc2ccccn2)C(C)(C)C)CC[N@H+]1C ZINC001508003618 1115388384 /nfs/dbraw/zinc/38/83/84/1115388384.db2.gz NNWDURIBWHWDAU-BQFCYCMXSA-N 1 3 346.519 2.432 10 0 EEAEHO C[C@H]1C[C@H](N(C)C(=O)NCc2cccc(C[NH+](C)C)c2)CCN1C ZINC000173946617 231077964 /nfs/dbraw/zinc/07/79/64/231077964.db2.gz BUVWIGCAHCUHHW-MAUKXSAKSA-N 1 3 332.492 2.372 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415976990 530063512 /nfs/dbraw/zinc/06/35/12/530063512.db2.gz WCPGCRAPHIELFO-ZDUSSCGKSA-N 1 3 330.354 2.380 10 0 EEAEHO CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](CCC[NH3+])COC)ccc2NC1=O ZINC000422810577 240237701 /nfs/dbraw/zinc/23/77/01/240237701.db2.gz NSTRODJDGQFGDW-INWMFGNUSA-N 1 3 335.448 2.201 10 0 EEAEHO COc1cc(OC)cc(N2CC[C@H](CN[C@H]3C[NH2+]CC[C@@H]3C)C2)c1 ZINC000422869895 240268882 /nfs/dbraw/zinc/26/88/82/240268882.db2.gz AYPGMJCMTJLWMS-KHYOSLBOSA-N 1 3 333.476 2.118 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2OCCN(C)C)CC[N@@H+]1C ZINC000266003577 248018859 /nfs/dbraw/zinc/01/88/59/248018859.db2.gz QGACEYHEFUHAQA-HZPDHXFCSA-N 1 3 333.476 2.182 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2OCCN(C)C)CC[N@H+]1C ZINC000266003577 248018860 /nfs/dbraw/zinc/01/88/60/248018860.db2.gz QGACEYHEFUHAQA-HZPDHXFCSA-N 1 3 333.476 2.182 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCN(C)CC1 ZINC000268737523 252188585 /nfs/dbraw/zinc/18/85/85/252188585.db2.gz OOVYKEFQJNALJF-FPOVZHCZSA-N 1 3 344.547 2.124 10 0 EEAEHO CC(C)C[C@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)C(=O)NCCN(C)C ZINC000352728297 162262394 /nfs/dbraw/zinc/26/23/94/162262394.db2.gz YCBOHPKOFZAJQM-YJBOKZPZSA-N 1 3 335.492 2.005 10 0 EEAEHO CC(C)[C@@H](CNC(=O)N[C@@H]1CNCCC1(F)F)[NH+]1CCC(C)CC1 ZINC000417002296 313390193 /nfs/dbraw/zinc/39/01/93/313390193.db2.gz GBQNDTIFXSBOEV-HUUCEWRRSA-N 1 3 346.466 2.039 10 0 EEAEHO CC(C)C[C@H]([NH2+][C@H](C)Cc1ccccc1F)C(=O)NCCN(C)C ZINC000437778917 315051636 /nfs/dbraw/zinc/05/16/36/315051636.db2.gz BGGQGEKDWKHSKM-QAPCUYQASA-N 1 3 337.483 2.439 10 0 EEAEHO CC(C)[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000445523399 315357445 /nfs/dbraw/zinc/35/74/45/315357445.db2.gz ZUZHHTFMNTXMQG-INIZCTEOSA-N 1 3 336.524 2.233 10 0 EEAEHO C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000498014736 316332642 /nfs/dbraw/zinc/33/26/42/316332642.db2.gz KXZYLTVRDNNCQP-LZWOXQAQSA-N 1 3 338.521 2.380 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@H](O)CC1(O)CCC1 ZINC000528450208 317390276 /nfs/dbraw/zinc/39/02/76/317390276.db2.gz NLCKOWLOVDXGDK-KVPLUYHFSA-N 1 3 346.515 2.399 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@H](O)CC1(O)CCC1 ZINC000528450208 317390278 /nfs/dbraw/zinc/39/02/78/317390278.db2.gz NLCKOWLOVDXGDK-KVPLUYHFSA-N 1 3 346.515 2.399 10 0 EEAEHO CN(C)Cc1ccccc1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000540926904 318084403 /nfs/dbraw/zinc/08/44/03/318084403.db2.gz FMCZPDLVOOWERJ-UHFFFAOYSA-N 1 3 326.444 2.286 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000563529159 319019678 /nfs/dbraw/zinc/01/96/78/319019678.db2.gz GXASCTUFKYCQGQ-NXHRZFHOSA-N 1 3 330.476 2.121 10 0 EEAEHO C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[C@H](c1ccccc1)N(C)C ZINC000574786972 320057957 /nfs/dbraw/zinc/05/79/57/320057957.db2.gz HHWXRAPPWWDFLR-HQRMLTQVSA-N 1 3 344.503 2.463 10 0 EEAEHO CN(C)C[C@@H]1CC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000153670597 462678078 /nfs/dbraw/zinc/67/80/78/462678078.db2.gz KPFCOHNSPIPEIU-DZGCQCFKSA-N 1 3 330.394 2.492 10 0 EEAEHO CN(C)C[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000153670597 462678082 /nfs/dbraw/zinc/67/80/82/462678082.db2.gz KPFCOHNSPIPEIU-DZGCQCFKSA-N 1 3 330.394 2.492 10 0 EEAEHO C[C@H]1CCCCN1CCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000065057594 462734563 /nfs/dbraw/zinc/73/45/63/462734563.db2.gz NVQGOBCBQQEVPD-INIZCTEOSA-N 1 3 333.476 2.231 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+](CCO)CC2CC2)CC1 ZINC000092506009 462958188 /nfs/dbraw/zinc/95/81/88/462958188.db2.gz FYYDREQRTHLLRC-UHFFFAOYSA-N 1 3 331.504 2.423 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+](CCO)CC2CC2)CC1 ZINC000092506009 462958190 /nfs/dbraw/zinc/95/81/90/462958190.db2.gz FYYDREQRTHLLRC-UHFFFAOYSA-N 1 3 331.504 2.423 10 0 EEAEHO CN(CCC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000185162904 463765984 /nfs/dbraw/zinc/76/59/84/463765984.db2.gz WLEVHUXPAFCNTE-GOSISDBHSA-N 1 3 332.492 2.417 10 0 EEAEHO COC1(C[C@H](C)[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CCC1 ZINC000277022653 463847228 /nfs/dbraw/zinc/84/72/28/463847228.db2.gz DKKGOPPQFNNLOG-INIZCTEOSA-N 1 3 347.503 2.415 10 0 EEAEHO CN(C)C[C@H](NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000175646093 464593667 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COc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1OCCO ZINC000353451603 465892285 /nfs/dbraw/zinc/89/22/85/465892285.db2.gz AUPMAHCXFZGQNW-GVDBMIGSSA-N 1 3 334.460 2.029 10 0 EEAEHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccc1OCCO ZINC000353451603 465892295 /nfs/dbraw/zinc/89/22/95/465892295.db2.gz AUPMAHCXFZGQNW-GVDBMIGSSA-N 1 3 334.460 2.029 10 0 EEAEHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)ccc1OCCO ZINC000353451603 465892302 /nfs/dbraw/zinc/89/23/02/465892302.db2.gz AUPMAHCXFZGQNW-GVDBMIGSSA-N 1 3 334.460 2.029 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(OC)cc(C)n1 ZINC000349039968 465934880 /nfs/dbraw/zinc/93/48/80/465934880.db2.gz ZPIAZYOXEZICOS-GOSISDBHSA-N 1 3 334.508 2.247 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(OC)cc(C)n1 ZINC000349039968 465934892 /nfs/dbraw/zinc/93/48/92/465934892.db2.gz ZPIAZYOXEZICOS-GOSISDBHSA-N 1 3 334.508 2.247 10 0 EEAEHO C[N@H+](CCCn1ccnc1)[C@@H]1CCCN(CCCn2ccnc2)CC1 ZINC000361990174 466464292 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C[NH+](C)C1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000372974252 466650639 /nfs/dbraw/zinc/65/06/39/466650639.db2.gz DMIDLWGVTTZIAL-HXUWFJFHSA-N 1 3 331.504 2.304 10 0 EEAEHO COc1cccc(CN(C[C@H]2CCCO2)C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662252999 472042427 /nfs/dbraw/zinc/04/24/27/472042427.db2.gz FSWJQUSFRXKFDG-RTBURBONSA-N 1 3 346.471 2.197 10 0 EEAEHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417109613 466782391 /nfs/dbraw/zinc/78/23/91/466782391.db2.gz KRIZFEGEFMBWIR-PKOBYXMFSA-N 1 3 342.487 2.187 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CN1Cc1ccccc1 ZINC000417874766 466965549 /nfs/dbraw/zinc/96/55/49/466965549.db2.gz NLOXQBNZSANNCE-XGXHKWSGSA-N 1 3 342.487 2.043 10 0 EEAEHO COc1ccc(CNC(=O)CN2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000374165979 467020150 /nfs/dbraw/zinc/02/01/50/467020150.db2.gz VCMXAESXDVYNFE-UHFFFAOYSA-N 1 3 345.487 2.119 10 0 EEAEHO CCN(CC)C(=O)C1CC[NH+](C[C@@H](CN)c2ccc(OC)cc2)CC1 ZINC000420301018 467343669 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NC1(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)CCOCC1 ZINC000629387738 469529114 /nfs/dbraw/zinc/52/91/14/469529114.db2.gz JUBSXFRYQHBUFL-UHFFFAOYSA-N 1 3 327.428 2.258 10 0 EEAEHO CC(C)(C)N1CC[C@H]1CNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000617010460 469569874 /nfs/dbraw/zinc/56/98/74/469569874.db2.gz PLMRWFFLFIPKAM-SFHVURJKSA-N 1 3 329.488 2.424 10 0 EEAEHO CC(C)(C)N1CC[C@H]1CNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000617010460 469569876 /nfs/dbraw/zinc/56/98/76/469569876.db2.gz PLMRWFFLFIPKAM-SFHVURJKSA-N 1 3 329.488 2.424 10 0 EEAEHO CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)c1 ZINC000623362215 469634688 /nfs/dbraw/zinc/63/46/88/469634688.db2.gz KJEXXJADVRJTRP-MRXNPFEDSA-N 1 3 333.476 2.116 10 0 EEAEHO CC(C)Cc1nc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cs1 ZINC000617504622 469703545 /nfs/dbraw/zinc/70/35/45/469703545.db2.gz CBEFZOFYTTVCBP-AWEZNQCLSA-N 1 3 340.537 2.343 10 0 EEAEHO CC(C)Cc1nc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cs1 ZINC000617504622 469703551 /nfs/dbraw/zinc/70/35/51/469703551.db2.gz CBEFZOFYTTVCBP-AWEZNQCLSA-N 1 3 340.537 2.343 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccccc1OC1CC1 ZINC000617508204 469708478 /nfs/dbraw/zinc/70/84/78/469708478.db2.gz XNYWHVXOZKKERC-HNNXBMFYSA-N 1 3 333.476 2.230 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccccc1OC1CC1 ZINC000617508204 469708483 /nfs/dbraw/zinc/70/84/83/469708483.db2.gz XNYWHVXOZKKERC-HNNXBMFYSA-N 1 3 333.476 2.230 10 0 EEAEHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000626930689 469759351 /nfs/dbraw/zinc/75/93/51/469759351.db2.gz GUHJXYJGHZAINA-MAUKXSAKSA-N 1 3 330.476 2.009 10 0 EEAEHO C[C@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)N(C)Cc1ccccc1 ZINC000626974468 469774009 /nfs/dbraw/zinc/77/40/09/469774009.db2.gz GRQVYINPHZRVCI-WBVHZDCISA-N 1 3 330.476 2.091 10 0 EEAEHO C[C@H](NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@@H](c1ccccc1)N(C)C ZINC000627033890 469797543 /nfs/dbraw/zinc/79/75/43/469797543.db2.gz XLVIVXYHIOCMAH-LWCVALJOSA-N 1 3 344.503 2.319 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C[NH2+]1 ZINC000627199023 469841303 /nfs/dbraw/zinc/84/13/03/469841303.db2.gz QCENYJKMMYXBLU-ZIFCJYIRSA-N 1 3 344.503 2.433 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000625284583 470112246 /nfs/dbraw/zinc/11/22/46/470112246.db2.gz AYVNFJWNEMGNFX-RCCFBDPRSA-N 1 3 349.906 2.178 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC000633614066 470531426 /nfs/dbraw/zinc/53/14/26/470531426.db2.gz MCTDMAFEIBJSPC-SUMWQHHRSA-N 1 3 337.895 2.368 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC000633614066 470531432 /nfs/dbraw/zinc/53/14/32/470531432.db2.gz MCTDMAFEIBJSPC-SUMWQHHRSA-N 1 3 337.895 2.368 10 0 EEAEHO OC1(C2CCN(C/C=C\C[NH+]3CCC(C4(O)CC4)CC3)CC2)CC1 ZINC000649671033 470661660 /nfs/dbraw/zinc/66/16/60/470661660.db2.gz FZQXGJNCUKPZON-UPHRSURJSA-N 1 3 334.504 2.016 10 0 EEAEHO CNC(=O)[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)Cc1ccc(C(F)(F)F)cc1 ZINC000647804097 470988797 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/nfs/dbraw/zinc/48/18/24/1191481824.db2.gz BIUIPTXIGXMVHZ-KRWDZBQOSA-N 1 3 339.524 2.257 10 0 EEAEHO CCCCOCCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485055313 1191628500 /nfs/dbraw/zinc/62/85/00/1191628500.db2.gz JNMYERTVFNOVNL-FGTMMUONSA-N 1 3 339.524 2.066 10 0 EEAEHO CCCCOCCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485055313 1191628503 /nfs/dbraw/zinc/62/85/03/1191628503.db2.gz JNMYERTVFNOVNL-FGTMMUONSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@@H](C(=O)N(C)C1CC(NCc2cnoc2C)C1)[NH+](CC)CC ZINC001486476096 1193989298 /nfs/dbraw/zinc/98/92/98/1193989298.db2.gz MIJYKRXVGHUHHH-JCYILVPMSA-N 1 3 336.480 2.182 10 0 EEAEHO C[C@@H](CCNCc1cc(F)ccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001272995042 1194303286 /nfs/dbraw/zinc/30/32/86/1194303286.db2.gz VAFOHHJMSNVNGH-ZDUSSCGKSA-N 1 3 339.430 2.291 10 0 EEAEHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccccc1N(C)C ZINC001410436422 1197889994 /nfs/dbraw/zinc/88/99/94/1197889994.db2.gz NKCZCULEKZOJBB-IAGOWNOFSA-N 1 3 346.519 2.031 10 0 EEAEHO COCCCNC(=O)[C@H](C)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158873 1198065403 /nfs/dbraw/zinc/06/54/03/1198065403.db2.gz YPZWXIPFPIPZIV-LZLYRXPVSA-N 1 3 339.524 2.147 10 0 EEAEHO COc1ccc(CNC/C=C\CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001274161454 1204420299 /nfs/dbraw/zinc/42/02/99/1204420299.db2.gz IOTIYRNNZJWHNC-IHWYPQMZSA-N 1 3 343.471 2.086 10 0 EEAEHO Cc1cccc(N2CCN(CCCN[C@@H]3CC[NH2+]C34CCC4)CC2)c1 ZINC000925528175 1206123601 /nfs/dbraw/zinc/12/36/01/1206123601.db2.gz YVOGPFNTORTGAP-HXUWFJFHSA-N 1 3 342.531 2.381 10 0 EEAEHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)c2)nn1 ZINC000925722488 1206146579 /nfs/dbraw/zinc/14/65/79/1206146579.db2.gz LKUVUMUSYMNLJO-IXDOHACOSA-N 1 3 341.459 2.021 10 0 EEAEHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cccc(N2CCOCC2)c1 ZINC000925780031 1206153679 /nfs/dbraw/zinc/15/36/79/1206153679.db2.gz QOJKIFXBZJFWTH-HOCLYGCPSA-N 1 3 339.430 2.419 10 0 EEAEHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@H](O)c1ccccc1Br ZINC000926556014 1206227246 /nfs/dbraw/zinc/22/72/46/1206227246.db2.gz PZZLOWANEYVFAU-SQJLCCANSA-N 1 3 339.277 2.412 10 0 EEAEHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@H](O)c1ccccc1Br ZINC000926556014 1206227249 /nfs/dbraw/zinc/22/72/49/1206227249.db2.gz PZZLOWANEYVFAU-SQJLCCANSA-N 1 3 339.277 2.412 10 0 EEAEHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@](O)(CC)C(F)(F)F)C1 ZINC000929771143 1206500290 /nfs/dbraw/zinc/50/02/90/1206500290.db2.gz KLMKNFATAAWXRG-KGLIPLIRSA-N 1 3 326.403 2.123 10 0 EEAEHO Cc1ccc(CNC(=O)C2CCN(C[C@@H]3C[NH2+]C[C@H]3C)CC2)cc1 ZINC000903432396 1240458519 /nfs/dbraw/zinc/45/85/19/1240458519.db2.gz AECKHAYLLKQLHZ-APWZRJJASA-N 1 3 329.488 2.179 10 0 EEAEHO c1cc2c(c([C@@H]3CCCN3C[C@H]3C[C@]4(CC[NH2+]C4)CO3)c1)OCCO2 ZINC000903725780 1241732012 /nfs/dbraw/zinc/73/20/12/1241732012.db2.gz HGCIRUXWJTVWRK-SYNHAJSKSA-N 1 3 344.455 2.363 10 0 EEAEHO C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CCC(c2nc(C3CCC3)no2)CC1 ZINC000903779221 1241923146 /nfs/dbraw/zinc/92/31/46/1241923146.db2.gz WOFOCOHZDMNXIY-VQIMIIECSA-N 1 3 346.475 2.285 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CN2CCC(c3ccc(C)nc3)CC2)cnn1C ZINC000903910956 1242445187 /nfs/dbraw/zinc/44/51/87/1242445187.db2.gz TYXUAPCZUDFJPV-KRWDZBQOSA-N 1 3 341.503 2.429 10 0 EEAEHO Fc1cc(CNCC2CC[NH+](C3CCOCC3)CC2)c(F)cn1 ZINC000826816432 1248083022 /nfs/dbraw/zinc/08/30/22/1248083022.db2.gz VADOJFUVNDGSPF-UHFFFAOYSA-N 1 3 325.403 2.340 10 0 EEAEHO CC[NH+]1CCC(CNC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000827631778 1248514848 /nfs/dbraw/zinc/51/48/48/1248514848.db2.gz QKIMQAUIUNLEOU-OAHLLOKOSA-N 1 3 338.883 2.281 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCOc1ccccc1 ZINC001491453910 1259104503 /nfs/dbraw/zinc/10/45/03/1259104503.db2.gz DWMLRGRJCOLOMV-WMZOPIPTSA-N 1 3 333.476 2.033 10 0 EEAEHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Cc1cccc(OC)c1 ZINC001480996254 1276697653 /nfs/dbraw/zinc/69/76/53/1276697653.db2.gz QNMFJRLEZHSFIR-WMZOPIPTSA-N 1 3 347.503 2.364 10 0 EEAEHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1cccc(OC)c1 ZINC001480996254 1276697664 /nfs/dbraw/zinc/69/76/64/1276697664.db2.gz QNMFJRLEZHSFIR-WMZOPIPTSA-N 1 3 347.503 2.364 10 0 EEAEHO CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1cccc2c1CCOC2)N(C)C ZINC001273609987 1281121533 /nfs/dbraw/zinc/12/15/33/1281121533.db2.gz GTODKTKEHXLQEX-IBGZPJMESA-N 1 3 347.503 2.038 10 0 EEAEHO CCN(CCNCc1cncs1)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001273644640 1282110839 /nfs/dbraw/zinc/11/08/39/1282110839.db2.gz AROBDFXMSZLHLS-INIZCTEOSA-N 1 3 338.521 2.344 10 0 EEAEHO CCN(CCNCc1cncs1)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001273644640 1282110853 /nfs/dbraw/zinc/11/08/53/1282110853.db2.gz AROBDFXMSZLHLS-INIZCTEOSA-N 1 3 338.521 2.344 10 0 EEAEHO CCN(C)Cc1cc(O[C@H]2CCN(CC[NH+]3CCCC3)C2)ccn1 ZINC000856591250 1293573940 /nfs/dbraw/zinc/57/39/40/1293573940.db2.gz LJFXGWANYYVMBG-IBGZPJMESA-N 1 3 332.492 2.082 10 0 EEAEHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCC3OCCO3)C2)ccn1 ZINC000856605547 1293579325 /nfs/dbraw/zinc/57/93/25/1293579325.db2.gz XOOBPQAHQPFMLB-SFHVURJKSA-N 1 3 349.475 2.138 10 0 EEAEHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCC3OCCO3)C2)ccn1 ZINC000856605547 1293579331 /nfs/dbraw/zinc/57/93/31/1293579331.db2.gz XOOBPQAHQPFMLB-SFHVURJKSA-N 1 3 349.475 2.138 10 0 EEAEHO Cn1nccc1[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000927137821 1297032431 /nfs/dbraw/zinc/03/24/31/1297032431.db2.gz YBFJDAMFXYTQGQ-AJYBTWMASA-N 1 3 340.471 2.239 10 0 EEAEHO CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](CCCCCOC)C2)N(C)C ZINC001276887081 1300113711 /nfs/dbraw/zinc/11/37/11/1300113711.db2.gz SUSUVQWOSCQGEP-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CCCCCOC)C2)N(C)C ZINC001276887081 1300113718 /nfs/dbraw/zinc/11/37/18/1300113718.db2.gz SUSUVQWOSCQGEP-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO CC(C)COCC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001281527076 1303947482 /nfs/dbraw/zinc/94/74/82/1303947482.db2.gz XVCJRZVSXXRFGC-QGZVFWFLSA-N 1 3 341.540 2.216 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccnc(Cl)c2)C[C@H]1C ZINC001278424961 1310206612 /nfs/dbraw/zinc/20/66/12/1310206612.db2.gz XXWRCJLJCWADEL-HIFRSBDPSA-N 1 3 338.883 2.154 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc(Cl)n1 ZINC000841849896 1315623243 /nfs/dbraw/zinc/62/32/43/1315623243.db2.gz OOIOCDYHZRBDTA-CYUUQNCZSA-N 1 3 336.867 2.019 10 0 EEAEHO CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]1C ZINC001281684538 1325399536 /nfs/dbraw/zinc/39/95/36/1325399536.db2.gz TXPXIWKAUQWZBE-DLBZAZTESA-N 1 3 327.513 2.111 10 0 EEAEHO CC(C)OCCC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]1C ZINC001281684538 1325399549 /nfs/dbraw/zinc/39/95/49/1325399549.db2.gz TXPXIWKAUQWZBE-DLBZAZTESA-N 1 3 327.513 2.111 10 0 EEAEHO C[C@@H](F)CC[NH2+]C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001317162497 1325563630 /nfs/dbraw/zinc/56/36/30/1325563630.db2.gz UGLOVPWQTGNXDY-IAGOWNOFSA-N 1 3 327.488 2.295 10 0 EEAEHO Cc1ccc(CC[NH2+]CC2CC(NC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001282058586 1325603119 /nfs/dbraw/zinc/60/31/19/1325603119.db2.gz PVZGHWRMECTTCJ-QHGAOEGBSA-N 1 3 343.515 2.364 10 0 EEAEHO CCCN(C)CC(=O)N[C@H](C[NH2+]CCC(F)(F)F)C(C)(C)C ZINC001284643841 1326644575 /nfs/dbraw/zinc/64/45/75/1326644575.db2.gz QKJOWZOVGRMMIO-GFCCVEGCSA-N 1 3 325.419 2.401 10 0 EEAEHO Cc1cncc(CN[C@@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001491603082 1330200821 /nfs/dbraw/zinc/20/08/21/1330200821.db2.gz QLYQUDNTHVKMGR-DLBZAZTESA-N 1 3 332.492 2.249 10 0 EEAEHO Cc1nc(C)c(CN[C@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001492067498 1330440427 /nfs/dbraw/zinc/44/04/27/1330440427.db2.gz IIJWCMYJHMVHTA-CYBMUJFWSA-N 1 3 336.480 2.150 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCOC1CCC1 ZINC001316881853 1331948260 /nfs/dbraw/zinc/94/82/60/1331948260.db2.gz WQRAWVMMTLUNKI-AEFFLSMTSA-N 1 3 339.524 2.255 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]Cc2cccc3cccnc32)C1 ZINC001317625555 1332334557 /nfs/dbraw/zinc/33/45/57/1332334557.db2.gz GOWHVLOAKVBWTF-INIZCTEOSA-N 1 3 340.471 2.125 10 0 EEAEHO Cc1ncc(C[N@@H+](CCCNC(=O)CN2CCCC2)C(C)C)s1 ZINC001317709451 1332382843 /nfs/dbraw/zinc/38/28/43/1332382843.db2.gz YMWKOMLRHZXKCF-UHFFFAOYSA-N 1 3 338.521 2.264 10 0 EEAEHO Cc1ncc(C[N@H+](CCCNC(=O)CN2CCCC2)C(C)C)s1 ZINC001317709451 1332382846 /nfs/dbraw/zinc/38/28/46/1332382846.db2.gz YMWKOMLRHZXKCF-UHFFFAOYSA-N 1 3 338.521 2.264 10 0 EEAEHO COCCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001319710315 1332747829 /nfs/dbraw/zinc/74/78/29/1332747829.db2.gz LVEFVYGKYGVOBS-LPHOPBHVSA-N 1 3 347.503 2.225 10 0 EEAEHO C[C@@H](CCNCc1nccs1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001320414266 1332878186 /nfs/dbraw/zinc/87/81/86/1332878186.db2.gz DCOQGUANUJSFCB-AWEZNQCLSA-N 1 3 338.521 2.392 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001320621816 1332922666 /nfs/dbraw/zinc/92/26/66/1332922666.db2.gz FQOFYYDCWPNWFC-CYBMUJFWSA-N 1 3 339.443 2.427 10 0 EEAEHO C[C@H](NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(F)cc1 ZINC001321067694 1333010511 /nfs/dbraw/zinc/01/05/11/1333010511.db2.gz XMAXEGDRWLOJST-INUTWKSMSA-N 1 3 333.451 2.489 10 0 EEAEHO C[C@H](NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(F)cc1 ZINC001321067694 1333010513 /nfs/dbraw/zinc/01/05/13/1333010513.db2.gz XMAXEGDRWLOJST-INUTWKSMSA-N 1 3 333.451 2.489 10 0 EEAEHO Cc1cccc(C)c1OCC[NH2+]C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001321652963 1333138558 /nfs/dbraw/zinc/13/85/58/1333138558.db2.gz SHTBAOKEZWGHBZ-MAUKXSAKSA-N 1 3 347.503 2.118 10 0 EEAEHO C[C@@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)c1cccc(CN(C)C)c1 ZINC001322087244 1333207184 /nfs/dbraw/zinc/20/71/84/1333207184.db2.gz GJHIKOXQTSBJQY-MAUKXSAKSA-N 1 3 333.476 2.025 10 0 EEAEHO C[C@@H](NC[C@@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1)c1cnccn1 ZINC001324817416 1333766356 /nfs/dbraw/zinc/76/63/56/1333766356.db2.gz IEBAIBZSMITPTM-VQIMIIECSA-N 1 3 347.507 2.098 10 0 EEAEHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC[C@@H]1CCCCO1)N(C)C ZINC001328643801 1334492842 /nfs/dbraw/zinc/49/28/42/1334492842.db2.gz JEUCXEWUBZMRRX-BZSNNMDCSA-N 1 3 339.524 2.257 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCC([N@H+](C)CCCCCF)CC2)C1 ZINC001331054524 1334954413 /nfs/dbraw/zinc/95/44/13/1334954413.db2.gz SKZIGGWKEWHPDS-MRXNPFEDSA-N 1 3 327.488 2.391 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCC([N@@H+](C)CCCCCF)CC2)C1 ZINC001331054524 1334954414 /nfs/dbraw/zinc/95/44/14/1334954414.db2.gz SKZIGGWKEWHPDS-MRXNPFEDSA-N 1 3 327.488 2.391 10 0 EEAEHO CC[C@@H](C(=O)NCC1=CC[N@H+](CC[C@@H]2CCCCO2)CC1)N(C)C ZINC001333433172 1336046051 /nfs/dbraw/zinc/04/60/51/1336046051.db2.gz KBNHNVJZMKPDBO-ROUUACIJSA-N 1 3 337.508 2.034 10 0 EEAEHO CC[C@@H](C(=O)NCC1=CC[N@@H+](CC[C@@H]2CCCCO2)CC1)N(C)C ZINC001333433172 1336046054 /nfs/dbraw/zinc/04/60/54/1336046054.db2.gz KBNHNVJZMKPDBO-ROUUACIJSA-N 1 3 337.508 2.034 10 0 EEAEHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc2ccccc2n1 ZINC000849074041 1338835624 /nfs/dbraw/zinc/83/56/24/1338835624.db2.gz ZLQUBIQOQGXXMX-KRWDZBQOSA-N 1 3 325.460 2.376 10 0 EEAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@@H](NCc2ccc(F)cn2)C1 ZINC001436354600 1342047928 /nfs/dbraw/zinc/04/79/28/1342047928.db2.gz RYOVAWASTARQSP-QGTPRVQTSA-N 1 3 348.466 2.080 10 0 EEAEHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@@H](NCc2ccc(F)cn2)C1 ZINC001436354600 1342047931 /nfs/dbraw/zinc/04/79/31/1342047931.db2.gz RYOVAWASTARQSP-QGTPRVQTSA-N 1 3 348.466 2.080 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CC/C=C\c2ccccc2)C1 ZINC001499119840 1342108103 /nfs/dbraw/zinc/10/81/03/1342108103.db2.gz IPDRVQGRSORUSN-CIJAKILZSA-N 1 3 327.472 2.232 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CC/C=C\c2ccccc2)C1 ZINC001499119840 1342108105 /nfs/dbraw/zinc/10/81/05/1342108105.db2.gz IPDRVQGRSORUSN-CIJAKILZSA-N 1 3 327.472 2.232 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1ccnc(Cl)c1 ZINC001567017187 1342679348 /nfs/dbraw/zinc/67/93/48/1342679348.db2.gz VOYQJOFGQREYQM-DZGCQCFKSA-N 1 3 338.883 2.202 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1ccnc(Cl)c1 ZINC001567017187 1342679352 /nfs/dbraw/zinc/67/93/52/1342679352.db2.gz VOYQJOFGQREYQM-DZGCQCFKSA-N 1 3 338.883 2.202 10 0 EEAEHO CCN(CC[NH2+]CC[C@H](C)F)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001568775846 1342853938 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ISOMUCHZDYPLGL-SJLPKXTDSA-N 1 3 339.524 2.162 10 0 EEAEHO CCCNCc1nc2c(s1)CCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001657086799 1354320602 /nfs/dbraw/zinc/32/06/02/1354320602.db2.gz NODTXGITAJAIRQ-UHFFFAOYSA-N 1 3 348.516 2.156 10 0 EEAEHO Cc1ccncc1CN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001660686165 1354516467 /nfs/dbraw/zinc/51/64/67/1354516467.db2.gz ZCURCOIYJXGKGI-VQIMIIECSA-N 1 3 344.503 2.201 10 0 EEAEHO Cc1ccncc1CN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001660686165 1354516471 /nfs/dbraw/zinc/51/64/71/1354516471.db2.gz ZCURCOIYJXGKGI-VQIMIIECSA-N 1 3 344.503 2.201 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CNCC=C(Cl)Cl)C1 ZINC001661968531 1354730138 /nfs/dbraw/zinc/73/01/38/1354730138.db2.gz QTOLLSJQFFHZJP-QWHCGFSZSA-N 1 3 334.291 2.228 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CNCC=C(Cl)Cl)C1 ZINC001661968531 1354730143 /nfs/dbraw/zinc/73/01/43/1354730143.db2.gz QTOLLSJQFFHZJP-QWHCGFSZSA-N 1 3 334.291 2.228 10 0 EEAEHO Cc1ncc(CNCC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)o1 ZINC001668116928 1355875065 /nfs/dbraw/zinc/87/50/65/1355875065.db2.gz BNVZZDSOHIYKHX-YOEHRIQHSA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1ncc(CNCC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)o1 ZINC001668116928 1355875070 /nfs/dbraw/zinc/87/50/70/1355875070.db2.gz BNVZZDSOHIYKHX-YOEHRIQHSA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1nocc1CNCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001668118025 1355876346 /nfs/dbraw/zinc/87/63/46/1355876346.db2.gz PPRBCSUQBMCOPO-PBHICJAKSA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1nocc1CNCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001668118025 1355876349 /nfs/dbraw/zinc/87/63/49/1355876349.db2.gz PPRBCSUQBMCOPO-PBHICJAKSA-N 1 3 336.480 2.088 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001668280054 1355914853 /nfs/dbraw/zinc/91/48/53/1355914853.db2.gz YWNGRURBVOPZJF-TZMCWYRMSA-N 1 3 326.872 2.060 10 0 EEAEHO C[C@H](NC/C=C/CNC(=O)CC[NH+](C)C)c1ccc(F)c(F)c1 ZINC001669020895 1356070142 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EEAEHO CN1CCN(CCCOc2ccc(NC3CC[NH+](C)CC3)cc2)CC1 ZINC000846050632 790038102 /nfs/dbraw/zinc/03/81/02/790038102.db2.gz PZUOFSGTKBZTFH-UHFFFAOYSA-N 1 3 346.519 2.209 10 0 EEAEHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000921848114 797202768 /nfs/dbraw/zinc/20/27/68/797202768.db2.gz GLFVBQYXSNJZOL-QFHJOOASSA-N 1 3 344.503 2.289 10 0 EEAEHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000921848114 797202774 /nfs/dbraw/zinc/20/27/74/797202774.db2.gz GLFVBQYXSNJZOL-QFHJOOASSA-N 1 3 344.503 2.289 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2c(C)nsc2C)C1 ZINC001436400719 1087748640 /nfs/dbraw/zinc/74/86/40/1087748640.db2.gz QBLQMKXKFUNXCE-SHTZXODSSA-N 1 3 338.521 2.086 10 0 EEAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001437189116 1089230889 /nfs/dbraw/zinc/23/08/89/1089230889.db2.gz RDCIUDUGKBSWRP-UONOGXRCSA-N 1 3 331.451 2.391 10 0 EEAEHO CCc1ccccc1CC[NH+]1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001438163811 1090676634 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330.476 2.215 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000073331862 463604636 /nfs/dbraw/zinc/60/46/36/463604636.db2.gz PBOBGFVEBXUIKU-OAHLLOKOSA-N 1 3 330.476 2.205 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)CCN2CCCC2)CC1 ZINC000073377978 463608744 /nfs/dbraw/zinc/60/87/44/463608744.db2.gz RRTOGBCHTGLICN-UHFFFAOYSA-N 1 3 330.476 2.161 10 0 EEAEHO CCc1cccc(F)c1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261991274 463920450 /nfs/dbraw/zinc/92/04/50/463920450.db2.gz SJPATFJMMKZEBT-KXBFYZLASA-N 1 3 347.478 2.468 10 0 EEAEHO Cc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(OCCN(C)C)c1 ZINC000172502577 464094028 /nfs/dbraw/zinc/09/40/28/464094028.db2.gz KZCKGUAEJFJKGI-MRXNPFEDSA-N 1 3 346.475 2.247 10 0 EEAEHO Cc1ccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c(OCCN(C)C)c1 ZINC000172502577 464094032 /nfs/dbraw/zinc/09/40/32/464094032.db2.gz KZCKGUAEJFJKGI-MRXNPFEDSA-N 1 3 346.475 2.247 10 0 EEAEHO CN(Cc1cnc[nH]1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000179518633 464150246 /nfs/dbraw/zinc/15/02/46/464150246.db2.gz ITSXNKVZKUBWGB-LJQANCHMSA-N 1 3 328.460 2.287 10 0 EEAEHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN(C)Cc1ccccc1 ZINC000174267002 464386004 /nfs/dbraw/zinc/38/60/04/464386004.db2.gz SZECAHBKLJRMJP-RBUKOAKNSA-N 1 3 344.503 2.387 10 0 EEAEHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCN(C)Cc1ccccc1 ZINC000174267002 464386008 /nfs/dbraw/zinc/38/60/08/464386008.db2.gz SZECAHBKLJRMJP-RBUKOAKNSA-N 1 3 344.503 2.387 10 0 EEAEHO COc1cc2c(cc1F)CC[C@H]2NCCN1CCC([NH+](C)C)CC1 ZINC000281500148 464480017 /nfs/dbraw/zinc/48/00/17/464480017.db2.gz GREGZFNQWNTIBH-GOSISDBHSA-N 1 3 335.467 2.437 10 0 EEAEHO C[C@@H](Cn1cncn1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272425887 464602374 /nfs/dbraw/zinc/60/23/74/464602374.db2.gz OVCVPWXWADXNHE-KANFNMMFSA-N 1 3 325.460 2.452 10 0 EEAEHO C[C@@H](Cn1cncn1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272425887 464602382 /nfs/dbraw/zinc/60/23/82/464602382.db2.gz OVCVPWXWADXNHE-KANFNMMFSA-N 1 3 325.460 2.452 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000247511923 464687956 /nfs/dbraw/zinc/68/79/56/464687956.db2.gz PVHLCBUVRUJXRF-OALUTQOASA-N 1 3 344.503 2.341 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000247511923 464687964 /nfs/dbraw/zinc/68/79/64/464687964.db2.gz PVHLCBUVRUJXRF-OALUTQOASA-N 1 3 344.503 2.341 10 0 EEAEHO Cc1cnn([C@@H]2CCC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)c1 ZINC000192736042 464986764 /nfs/dbraw/zinc/98/67/64/464986764.db2.gz XXRZOUCYXNPCMG-LJQANCHMSA-N 1 3 333.524 2.245 10 0 EEAEHO Cc1cnn([C@@H]2CCC[N@H+](CCCN3CCN(C(C)C)CC3)C2)c1 ZINC000192736042 464986768 /nfs/dbraw/zinc/98/67/68/464986768.db2.gz XXRZOUCYXNPCMG-LJQANCHMSA-N 1 3 333.524 2.245 10 0 EEAEHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000349805502 466250147 /nfs/dbraw/zinc/25/01/47/466250147.db2.gz YAIKQQCIDDKKQF-HPFXQQBRSA-N 1 3 336.524 2.231 10 0 EEAEHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000349805502 466250150 /nfs/dbraw/zinc/25/01/50/466250150.db2.gz YAIKQQCIDDKKQF-HPFXQQBRSA-N 1 3 336.524 2.231 10 0 EEAEHO CN1CC[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)[C@H]2CCC[C@H]21 ZINC000367538614 466401071 /nfs/dbraw/zinc/40/10/71/466401071.db2.gz QXOHPSVLSUJAQU-QHAWAJNXSA-N 1 3 343.515 2.481 10 0 EEAEHO C[N@@H+]1CC[C@H](NCc2ccccc2CN2CCOCC2)[C@H]2CCC[C@H]21 ZINC000367538614 466401077 /nfs/dbraw/zinc/40/10/77/466401077.db2.gz QXOHPSVLSUJAQU-QHAWAJNXSA-N 1 3 343.515 2.481 10 0 EEAEHO C[N@H+]1CC[C@H](NCc2ccccc2CN2CCOCC2)[C@H]2CCC[C@H]21 ZINC000367538614 466401081 /nfs/dbraw/zinc/40/10/81/466401081.db2.gz QXOHPSVLSUJAQU-QHAWAJNXSA-N 1 3 343.515 2.481 10 0 EEAEHO Cc1cc(N2CCC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)n(C)n1 ZINC000423079127 466691113 /nfs/dbraw/zinc/69/11/13/466691113.db2.gz XGZQVLYKXIPXBU-WNRNVDISSA-N 1 3 331.508 2.208 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN3CCC2CC3)C1 ZINC000375110712 466808507 /nfs/dbraw/zinc/80/85/07/466808507.db2.gz APZFOCUBIGOLFN-CALCHBBNSA-N 1 3 336.524 2.234 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN3CCC2CC3)C1 ZINC000375110712 466808513 /nfs/dbraw/zinc/80/85/13/466808513.db2.gz APZFOCUBIGOLFN-CALCHBBNSA-N 1 3 336.524 2.234 10 0 EEAEHO NC[C@@H](NC(=O)COC1CCC([NH3+])CC1)c1ccc2ccccc2c1 ZINC000417834070 466950271 /nfs/dbraw/zinc/95/02/71/466950271.db2.gz SMAPOUNPBIOVKY-CTWPCTMYSA-N 1 3 341.455 2.242 10 0 EEAEHO CN1CCC([NH+]2CCC(NCc3ccc(-c4cc[nH]n4)o3)CC2)CC1 ZINC000373917763 466968062 /nfs/dbraw/zinc/96/80/62/466968062.db2.gz LTUARYLRWYPBBO-UHFFFAOYSA-N 1 3 343.475 2.318 10 0 EEAEHO CN(C)CCN(C(=O)NCCC[NH2+]Cc1cccnc1)C1CCCC1 ZINC000418326694 467093026 /nfs/dbraw/zinc/09/30/26/467093026.db2.gz KXTLFLJWNGOGFZ-UHFFFAOYSA-N 1 3 347.507 2.077 10 0 EEAEHO C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000418333660 467094177 /nfs/dbraw/zinc/09/41/77/467094177.db2.gz FFVKPZCUYIYWPV-WDSOQIARSA-N 1 3 344.503 2.290 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)[C@@H]1c1ccccc1 ZINC000425727671 467127468 /nfs/dbraw/zinc/12/74/68/467127468.db2.gz RKNKIWWBJQOOJY-OKYOBFRVSA-N 1 3 342.487 2.167 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)[C@@H]1c1ccccc1 ZINC000425727671 467127470 /nfs/dbraw/zinc/12/74/70/467127470.db2.gz RKNKIWWBJQOOJY-OKYOBFRVSA-N 1 3 342.487 2.167 10 0 EEAEHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000418660177 467142271 /nfs/dbraw/zinc/14/22/71/467142271.db2.gz YMLKKTLPNJDNJV-ICSRJNTNSA-N 1 3 344.503 2.376 10 0 EEAEHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000418660177 467142273 /nfs/dbraw/zinc/14/22/73/467142273.db2.gz YMLKKTLPNJDNJV-ICSRJNTNSA-N 1 3 344.503 2.376 10 0 EEAEHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCOCCOc3ccccc3)CC2)C1 ZINC000420385795 467389605 /nfs/dbraw/zinc/38/96/05/467389605.db2.gz IBOIMWFEYLUXTJ-QUCCMNQESA-N 1 3 348.487 2.300 10 0 EEAEHO CC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000397569849 467441829 /nfs/dbraw/zinc/44/18/29/467441829.db2.gz XVBPIOYMBJRFPP-RBUKOAKNSA-N 1 3 332.488 2.418 10 0 EEAEHO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCCNC2)c(OC)c1 ZINC000415067244 467480612 /nfs/dbraw/zinc/48/06/12/467480612.db2.gz KGFLUQQWJOFICT-ZIAGYGMSSA-N 1 3 335.448 2.153 10 0 EEAEHO COc1cc(CN2CC[C@H](NC[C@H]([NH3+])CC(C)C)C2)cc(OC)c1 ZINC000415088989 467486978 /nfs/dbraw/zinc/48/69/78/467486978.db2.gz WASTZGNBQDIHTN-SJORKVTESA-N 1 3 335.492 2.241 10 0 EEAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CC2(O)CCN(C)CC2)CC1 ZINC000449166208 467621589 /nfs/dbraw/zinc/62/15/89/467621589.db2.gz ZHEQMKMPFQWGKF-GOSISDBHSA-N 1 3 345.531 2.128 10 0 EEAEHO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000528711727 467735259 /nfs/dbraw/zinc/73/52/59/467735259.db2.gz FPSBGVDIZAMUJC-OAHLLOKOSA-N 1 3 346.475 2.364 10 0 EEAEHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000528711727 467735263 /nfs/dbraw/zinc/73/52/63/467735263.db2.gz FPSBGVDIZAMUJC-OAHLLOKOSA-N 1 3 346.475 2.364 10 0 EEAEHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529286115 467839264 /nfs/dbraw/zinc/83/92/64/467839264.db2.gz XGYBJTCAGSECKC-GDBMZVCRSA-N 1 3 348.516 2.469 10 0 EEAEHO C[C@@H]1CN(C(=O)NC2CC([NH+]3CCCCC3)C2)CCN(C2CC2)C1 ZINC000458751308 467891741 /nfs/dbraw/zinc/89/17/41/467891741.db2.gz UZXSPRFLHIAEDO-HJOIGYKYSA-N 1 3 334.508 2.129 10 0 EEAEHO Fc1ccc(-c2nnc3n2C[C@@H](NC2C[C@H]4CC[C@@H](C2)[NH2+]4)CC3)cc1 ZINC000571633268 468814689 /nfs/dbraw/zinc/81/46/89/468814689.db2.gz ZOJBIJDRRBBBHF-TVXGVJEUSA-N 1 3 341.434 2.272 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc2ccsc2c1 ZINC000617505795 469703160 /nfs/dbraw/zinc/70/31/60/469703160.db2.gz QNCVPIMWCWPSPG-ZDUSSCGKSA-N 1 3 334.489 2.298 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc2ccsc2c1 ZINC000617505795 469703165 /nfs/dbraw/zinc/70/31/65/469703165.db2.gz QNCVPIMWCWPSPG-ZDUSSCGKSA-N 1 3 334.489 2.298 10 0 EEAEHO CCCc1nc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000617505256 469704498 /nfs/dbraw/zinc/70/44/98/469704498.db2.gz ZGGODSWQLSNHRF-ZDUSSCGKSA-N 1 3 340.537 2.406 10 0 EEAEHO CCCc1nc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000617505256 469704501 /nfs/dbraw/zinc/70/45/01/469704501.db2.gz ZGGODSWQLSNHRF-ZDUSSCGKSA-N 1 3 340.537 2.406 10 0 EEAEHO C[C@@H](CNC(=O)NC[C@H]1CCN1C1CCCCC1)C[NH+]1CCCC1 ZINC000623713050 469741234 /nfs/dbraw/zinc/74/12/34/469741234.db2.gz RHQDJXAHYXCJPM-FUHWJXTLSA-N 1 3 336.524 2.425 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000626921828 469754543 /nfs/dbraw/zinc/75/45/43/469754543.db2.gz JRVRNPIGXQFBLB-RRFJBIMHSA-N 1 3 336.505 2.325 10 0 EEAEHO C[NH+](C)CC1(CNC(=O)NC[C@@H]2CCN2C2CCCC2)CCCC1 ZINC000623955402 469804915 /nfs/dbraw/zinc/80/49/15/469804915.db2.gz ZAYQSYRDVXRRMS-KRWDZBQOSA-N 1 3 336.524 2.425 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccncc1 ZINC000630880912 470019417 /nfs/dbraw/zinc/01/94/17/470019417.db2.gz WIYZHZIYZZAZNR-SJLPKXTDSA-N 1 3 332.492 2.060 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccncc1 ZINC000630880912 470019420 /nfs/dbraw/zinc/01/94/20/470019420.db2.gz WIYZHZIYZZAZNR-SJLPKXTDSA-N 1 3 332.492 2.060 10 0 EEAEHO CC(C)[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)C1(CO)CC=CC1 ZINC000646083853 470521309 /nfs/dbraw/zinc/52/13/09/470521309.db2.gz GLXQTUXZKOEOQB-IBGZPJMESA-N 1 3 337.552 2.345 10 0 EEAEHO CCC[NH+]1CCC(CNC(=O)N2CCc3ccccc3[C@@H]2CN)CC1 ZINC000646186645 470558377 /nfs/dbraw/zinc/55/83/77/470558377.db2.gz CXOBNBDEFOKSOX-IBGZPJMESA-N 1 3 344.503 2.376 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000645205345 471174918 /nfs/dbraw/zinc/17/49/18/471174918.db2.gz UWZALQQIGOXAGK-YQQAZPJKSA-N 1 3 334.508 2.033 10 0 EEAEHO C[C@@H]1C[C@@H](NC[C@H]2CN(C)CCN2Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000657801676 471235702 /nfs/dbraw/zinc/23/57/02/471235702.db2.gz VGSQPJBSGQAESN-QFUCXCTJSA-N 1 3 342.531 2.017 10 0 EEAEHO C[C@@H]1C[C@@H](NC[C@H]2CN(C)CCN2Cc2ccccc2)C[N@H+]1C1CC1 ZINC000657801676 471235705 /nfs/dbraw/zinc/23/57/05/471235705.db2.gz VGSQPJBSGQAESN-QFUCXCTJSA-N 1 3 342.531 2.017 10 0 EEAEHO CN(Cc1ccccc1)[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)C1CC1 ZINC000652180289 471251811 /nfs/dbraw/zinc/25/18/11/471251811.db2.gz OWIZKUQOGXISHA-SFHVURJKSA-N 1 3 344.503 2.325 10 0 EEAEHO C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000652185798 471252716 /nfs/dbraw/zinc/25/27/16/471252716.db2.gz UQWZBERUBQNOFQ-KRWDZBQOSA-N 1 3 332.492 2.326 10 0 EEAEHO C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658134755 471269824 /nfs/dbraw/zinc/26/98/24/471269824.db2.gz BTFCVPREAXHJJB-QFBILLFUSA-N 1 3 328.460 2.018 10 0 EEAEHO CCOC[C@@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000663369077 471343748 /nfs/dbraw/zinc/34/37/48/471343748.db2.gz WNUIYKQTRWUOPL-MOPGFXCFSA-N 1 3 332.488 2.276 10 0 EEAEHO CCOC[C@@H](O)CNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000663369077 471343754 /nfs/dbraw/zinc/34/37/54/471343754.db2.gz WNUIYKQTRWUOPL-MOPGFXCFSA-N 1 3 332.488 2.276 10 0 EEAEHO CCOC[C@@H](O)CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000663369077 471343758 /nfs/dbraw/zinc/34/37/58/471343758.db2.gz WNUIYKQTRWUOPL-MOPGFXCFSA-N 1 3 332.488 2.276 10 0 EEAEHO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659035703 471477394 /nfs/dbraw/zinc/47/73/94/471477394.db2.gz MRBCGBZEOSQWGC-MSOLQXFVSA-N 1 3 346.475 2.296 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000669420569 471489542 /nfs/dbraw/zinc/48/95/42/471489542.db2.gz QNHXRKQGXPTBTA-QRQLOZEOSA-N 1 3 344.503 2.196 10 0 EEAEHO CCN(C(=O)NCCN(C)Cc1ccccc1)[C@H]1CC[N@H+](CC)C1 ZINC000663785100 471517701 /nfs/dbraw/zinc/51/77/01/471517701.db2.gz DGHKNIAXGVIADG-SFHVURJKSA-N 1 3 332.492 2.244 10 0 EEAEHO CCN(C(=O)NCCN(C)Cc1ccccc1)[C@H]1CC[N@@H+](CC)C1 ZINC000663785100 471517703 /nfs/dbraw/zinc/51/77/03/471517703.db2.gz DGHKNIAXGVIADG-SFHVURJKSA-N 1 3 332.492 2.244 10 0 EEAEHO CC1(C(=O)N2CC[C@@H](F)[C@H](N)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000659387626 471602783 /nfs/dbraw/zinc/60/27/83/471602783.db2.gz YWEXXJSLNNVVOH-IAGOWNOFSA-N 1 3 333.451 2.186 10 0 EEAEHO CN(C)CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000667117637 471660403 /nfs/dbraw/zinc/66/04/03/471660403.db2.gz ZOGNCCVUEWKWCY-GOSISDBHSA-N 1 3 344.503 2.150 10 0 EEAEHO CN(C)CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000667117637 471660408 /nfs/dbraw/zinc/66/04/08/471660408.db2.gz ZOGNCCVUEWKWCY-GOSISDBHSA-N 1 3 344.503 2.150 10 0 EEAEHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000661781697 471881910 /nfs/dbraw/zinc/88/19/10/471881910.db2.gz GUCLEOCYEUBYMX-VQTJNVASSA-N 1 3 347.551 2.137 10 0 EEAEHO OCCC[N@H+](C[C@H]1CCC2(CNC2)O1)[C@H]1CCCc2ccccc21 ZINC000662256854 472045268 /nfs/dbraw/zinc/04/52/68/472045268.db2.gz LPXGCFQVGDHWAW-MJGOQNOKSA-N 1 3 330.472 2.269 10 0 EEAEHO OCCC[N@@H+](C[C@H]1CCC2(CNC2)O1)[C@H]1CCCc2ccccc21 ZINC000662256854 472045273 /nfs/dbraw/zinc/04/52/73/472045273.db2.gz LPXGCFQVGDHWAW-MJGOQNOKSA-N 1 3 330.472 2.269 10 0 EEAEHO CC(C)C1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665758252 472173446 /nfs/dbraw/zinc/17/34/46/472173446.db2.gz CLWJBSTULCRVCG-INIZCTEOSA-N 1 3 326.529 2.336 10 0 EEAEHO CC(C)C1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665758252 472173451 /nfs/dbraw/zinc/17/34/51/472173451.db2.gz CLWJBSTULCRVCG-INIZCTEOSA-N 1 3 326.529 2.336 10 0 EEAEHO C[C@H]1C[C@@H](NC(=O)C2([NH2+]C3CC3)CCC2)CN1Cc1ccccc1 ZINC000662747714 472233957 /nfs/dbraw/zinc/23/39/57/472233957.db2.gz CITVHRJPXGOZLA-MAUKXSAKSA-N 1 3 327.472 2.440 10 0 EEAEHO CN(C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000673770525 485524988 /nfs/dbraw/zinc/52/49/88/485524988.db2.gz CEFUIPQUFPHRJF-HZPDHXFCSA-N 1 3 338.883 2.336 10 0 EEAEHO CN(C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000673770525 485524998 /nfs/dbraw/zinc/52/49/98/485524998.db2.gz CEFUIPQUFPHRJF-HZPDHXFCSA-N 1 3 338.883 2.336 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCCN2C2CC2)[C@@H](C)C1 ZINC000434359611 485714145 /nfs/dbraw/zinc/71/41/45/485714145.db2.gz XDUBBYPPRMZMAN-JQHSSLGASA-N 1 3 336.524 2.375 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCCN2C2CC2)[C@@H](C)C1 ZINC000434359611 485714151 /nfs/dbraw/zinc/71/41/51/485714151.db2.gz XDUBBYPPRMZMAN-JQHSSLGASA-N 1 3 336.524 2.375 10 0 EEAEHO c1cnc(NCC[NH+]2CCCCC2)c(NCCN2CCCCC2)n1 ZINC000680952348 486096660 /nfs/dbraw/zinc/09/66/60/486096660.db2.gz LMSCRPWBUXQKTN-UHFFFAOYSA-N 1 3 332.496 2.272 10 0 EEAEHO CCN(C(=O)N[C@@H]1CCCN(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000681211800 486174040 /nfs/dbraw/zinc/17/40/40/486174040.db2.gz ZONBITLQEGVYGY-RTBURBONSA-N 1 3 344.503 2.387 10 0 EEAEHO CCN(C(=O)N[C@@H]1CCCN(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681211800 486174043 /nfs/dbraw/zinc/17/40/43/486174043.db2.gz ZONBITLQEGVYGY-RTBURBONSA-N 1 3 344.503 2.387 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[C@@H](O)C2)CC1 ZINC000353209954 534938029 /nfs/dbraw/zinc/93/80/29/534938029.db2.gz VJZYTISXEDGFAK-IEBWSBKVSA-N 1 3 331.504 2.469 10 0 EEAEHO CCN1CCC[C@H]1CNC(=S)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000730731630 577052808 /nfs/dbraw/zinc/05/28/08/577052808.db2.gz IDJUTJWHDBRJOU-XHSDSOJGSA-N 1 3 326.554 2.198 10 0 EEAEHO CCN1CCC[C@H]1CNC(=S)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000730731630 577052809 /nfs/dbraw/zinc/05/28/09/577052809.db2.gz IDJUTJWHDBRJOU-XHSDSOJGSA-N 1 3 326.554 2.198 10 0 EEAEHO Brc1cnn(CCCC[NH2+][C@@H]2CCNC23CCC3)c1 ZINC000925652395 684742975 /nfs/dbraw/zinc/74/29/75/684742975.db2.gz DVGLCMGFLMJGML-CYBMUJFWSA-N 1 3 327.270 2.300 10 0 EEAEHO CS[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C[C@@H]1N(C)C ZINC000897237045 686302799 /nfs/dbraw/zinc/30/27/99/686302799.db2.gz BTDUXLOMANUVBT-XMTFNYHQSA-N 1 3 347.528 2.183 10 0 EEAEHO CS[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C[C@@H]1N(C)C ZINC000897237045 686302804 /nfs/dbraw/zinc/30/28/04/686302804.db2.gz BTDUXLOMANUVBT-XMTFNYHQSA-N 1 3 347.528 2.183 10 0 EEAEHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCCC(F)(F)F)C[C@H]21)N(C)C ZINC001485617124 1191863910 /nfs/dbraw/zinc/86/39/10/1191863910.db2.gz ZRFHMJRWOWUMMF-XQLPTFJDSA-N 1 3 349.441 2.353 10 0 EEAEHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCCC(F)(F)F)C[C@H]21)N(C)C ZINC001485617124 1191863912 /nfs/dbraw/zinc/86/39/12/1191863912.db2.gz ZRFHMJRWOWUMMF-XQLPTFJDSA-N 1 3 349.441 2.353 10 0 EEAEHO COc1ccc(C)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001485707122 1191900001 /nfs/dbraw/zinc/90/00/01/1191900001.db2.gz STRKUSPUCQTCIX-SAABIXHNSA-N 1 3 347.503 2.328 10 0 EEAEHO Cc1ncsc1C[NH2+]CCC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001485739733 1191916835 /nfs/dbraw/zinc/91/68/35/1191916835.db2.gz ZDZZNZPQSXRAOJ-KGLIPLIRSA-N 1 3 338.521 2.168 10 0 EEAEHO Cc1cccc(C)c1OCCC[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001691277960 1177810783 /nfs/dbraw/zinc/81/07/83/1177810783.db2.gz OAZITXYRSCDGPJ-SFHVURJKSA-N 1 3 347.503 2.215 10 0 EEAEHO CN(CCNCc1cccc(F)c1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001691360094 1177967281 /nfs/dbraw/zinc/96/72/81/1177967281.db2.gz OAQNAFFRRPZFOZ-ZWKOTPCHSA-N 1 3 333.451 2.391 10 0 EEAEHO CN(CCNCc1cccc(F)c1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001691360094 1177967288 /nfs/dbraw/zinc/96/72/88/1177967288.db2.gz OAQNAFFRRPZFOZ-ZWKOTPCHSA-N 1 3 333.451 2.391 10 0 EEAEHO CC(C)OCCC[N@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001283332145 1178033554 /nfs/dbraw/zinc/03/35/54/1178033554.db2.gz RAFRPEKTJCOSDD-KRWDZBQOSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)OCCC[N@@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001283332145 1178033564 /nfs/dbraw/zinc/03/35/64/1178033564.db2.gz RAFRPEKTJCOSDD-KRWDZBQOSA-N 1 3 339.524 2.066 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1scnc1C ZINC001268425708 1182593716 /nfs/dbraw/zinc/59/37/16/1182593716.db2.gz HADOLAGNNLQQRB-UKRRQHHQSA-N 1 3 338.521 2.310 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001481984571 1183086932 /nfs/dbraw/zinc/08/69/32/1183086932.db2.gz RCFKSTHXXNJBOI-KGLIPLIRSA-N 1 3 337.430 2.497 10 0 EEAEHO CO[C@H](C)C[NH2+]CC[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001481984924 1183087252 /nfs/dbraw/zinc/08/72/52/1183087252.db2.gz UYFXEUKJMUKLAE-IAGOWNOFSA-N 1 3 341.540 2.218 10 0 EEAEHO CN(CCC[NH2+]CCOC1CCCCCC1)C(=O)[C@@H]1CCCN1C ZINC001268783892 1183701753 /nfs/dbraw/zinc/70/17/53/1183701753.db2.gz OMNZXYLBXBUKQW-SFHVURJKSA-N 1 3 339.524 2.258 10 0 EEAEHO Cc1cnc([C@H](C)[NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C)cn1 ZINC001268848381 1183764862 /nfs/dbraw/zinc/76/48/62/1183764862.db2.gz ZMJLPCXMVCUPHF-INIZCTEOSA-N 1 3 349.523 2.262 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001269323995 1184169387 /nfs/dbraw/zinc/16/93/87/1184169387.db2.gz FSSDOTMOKMRNEB-QZTJIDSGSA-N 1 3 339.524 2.209 10 0 EEAEHO CCOCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001269323995 1184169392 /nfs/dbraw/zinc/16/93/92/1184169392.db2.gz FSSDOTMOKMRNEB-QZTJIDSGSA-N 1 3 339.524 2.209 10 0 EEAEHO CC(C)OCC[NH2+]CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001269870894 1184683156 /nfs/dbraw/zinc/68/31/56/1184683156.db2.gz FPSNXLKZNRUQSY-UHFFFAOYSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2ccccn2)CC1)N(C)C ZINC001269907981 1184709184 /nfs/dbraw/zinc/70/91/84/1184709184.db2.gz IQJHDFDAPJGMPR-SFHVURJKSA-N 1 3 332.492 2.140 10 0 EEAEHO Cc1nsc(C)c1CNC[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001482325920 1185391986 /nfs/dbraw/zinc/39/19/86/1185391986.db2.gz NRPWPKBLCCNOND-LBPRGKRZSA-N 1 3 338.521 2.038 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@H](CNCc1cccnc1)C1CCCCC1 ZINC001482409296 1185636498 /nfs/dbraw/zinc/63/64/98/1185636498.db2.gz KYSQMPKNECMUAL-SFHVURJKSA-N 1 3 332.492 2.188 10 0 EEAEHO Cc1oncc1CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485823999 1193449935 /nfs/dbraw/zinc/44/99/35/1193449935.db2.gz FHCFMVZSJLQBFZ-OWQGQXMQSA-N 1 3 348.491 2.040 10 0 EEAEHO Cc1oncc1CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001485823999 1193449937 /nfs/dbraw/zinc/44/99/37/1193449937.db2.gz FHCFMVZSJLQBFZ-OWQGQXMQSA-N 1 3 348.491 2.040 10 0 EEAEHO Cc1ncsc1CNCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691538206 1187786369 /nfs/dbraw/zinc/78/63/69/1187786369.db2.gz HXSPRXOFUBYZKO-UHFFFAOYSA-N 1 3 338.521 2.120 10 0 EEAEHO CCn1ccc(CNCC[C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)n1 ZINC001482875850 1187795810 /nfs/dbraw/zinc/79/58/10/1187795810.db2.gz BPEUOUVGZRHNRU-IRXDYDNUSA-N 1 3 349.523 2.152 10 0 EEAEHO CCN(CC[NH2+]Cc1ccc(C)c(OC)c1)C(=O)CN1CC[C@H](C)C1 ZINC001482950161 1187890067 /nfs/dbraw/zinc/89/00/67/1187890067.db2.gz HOLNEVPRUUYYCU-INIZCTEOSA-N 1 3 347.503 2.284 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)CN(C)C1CCC1 ZINC001272828562 1193566230 /nfs/dbraw/zinc/56/62/30/1193566230.db2.gz BVIQFOATKCZIKN-HNNXBMFYSA-N 1 3 345.487 2.186 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1cn(C(C)C)nc1C ZINC001483232944 1189643822 /nfs/dbraw/zinc/64/38/22/1189643822.db2.gz KMUGGYGOURLQIG-MAUKXSAKSA-N 1 3 349.523 2.241 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1cn(C(C)C)nc1C ZINC001483232944 1189643823 /nfs/dbraw/zinc/64/38/23/1189643823.db2.gz KMUGGYGOURLQIG-MAUKXSAKSA-N 1 3 349.523 2.241 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCOC1CCC1 ZINC001483441451 1190481930 /nfs/dbraw/zinc/48/19/30/1190481930.db2.gz ADMHSVRFWHUCHC-RDJZCZTQSA-N 1 3 348.491 2.094 10 0 EEAEHO CCc1nocc1CNC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001483562242 1190551723 /nfs/dbraw/zinc/55/17/23/1190551723.db2.gz ZPNJQYAPKAYHKG-QZTJIDSGSA-N 1 3 348.491 2.094 10 0 EEAEHO CCc1nocc1CNC[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001483562242 1190551727 /nfs/dbraw/zinc/55/17/27/1190551727.db2.gz ZPNJQYAPKAYHKG-QZTJIDSGSA-N 1 3 348.491 2.094 10 0 EEAEHO O=C(CN1CCCC1)N1CC[C@@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001272642806 1190949828 /nfs/dbraw/zinc/94/98/28/1190949828.db2.gz XXLQIBOHWLZOQT-MRXNPFEDSA-N 1 3 333.451 2.250 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001483801387 1191042890 /nfs/dbraw/zinc/04/28/90/1191042890.db2.gz IKSHOUDIGZAWDG-FUHWJXTLSA-N 1 3 348.491 2.082 10 0 EEAEHO CCOCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001483801387 1191042894 /nfs/dbraw/zinc/04/28/94/1191042894.db2.gz IKSHOUDIGZAWDG-FUHWJXTLSA-N 1 3 348.491 2.082 10 0 EEAEHO CC(C)OCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C ZINC001483801630 1191043307 /nfs/dbraw/zinc/04/33/07/1191043307.db2.gz KANVMTBPCYIYIV-FBVQUNGASA-N 1 3 337.508 2.007 10 0 EEAEHO CC(C)OCCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001483916531 1191115560 /nfs/dbraw/zinc/11/55/60/1191115560.db2.gz ADVMJMSQFFKPGX-IAGOWNOFSA-N 1 3 327.513 2.111 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1(C)CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001483974737 1191137879 /nfs/dbraw/zinc/13/78/79/1191137879.db2.gz PDXKEYCWPRSSLJ-MRXNPFEDSA-N 1 3 348.491 2.191 10 0 EEAEHO Cc1cccnc1C[NH+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001484581442 1191426172 /nfs/dbraw/zinc/42/61/72/1191426172.db2.gz FYCHZFHELCGKOU-UHFFFAOYSA-N 1 3 344.503 2.155 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001484678294 1191467093 /nfs/dbraw/zinc/46/70/93/1191467093.db2.gz JWSQIEIDYAHZOT-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cncc(C[N@H+]2CCC[C@H](NC(=O)CN(C)C(C)C)CC2)c1 ZINC001484728171 1191487139 /nfs/dbraw/zinc/48/71/39/1191487139.db2.gz KLOKRQONPHDQKO-SFHVURJKSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1cncc(C[N@@H+]2CCC[C@H](NC(=O)CN(C)C(C)C)CC2)c1 ZINC001484728171 1191487140 /nfs/dbraw/zinc/48/71/40/1191487140.db2.gz KLOKRQONPHDQKO-SFHVURJKSA-N 1 3 332.492 2.201 10 0 EEAEHO COCCCCC[N@@H+]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001484728014 1191487432 /nfs/dbraw/zinc/48/74/32/1191487432.db2.gz XPESGAVQOJBLPQ-INIZCTEOSA-N 1 3 336.480 2.048 10 0 EEAEHO COCCCCC[N@H+]1CCC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001484728014 1191487433 /nfs/dbraw/zinc/48/74/33/1191487433.db2.gz XPESGAVQOJBLPQ-INIZCTEOSA-N 1 3 336.480 2.048 10 0 EEAEHO CCC1([NH2+]CC[C@H]2CCCO2)CCN(C(=O)CN2CCCC2)CC1 ZINC001484819055 1191539173 /nfs/dbraw/zinc/53/91/73/1191539173.db2.gz GDMZKLYBGNXUNO-QGZVFWFLSA-N 1 3 337.508 2.012 10 0 EEAEHO Cc1ncsc1C[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001485108327 1191657053 /nfs/dbraw/zinc/65/70/53/1191657053.db2.gz MIZYXEKUVZQPFG-ZBCRRDGASA-N 1 3 338.521 2.022 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(Cl)nc1 ZINC001485206250 1191692874 /nfs/dbraw/zinc/69/28/74/1191692874.db2.gz IIPSJCHKAVOTIG-CHWSQXEVSA-N 1 3 326.872 2.060 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(Cl)nc1 ZINC001485206250 1191692875 /nfs/dbraw/zinc/69/28/75/1191692875.db2.gz IIPSJCHKAVOTIG-CHWSQXEVSA-N 1 3 326.872 2.060 10 0 EEAEHO C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC001486240480 1193766764 /nfs/dbraw/zinc/76/67/64/1193766764.db2.gz LSULAPAQSNHBPK-HUUCEWRRSA-N 1 3 327.488 2.436 10 0 EEAEHO CCOCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001486445801 1193960627 /nfs/dbraw/zinc/96/06/27/1193960627.db2.gz MNSDMQBNSDEBSH-FUHWJXTLSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@H]1CC[C@H](CN2CC=C(CNC(=O)CC[NH+]3CCCCC3)CC2)O1 ZINC001486520546 1194042262 /nfs/dbraw/zinc/04/22/62/1194042262.db2.gz DVHXBFFKZXGMRJ-PKOBYXMFSA-N 1 3 349.519 2.178 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccns1 ZINC001273051332 1194355902 /nfs/dbraw/zinc/35/59/02/1194355902.db2.gz BDNKTWQXUZHANC-HOCLYGCPSA-N 1 3 338.521 2.390 10 0 EEAEHO CSCC[C@H](N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702047242 1195709972 /nfs/dbraw/zinc/70/99/72/1195709972.db2.gz AEMXTLSDTGHBCY-JENIJYKNSA-N 1 3 347.528 2.047 10 0 EEAEHO CSCC[C@H](N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702047242 1195709974 /nfs/dbraw/zinc/70/99/74/1195709974.db2.gz AEMXTLSDTGHBCY-JENIJYKNSA-N 1 3 347.528 2.047 10 0 EEAEHO CN(C)C1(C(=O)N2CCO[C@@H](C[NH2+]CCC3=CCCCC3)C2)CCC1 ZINC001273267816 1197895981 /nfs/dbraw/zinc/89/59/81/1197895981.db2.gz JEZQXOCQSZSMEB-SFHVURJKSA-N 1 3 349.519 2.178 10 0 EEAEHO C[C@H](CN1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1)CS(C)(=O)=O ZINC000872158034 1198065483 /nfs/dbraw/zinc/06/54/83/1198065483.db2.gz SAAUPAQRXXZQEY-HLLBOEOZSA-N 1 3 330.538 2.287 10 0 EEAEHO C[C@H]1C[C@H]([NH2+][C@H]2CCN(CC(C)(C)O)C2)CCN1Cc1ccccc1 ZINC000865660926 1198321858 /nfs/dbraw/zinc/32/18/58/1198321858.db2.gz ZTYCGZCFFHZKRF-SXLOBPIMSA-N 1 3 345.531 2.474 10 0 EEAEHO CC1(C)CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1NC/C=C/Cl ZINC001411027902 1198707512 /nfs/dbraw/zinc/70/75/12/1198707512.db2.gz VQOQAARRYBVPKS-VFADXPBXSA-N 1 3 327.900 2.442 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CC2CC2)C1 ZINC001411230387 1198940722 /nfs/dbraw/zinc/94/07/22/1198940722.db2.gz CLSCUIISIQNNNB-KGLIPLIRSA-N 1 3 335.414 2.107 10 0 EEAEHO COc1cnc(F)c(CNCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000877621338 1199988564 /nfs/dbraw/zinc/98/85/64/1199988564.db2.gz UQGPCSZDMPSZEL-UHFFFAOYSA-N 1 3 337.439 2.210 10 0 EEAEHO CN(C)CC[NH+]1CCC(CN[C@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866259472 1201478251 /nfs/dbraw/zinc/47/82/51/1201478251.db2.gz MXCJBLQWFOBZSW-HKUYNNGSSA-N 1 3 335.467 2.321 10 0 EEAEHO Cc1ccccc1CN1CCO[C@H](CNC2CC[NH+](C3CC3)CC2)C1 ZINC000866508074 1201535890 /nfs/dbraw/zinc/53/58/90/1201535890.db2.gz JLULNVDXRGGTNC-OAQYLSRUSA-N 1 3 343.515 2.412 10 0 EEAEHO Cc1ccc(CN2CCO[C@H](CN[C@@H]3CC[N@H+](C)[C@H](C)C3)C2)cc1 ZINC000866558804 1201548007 /nfs/dbraw/zinc/54/80/07/1201548007.db2.gz VINYROXBWWOYIT-MISYRCLQSA-N 1 3 331.504 2.268 10 0 EEAEHO Cc1ccc(CN2CCO[C@H](CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)cc1 ZINC000866558804 1201548012 /nfs/dbraw/zinc/54/80/12/1201548012.db2.gz VINYROXBWWOYIT-MISYRCLQSA-N 1 3 331.504 2.268 10 0 EEAEHO CCCCOCCN1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001691730466 1204235839 /nfs/dbraw/zinc/23/58/39/1204235839.db2.gz DAWMHTHNMZCHNB-AEFFLSMTSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001274296680 1204988546 /nfs/dbraw/zinc/98/85/46/1204988546.db2.gz FMTFXCCYUKDKET-UKRRQHHQSA-N 1 3 338.883 2.012 10 0 EEAEHO CN1CCN(C[C@H](N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c2ccccc2)CC1 ZINC000925474574 1206116722 /nfs/dbraw/zinc/11/67/22/1206116722.db2.gz CRGPFGBKTNSDSK-AQNXPRMDSA-N 1 3 344.547 2.471 10 0 EEAEHO O[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)COc1ccc(F)cc1 ZINC000925563636 1206128761 /nfs/dbraw/zinc/12/87/61/1206128761.db2.gz OTGNUYCQEJBMDN-QRQLOZEOSA-N 1 3 336.451 2.323 10 0 EEAEHO CC1(C)[C@H]([NH2+]CCCN2C(=O)COc3ccccc32)[C@@H]2CCCN[C@@H]21 ZINC000925575643 1206131084 /nfs/dbraw/zinc/13/10/84/1206131084.db2.gz SJQLZNOPDDWIKY-MDASCCDHSA-N 1 3 343.471 2.168 10 0 EEAEHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000926210030 1206204403 /nfs/dbraw/zinc/20/44/03/1206204403.db2.gz QPAWDZSGCPPXRZ-MZBDJJRSSA-N 1 3 343.393 2.495 10 0 EEAEHO O[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1)C1(O)CCC1 ZINC000929846696 1206508235 /nfs/dbraw/zinc/50/82/35/1206508235.db2.gz JFINVGICXCOGFK-SLFFLAALSA-N 1 3 344.499 2.249 10 0 EEAEHO O[C@H](C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1)C1(O)CCC1 ZINC000929846696 1206508236 /nfs/dbraw/zinc/50/82/36/1206508236.db2.gz JFINVGICXCOGFK-SLFFLAALSA-N 1 3 344.499 2.249 10 0 EEAEHO C[C@H](NCCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccnn1C ZINC000718009694 1211700880 /nfs/dbraw/zinc/70/08/80/1211700880.db2.gz BUMXJCOFVGRIPT-KRWDZBQOSA-N 1 3 342.487 2.488 10 0 EEAEHO C[C@](NC[C@@H]1CC[C@H]([NH3+])C1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000903459047 1240529352 /nfs/dbraw/zinc/52/93/52/1240529352.db2.gz QTCDJRAPCOWKQA-RIEGTJTDSA-N 1 3 329.366 2.123 10 0 EEAEHO C[C@@](NC[C@@H]1CC[C@H]([NH3+])C1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000903459046 1240529453 /nfs/dbraw/zinc/52/94/53/1240529453.db2.gz QTCDJRAPCOWKQA-DGFSRKRXSA-N 1 3 329.366 2.123 10 0 EEAEHO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496343 1240671646 /nfs/dbraw/zinc/67/16/46/1240671646.db2.gz LANLNTLRIMQDMS-QLFBSQMISA-N 1 3 347.459 2.092 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCOC(C)C)C1 ZINC001491108953 1258695885 /nfs/dbraw/zinc/69/58/85/1258695885.db2.gz FKCBXQYKTVPUKO-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCOC(C)C)C1 ZINC001491108953 1258695889 /nfs/dbraw/zinc/69/58/89/1258695889.db2.gz FKCBXQYKTVPUKO-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(Cl)nc2)C1)N(C)C ZINC001277074252 1301160807 /nfs/dbraw/zinc/16/08/07/1301160807.db2.gz BKIHFZYIWNTWAA-KKUMJFAQSA-N 1 3 338.883 2.060 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)cc1 ZINC001278424756 1310206524 /nfs/dbraw/zinc/20/65/24/1310206524.db2.gz VSVCOHHZVAQQTF-MSOLQXFVSA-N 1 3 347.503 2.293 10 0 EEAEHO C[N@@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CCC1CC1 ZINC001265036632 1322878138 /nfs/dbraw/zinc/87/81/38/1322878138.db2.gz HPLCRLOWFZCYMY-SFHVURJKSA-N 1 3 327.488 2.437 10 0 EEAEHO C[N@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CCC1CC1 ZINC001265036632 1322878136 /nfs/dbraw/zinc/87/81/36/1322878136.db2.gz HPLCRLOWFZCYMY-SFHVURJKSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCCC[N@H+](C)Cc2ccc(F)c(F)c2)C1 ZINC001265036319 1322878915 /nfs/dbraw/zinc/87/89/15/1322878915.db2.gz BGBUSPTUHICXRB-AWEZNQCLSA-N 1 3 339.430 2.245 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCCC[N@@H+](C)Cc2ccc(F)c(F)c2)C1 ZINC001265036319 1322878917 /nfs/dbraw/zinc/87/89/17/1322878917.db2.gz BGBUSPTUHICXRB-AWEZNQCLSA-N 1 3 339.430 2.245 10 0 EEAEHO CC(C)OCC[NH2+]C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001265623609 1323274233 /nfs/dbraw/zinc/27/42/33/1323274233.db2.gz AFYFBJRTGDRVBM-QGZVFWFLSA-N 1 3 341.540 2.218 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cc(C)ccc1F ZINC001266109514 1323676723 /nfs/dbraw/zinc/67/67/23/1323676723.db2.gz ZMHGHFWYLJVRHH-INIZCTEOSA-N 1 3 335.467 2.414 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cc(C)ccc1F ZINC001266109514 1323676725 /nfs/dbraw/zinc/67/67/25/1323676725.db2.gz ZMHGHFWYLJVRHH-INIZCTEOSA-N 1 3 335.467 2.414 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC[C@H](C)O)CCC1 ZINC001280521910 1324273345 /nfs/dbraw/zinc/27/33/45/1324273345.db2.gz FTXPUQLCROMYGA-DLBZAZTESA-N 1 3 339.524 2.039 10 0 EEAEHO CCOCC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001491965212 1330360471 /nfs/dbraw/zinc/36/04/71/1330360471.db2.gz HSKHPEPDZNBTFU-IBGZPJMESA-N 1 3 347.503 2.321 10 0 EEAEHO CCOCC[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001491965212 1330360477 /nfs/dbraw/zinc/36/04/77/1330360477.db2.gz HSKHPEPDZNBTFU-IBGZPJMESA-N 1 3 347.503 2.321 10 0 EEAEHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[N@@H+]1C[C@H]1CCCCO1 ZINC001492177504 1331056521 /nfs/dbraw/zinc/05/65/21/1331056521.db2.gz HDZIFEYZYFAOGS-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[N@H+]1C[C@H]1CCCCO1 ZINC001492177504 1331056527 /nfs/dbraw/zinc/05/65/27/1331056527.db2.gz HDZIFEYZYFAOGS-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO CN(CC(=O)N1CC[C@H]([NH2+]CCOc2ccccc2)C1)CC(C)(C)C ZINC001317064246 1332066336 /nfs/dbraw/zinc/06/63/36/1332066336.db2.gz IAZVACSDMMEHFK-KRWDZBQOSA-N 1 3 347.503 2.234 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCOc1ccccc1 ZINC001317199686 1332127864 /nfs/dbraw/zinc/12/78/64/1332127864.db2.gz MRMWLQUZKMDEPW-GOSISDBHSA-N 1 3 347.503 2.376 10 0 EEAEHO CC[C@H](F)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001317584350 1332308965 /nfs/dbraw/zinc/30/89/65/1332308965.db2.gz DLMFASOQHYPCPO-CVEARBPZSA-N 1 3 327.488 2.437 10 0 EEAEHO CC[C@H](F)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001317584350 1332308968 /nfs/dbraw/zinc/30/89/68/1332308968.db2.gz DLMFASOQHYPCPO-CVEARBPZSA-N 1 3 327.488 2.437 10 0 EEAEHO CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCN(CCOCC)C1 ZINC001317762873 1332401002 /nfs/dbraw/zinc/40/10/02/1332401002.db2.gz DHIHPJCPMYFVFK-OKZBNKHCSA-N 1 3 339.524 2.066 10 0 EEAEHO CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCN(CCOCC)C1 ZINC001317762873 1332401004 /nfs/dbraw/zinc/40/10/04/1332401004.db2.gz DHIHPJCPMYFVFK-OKZBNKHCSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1csc(CNCC[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001318830417 1332606373 /nfs/dbraw/zinc/60/63/73/1332606373.db2.gz FMPCYUNXRHAFDF-HNNXBMFYSA-N 1 3 338.521 2.122 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[C@@H]2C[NH2+]CCCF)C1 ZINC001319111272 1332650811 /nfs/dbraw/zinc/65/08/11/1332650811.db2.gz FILJAJPLIGOXAB-PBHICJAKSA-N 1 3 331.451 2.139 10 0 EEAEHO C[C@H](CCNCc1nccs1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001320414267 1332877844 /nfs/dbraw/zinc/87/78/44/1332877844.db2.gz DCOQGUANUJSFCB-CQSZACIVSA-N 1 3 338.521 2.392 10 0 EEAEHO CCN(CC[NH2+]C[C@@H]1CCCOC1)C(=O)[C@H]1CCCCN1C(C)C ZINC001320861983 1332966860 /nfs/dbraw/zinc/96/68/60/1332966860.db2.gz DVAHVTDVAAJSPO-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO C[NH+]1CCC(CC(=O)NC/C=C\CNCc2ccc(F)cc2)CC1 ZINC001321280467 1333062703 /nfs/dbraw/zinc/06/27/03/1333062703.db2.gz MRWOVPAVDVTYCP-IHWYPQMZSA-N 1 3 333.451 2.320 10 0 EEAEHO COc1cccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)c1C ZINC001322441430 1333264184 /nfs/dbraw/zinc/26/41/84/1333264184.db2.gz BPMKUFBVAASTFM-QGZVFWFLSA-N 1 3 333.476 2.036 10 0 EEAEHO O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[C@H]1CNCCF ZINC001324213751 1333636473 /nfs/dbraw/zinc/63/64/73/1333636473.db2.gz RFRNBCJFAHJYAF-DLBZAZTESA-N 1 3 325.472 2.334 10 0 EEAEHO O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC[C@H]1CNCCF ZINC001324213751 1333636475 /nfs/dbraw/zinc/63/64/75/1333636475.db2.gz RFRNBCJFAHJYAF-DLBZAZTESA-N 1 3 325.472 2.334 10 0 EEAEHO CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CCCC2CCCC2)C1)N(C)C ZINC001326988883 1334197618 /nfs/dbraw/zinc/19/76/18/1334197618.db2.gz FAWQOTRBWNYXNF-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO COCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001329255536 1334615563 /nfs/dbraw/zinc/61/55/63/1334615563.db2.gz FYLAENAJLLJTMA-ABHNRTSZSA-N 1 3 339.524 2.255 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001668214846 1355900601 /nfs/dbraw/zinc/90/06/01/1355900601.db2.gz QLMRPBLVITYKIM-KBPBESRZSA-N 1 3 339.430 2.291 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC/C=C\C[NH2+]CCc1ccc(C)cc1 ZINC001669162506 1356112883 /nfs/dbraw/zinc/11/28/83/1356112883.db2.gz PMWZUDKNBPWQOQ-ARJAWSKDSA-N 1 3 326.444 2.074 10 0 EEAEHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(Cl)nc1)C1CC1)N(C)C ZINC001566724223 1342613951 /nfs/dbraw/zinc/61/39/51/1342613951.db2.gz DYEBWJRHINULCF-GJZGRUSLSA-N 1 3 338.883 2.060 10 0 EEAEHO COCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001566962783 1342666770 /nfs/dbraw/zinc/66/67/70/1342666770.db2.gz LUNDPFOMQMJWLF-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001566962783 1342666775 /nfs/dbraw/zinc/66/67/75/1342666775.db2.gz LUNDPFOMQMJWLF-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001676423337 1357148859 /nfs/dbraw/zinc/14/88/59/1357148859.db2.gz DIDQQBPWFKNEGV-MAUKXSAKSA-N 1 3 345.503 2.062 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@H+](C)C[C@H]1CCCOC1 ZINC001660322996 1354440363 /nfs/dbraw/zinc/44/03/63/1354440363.db2.gz YZMLOXLUYVIVTH-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@@H+](C)C[C@H]1CCCOC1 ZINC001660322996 1354440364 /nfs/dbraw/zinc/44/03/64/1354440364.db2.gz YZMLOXLUYVIVTH-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ccc(CNCCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)c(C)n1 ZINC001663928016 1355055001 /nfs/dbraw/zinc/05/50/01/1355055001.db2.gz OTSMBMIEHXEIHN-SFHVURJKSA-N 1 3 332.492 2.119 10 0 EEAEHO Cc1ccc(CNCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(C)n1 ZINC001663928016 1355055006 /nfs/dbraw/zinc/05/50/06/1355055006.db2.gz OTSMBMIEHXEIHN-SFHVURJKSA-N 1 3 332.492 2.119 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc2c(c1)COC2 ZINC001664395510 1355154333 /nfs/dbraw/zinc/15/43/33/1355154333.db2.gz SKIZTOJAEADLDO-LJQANCHMSA-N 1 3 345.487 2.139 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]Cc2ccc(F)cn2)C1 ZINC001666134907 1355462590 /nfs/dbraw/zinc/46/25/90/1355462590.db2.gz IJYSSXTZNQNMAT-CRAIPNDOSA-N 1 3 348.466 2.033 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001668201897 1355898397 /nfs/dbraw/zinc/89/83/97/1355898397.db2.gz AQVJWXIKJHRVER-CZUORRHYSA-N 1 3 340.899 2.306 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1CCOCC1 ZINC001668326569 1355924041 /nfs/dbraw/zinc/92/40/41/1355924041.db2.gz SBSYESBLAXGKGO-WMZOPIPTSA-N 1 3 339.524 2.162 10 0 EEAEHO Cc1ccc(F)cc1CNC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668833443 1356015439 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CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001673929266 1356761747 /nfs/dbraw/zinc/76/17/47/1356761747.db2.gz QWNHCVBLSMWLPV-KGLIPLIRSA-N 1 3 337.430 2.496 10 0 EEAEHO Cc1ncc(CNCC[C@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001698919654 1405161520 /nfs/dbraw/zinc/16/15/20/1405161520.db2.gz DMRQVEWKQSACPQ-DLBZAZTESA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncc(CNCC[C@H]2CCCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)o1 ZINC001698919654 1405161521 /nfs/dbraw/zinc/16/15/21/1405161521.db2.gz DMRQVEWKQSACPQ-DLBZAZTESA-N 1 3 348.491 2.186 10 0 EEAEHO FC(F)(F)[C@@H]1CCC[C@H](CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)O1 ZINC000925835370 779064293 /nfs/dbraw/zinc/06/42/93/779064293.db2.gz SHWVXTLYGDCVHG-RYPNDVFKSA-N 1 3 336.398 2.233 10 0 EEAEHO CSc1ccc([C@H](CNC(=O)C23CC[NH+](CC2)C3)N(C)C)cc1 ZINC000908456481 785446126 /nfs/dbraw/zinc/44/61/26/785446126.db2.gz DRWWJJYMBTYPEX-INIZCTEOSA-N 1 3 333.501 2.223 10 0 EEAEHO C[NH+](C)[C@@H]1C[C@@H](NC(=O)CC2(N3CCOCC3)CCCC2)C12CCC2 ZINC000912603162 788261709 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341.540 2.360 10 0 EEAEHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001436904830 1088562091 /nfs/dbraw/zinc/56/20/91/1088562091.db2.gz VQVNFGLWRRBIQO-QAQDUYKDSA-N 1 3 348.491 2.374 10 0 EEAEHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001436904830 1088562106 /nfs/dbraw/zinc/56/21/06/1088562106.db2.gz VQVNFGLWRRBIQO-QAQDUYKDSA-N 1 3 348.491 2.374 10 0 EEAEHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCc2c1cc(F)cc2F ZINC001437233765 1089329459 /nfs/dbraw/zinc/32/94/59/1089329459.db2.gz GGFAQKZNDWQAJY-SJKOYZFVSA-N 1 3 349.425 2.142 10 0 EEAEHO CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CCc1ccccc1Cl ZINC001437542777 1089996380 /nfs/dbraw/zinc/99/63/80/1089996380.db2.gz VAQIIPFSVPAQQH-HNNXBMFYSA-N 1 3 337.895 2.272 10 0 EEAEHO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CCc1ccccc1Cl ZINC001437542777 1089996386 /nfs/dbraw/zinc/99/63/86/1089996386.db2.gz VAQIIPFSVPAQQH-HNNXBMFYSA-N 1 3 337.895 2.272 10 0 EEAEHO Cc1cc(C)cc(OCCN(C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001437542856 1089997974 /nfs/dbraw/zinc/99/79/74/1089997974.db2.gz WARZKQMRMCMMAP-GOSISDBHSA-N 1 3 347.503 2.072 10 0 EEAEHO Cc1cc(C)cc(OCCN(C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001437542856 1089997982 /nfs/dbraw/zinc/99/79/82/1089997982.db2.gz WARZKQMRMCMMAP-GOSISDBHSA-N 1 3 347.503 2.072 10 0 EEAEHO Cc1ccc(CC[N@H+]2CC[C@H](CNC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001437723250 1090276299 /nfs/dbraw/zinc/27/62/99/1090276299.db2.gz DPJJKZQRTPLYTA-AZUAARDMSA-N 1 3 343.515 2.317 10 0 EEAEHO Cc1ccc(CC[N@@H+]2CC[C@H](CNC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001437723250 1090276304 /nfs/dbraw/zinc/27/63/04/1090276304.db2.gz DPJJKZQRTPLYTA-AZUAARDMSA-N 1 3 343.515 2.317 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN(Cc3ccc(F)cc3)C2)C1 ZINC001437739925 1090301858 /nfs/dbraw/zinc/30/18/58/1090301858.db2.gz WSQPLJLOMNXETC-SJORKVTESA-N 1 3 333.451 2.106 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN(Cc3ccc(F)cc3)C2)C1 ZINC001437739925 1090301863 /nfs/dbraw/zinc/30/18/63/1090301863.db2.gz WSQPLJLOMNXETC-SJORKVTESA-N 1 3 333.451 2.106 10 0 EEAEHO CC(C)[C@H](C(=O)NCC[C@H]1CCN(Cc2cncs2)C1)[NH+](C)C ZINC001437939478 1090532737 /nfs/dbraw/zinc/53/27/37/1090532737.db2.gz KVTOZBSBGSZEBD-GOEBONIOSA-N 1 3 338.521 2.058 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCOC(C)C)C1 ZINC001437986718 1090579914 /nfs/dbraw/zinc/57/99/14/1090579914.db2.gz HPXPKUJMHYAFKM-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCOC(C)C)C1 ZINC001437986718 1090579918 /nfs/dbraw/zinc/57/99/18/1090579918.db2.gz HPXPKUJMHYAFKM-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1sccc1Cl ZINC001438373778 1090853585 /nfs/dbraw/zinc/85/35/85/1090853585.db2.gz UWTSFHSUPMUTBW-RYUDHWBXSA-N 1 3 329.897 2.338 10 0 EEAEHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1sccc1Cl ZINC001438373778 1090853591 /nfs/dbraw/zinc/85/35/91/1090853591.db2.gz UWTSFHSUPMUTBW-RYUDHWBXSA-N 1 3 329.897 2.338 10 0 EEAEHO C[C@H](C[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)CN(C)CC(C)(C)C ZINC001439154009 1091796792 /nfs/dbraw/zinc/79/67/92/1091796792.db2.gz MWTVNRZCTBQGBI-KGLIPLIRSA-N 1 3 333.467 2.494 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001439536416 1092395837 /nfs/dbraw/zinc/39/58/37/1092395837.db2.gz IODPGJBMWBIMRN-CVEARBPZSA-N 1 3 327.488 2.293 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001439536416 1092395853 /nfs/dbraw/zinc/39/58/53/1092395853.db2.gz IODPGJBMWBIMRN-CVEARBPZSA-N 1 3 327.488 2.293 10 0 EEAEHO CC(C)OCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001440197187 1093267649 /nfs/dbraw/zinc/26/76/49/1093267649.db2.gz WTWDIXIKDIIQDE-KSZLIROESA-N 1 3 339.524 2.063 10 0 EEAEHO CC(C)OCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001440197187 1093267651 /nfs/dbraw/zinc/26/76/51/1093267651.db2.gz WTWDIXIKDIIQDE-KSZLIROESA-N 1 3 339.524 2.063 10 0 EEAEHO C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(Cc4ccsc4)C[C@H]3C2)CC1 ZINC001440451093 1093664320 /nfs/dbraw/zinc/66/43/20/1093664320.db2.gz OISRPXHPNATGJC-SJORKVTESA-N 1 3 347.528 2.370 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)NCc2ncccc2C)C1 ZINC001448712250 1093782822 /nfs/dbraw/zinc/78/28/22/1093782822.db2.gz UUZBHTYMJHBOIZ-ROUUACIJSA-N 1 3 346.519 2.449 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)NCc2ncccc2C)C1 ZINC001448712250 1093782830 /nfs/dbraw/zinc/78/28/30/1093782830.db2.gz UUZBHTYMJHBOIZ-ROUUACIJSA-N 1 3 346.519 2.449 10 0 EEAEHO C[C@@H](CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCC1CC1 ZINC001448733075 1093804809 /nfs/dbraw/zinc/80/48/09/1093804809.db2.gz ZRWYJJJSBYXEOL-KBXCAEBGSA-N 1 3 327.488 2.436 10 0 EEAEHO COc1cc(C[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C)ccc1C ZINC001448774495 1093852849 /nfs/dbraw/zinc/85/28/49/1093852849.db2.gz JSHGLJJENBVKBA-MRXNPFEDSA-N 1 3 335.492 2.280 10 0 EEAEHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]Cc2ccc(F)cc2F)C1 ZINC001440764615 1094004421 /nfs/dbraw/zinc/00/44/21/1094004421.db2.gz WPGBOSZGRWUHJA-UHFFFAOYSA-N 1 3 339.430 2.289 10 0 EEAEHO 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Cn1nccc1CN[C@H]1CCCCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001479694098 1098760757 /nfs/dbraw/zinc/76/07/57/1098760757.db2.gz LGSVDYVXGFNPDY-KRWDZBQOSA-N 1 3 349.523 2.013 10 0 EEAEHO CCCN(C)CC(=O)N(C)C1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001479894972 1099273537 /nfs/dbraw/zinc/27/35/37/1099273537.db2.gz AJCGLRDDFFFSHP-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1ncccc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001480087762 1099644982 /nfs/dbraw/zinc/64/49/82/1099644982.db2.gz QIZHAXINYRQZTG-SFHVURJKSA-N 1 3 346.519 2.401 10 0 EEAEHO Cc1ncccc1C[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001480087762 1099644985 /nfs/dbraw/zinc/64/49/85/1099644985.db2.gz QIZHAXINYRQZTG-SFHVURJKSA-N 1 3 346.519 2.401 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]C[C@H]1CCOC1)C1CCCCC1 ZINC001444785336 1099693831 /nfs/dbraw/zinc/69/38/31/1099693831.db2.gz KMRKTPHPMGKOGR-SJLPKXTDSA-N 1 3 339.524 2.018 10 0 EEAEHO COc1cccc([C@H](C)N(C)CCN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001445026072 1100188324 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2.446 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001506001431 1114333220 /nfs/dbraw/zinc/33/32/20/1114333220.db2.gz ALVRDKQXJMPXGN-CVEARBPZSA-N 1 3 342.487 2.446 10 0 EEAEHO C[C@H]1C[C@H](NCc2cncs2)CN1C(=O)CCC[NH+]1CCCC1 ZINC001507341940 1115205118 /nfs/dbraw/zinc/20/51/18/1115205118.db2.gz SZOHGIFTPCUBPE-GJZGRUSLSA-N 1 3 336.505 2.098 10 0 EEAEHO CC1CCN(CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCCF)[C@H]3C2)CC1 ZINC001507363892 1115224166 /nfs/dbraw/zinc/22/41/66/1115224166.db2.gz NJBMYNMRNGHVBD-BZSNNMDCSA-N 1 3 339.499 2.295 10 0 EEAEHO CC[C@H](F)CN[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001507440035 1115269903 /nfs/dbraw/zinc/26/99/03/1115269903.db2.gz NGTADBSJKQDABE-HOTGVXAUSA-N 1 3 339.499 2.437 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C)nc2C)C(C)(C)C1 ZINC001507451320 1115276887 /nfs/dbraw/zinc/27/68/87/1115276887.db2.gz OZKZGFKRFMJLHN-SFHVURJKSA-N 1 3 346.519 2.367 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCC(C)(C)C ZINC001507629130 1115312456 /nfs/dbraw/zinc/31/24/56/1115312456.db2.gz WXHJYKYMXYELTQ-DLBZAZTESA-N 1 3 341.540 2.047 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCC(C)(C)C ZINC001507629130 1115312458 /nfs/dbraw/zinc/31/24/58/1115312458.db2.gz WXHJYKYMXYELTQ-DLBZAZTESA-N 1 3 341.540 2.047 10 0 EEAEHO CN(CC(=O)N[C@@H](C[NH2+]C[C@@H]1CCOC1)C(C)(C)C)CC(C)(C)C ZINC001508023736 1115390782 /nfs/dbraw/zinc/39/07/82/1115390782.db2.gz PSBRLTGVWDARLT-HOTGVXAUSA-N 1 3 341.540 2.121 10 0 EEAEHO CN(CC(=O)N[C@H](C[NH2+]C[C@@H]1CCOC1)C(C)(C)C)CC(C)(C)C ZINC001508023744 1115391192 /nfs/dbraw/zinc/39/11/92/1115391192.db2.gz PSBRLTGVWDARLT-JKSUJKDBSA-N 1 3 341.540 2.121 10 0 EEAEHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)C3(N(C)C)CCC3)C2)c(C)n1 ZINC001508113603 1115422247 /nfs/dbraw/zinc/42/22/47/1115422247.db2.gz RCMABKCVEGYRMJ-UHFFFAOYSA-N 1 3 344.503 2.262 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCC2=CC[N@H+](CC[C@H]3CCCCO3)CC2)C1 ZINC001508220716 1115449642 /nfs/dbraw/zinc/44/96/42/1115449642.db2.gz VTUQPOXXBNMXMC-IEBWSBKVSA-N 1 3 349.519 2.036 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCC2=CC[N@@H+](CC[C@H]3CCCCO3)CC2)C1 ZINC001508220716 1115449645 /nfs/dbraw/zinc/44/96/45/1115449645.db2.gz VTUQPOXXBNMXMC-IEBWSBKVSA-N 1 3 349.519 2.036 10 0 EEAEHO CN(CC(=O)NC1(C[NH2+]CCC(F)(F)F)CCCC1)C1CCC1 ZINC001568000775 1124224246 /nfs/dbraw/zinc/22/42/46/1124224246.db2.gz FSCFRWWEYZLTIC-UHFFFAOYSA-N 1 3 335.414 2.442 10 0 EEAEHO CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2cccnc2)CC1)N(C)C ZINC001568093723 1124296819 /nfs/dbraw/zinc/29/68/19/1124296819.db2.gz AQCUJYATJIXUCL-SFHVURJKSA-N 1 3 332.492 2.140 10 0 EEAEHO C[C@H](C[NH2+]CCc1c(F)cccc1F)N(C)C(=O)[C@H]1CCCN1C ZINC001568291793 1124408307 /nfs/dbraw/zinc/40/83/07/1124408307.db2.gz QJPUKNXTTQGHAA-CXAGYDPISA-N 1 3 339.430 2.038 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]CCc1ccc(F)c(F)c1 ZINC001568321037 1124418804 /nfs/dbraw/zinc/41/88/04/1124418804.db2.gz SYRPSOFNJSAJPI-AWEZNQCLSA-N 1 3 341.446 2.284 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCCC1CCOCC1 ZINC001568992220 1125026298 /nfs/dbraw/zinc/02/62/98/1125026298.db2.gz UJHXGUDCECYQBW-AEFFLSMTSA-N 1 3 339.524 2.160 10 0 EEAEHO Cc1ncoc1CNCCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001569209353 1125166175 /nfs/dbraw/zinc/16/61/75/1125166175.db2.gz BNXFTSFAYVRZQL-QGZVFWFLSA-N 1 3 348.491 2.328 10 0 EEAEHO Cc1ncoc1CNCCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001569209353 1125166179 /nfs/dbraw/zinc/16/61/79/1125166179.db2.gz BNXFTSFAYVRZQL-QGZVFWFLSA-N 1 3 348.491 2.328 10 0 EEAEHO CN([C@@H](C[NH3+])c1cccc(Br)c1)[C@@H]1CCCN(C)C1 ZINC000053205517 214170446 /nfs/dbraw/zinc/17/04/46/214170446.db2.gz PXQHPVKSGMGHTB-CABCVRRESA-N 1 3 326.282 2.475 10 0 EEAEHO C/C(=C\c1ccco1)CN1CC[C@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000067908054 215247661 /nfs/dbraw/zinc/24/76/61/215247661.db2.gz REWGVZBPXJZZDK-RBFDBLARSA-N 1 3 331.460 2.393 10 0 EEAEHO C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2OCCN(C)C)CC[N@@H+]1C ZINC000266003576 248019185 /nfs/dbraw/zinc/01/91/85/248019185.db2.gz QGACEYHEFUHAQA-HOTGVXAUSA-N 1 3 333.476 2.182 10 0 EEAEHO C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2OCCN(C)C)CC[N@H+]1C ZINC000266003576 248019188 /nfs/dbraw/zinc/01/91/88/248019188.db2.gz QGACEYHEFUHAQA-HOTGVXAUSA-N 1 3 333.476 2.182 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCC[C@H]1OC ZINC000339655151 285246731 /nfs/dbraw/zinc/24/67/31/285246731.db2.gz KBYFUAYFEPRKSC-KZNAEPCWSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCC[C@H]1OC ZINC000339655151 285246733 /nfs/dbraw/zinc/24/67/33/285246733.db2.gz KBYFUAYFEPRKSC-KZNAEPCWSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)C(C)C ZINC000465975774 285277826 /nfs/dbraw/zinc/27/78/26/285277826.db2.gz BZJGXHURXJVJOA-IRXDYDNUSA-N 1 3 326.529 2.336 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)C(C)C ZINC000465975774 285277829 /nfs/dbraw/zinc/27/78/29/285277829.db2.gz BZJGXHURXJVJOA-IRXDYDNUSA-N 1 3 326.529 2.336 10 0 EEAEHO C[NH+]1CCC(CNCc2cn(C(C)(C)C)nn2)(N2CCCCC2)CC1 ZINC000191216508 152243622 /nfs/dbraw/zinc/24/36/22/152243622.db2.gz MZVZXMXWMZZVSF-UHFFFAOYSA-N 1 3 348.539 2.073 10 0 EEAEHO CN1CCC(CNCc2cn(C(C)(C)C)nn2)([NH+]2CCCCC2)CC1 ZINC000191216508 152243629 /nfs/dbraw/zinc/24/36/29/152243629.db2.gz MZVZXMXWMZZVSF-UHFFFAOYSA-N 1 3 348.539 2.073 10 0 EEAEHO COc1ccc([C@@H](C[NH3+])N2CCCN(C)CC2)cc1Br ZINC000216528557 286357074 /nfs/dbraw/zinc/35/70/74/286357074.db2.gz VPOTXYOWNRHRRR-CQSZACIVSA-N 1 3 342.281 2.095 10 0 EEAEHO CC(C)C[C@H]([NH2+][C@H](C)Cc1ccc(O)cc1)C(=O)NCCN(C)C ZINC000352728296 162262241 /nfs/dbraw/zinc/26/22/41/162262241.db2.gz YCBOHPKOFZAJQM-QAPCUYQASA-N 1 3 335.492 2.005 10 0 EEAEHO CN1CC[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000272679787 269007642 /nfs/dbraw/zinc/00/76/42/269007642.db2.gz RXEZRNYTINYAMK-ROUUACIJSA-N 1 3 344.503 2.463 10 0 EEAEHO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000290425134 275206196 /nfs/dbraw/zinc/20/61/96/275206196.db2.gz OYAKJNIHRVNSFO-GOSISDBHSA-N 1 3 339.455 2.382 10 0 EEAEHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc4c(c3F)CCNC4)C2)C1 ZINC000415968955 277071287 /nfs/dbraw/zinc/07/12/87/277071287.db2.gz GDWSRJHIYDEWAQ-LJQANCHMSA-N 1 3 346.450 2.421 10 0 EEAEHO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc4c(c3F)CCNC4)C2)C1 ZINC000415968955 277071288 /nfs/dbraw/zinc/07/12/88/277071288.db2.gz GDWSRJHIYDEWAQ-LJQANCHMSA-N 1 3 346.450 2.421 10 0 EEAEHO CC1(C)CCCN(CCNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000355338907 278214768 /nfs/dbraw/zinc/21/47/68/278214768.db2.gz HKPZXXMIBGAHRO-UHFFFAOYSA-N 1 3 336.524 2.425 10 0 EEAEHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1(N)CCOCC1 ZINC000261767974 290393456 /nfs/dbraw/zinc/39/34/56/290393456.db2.gz GLHRAHJDECUDAT-INIZCTEOSA-N 1 3 345.487 2.185 10 0 EEAEHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(N)CCOCC1 ZINC000261767974 290393460 /nfs/dbraw/zinc/39/34/60/290393460.db2.gz GLHRAHJDECUDAT-INIZCTEOSA-N 1 3 345.487 2.185 10 0 EEAEHO COc1ccccc1[C@@H](O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298481864 294508938 /nfs/dbraw/zinc/50/89/38/294508938.db2.gz PMUKTNPUPINYCY-SFHVURJKSA-N 1 3 327.428 2.382 10 0 EEAEHO CN(C)[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000416800643 313319819 /nfs/dbraw/zinc/31/98/19/313319819.db2.gz FQEWYWPNODKJOY-QZTJIDSGSA-N 1 3 326.444 2.289 10 0 EEAEHO CC(C)[C@H](CNC(=O)N[C@@H]1CNCCC1(F)F)[NH+]1CCC(C)CC1 ZINC000417002298 313389772 /nfs/dbraw/zinc/38/97/72/313389772.db2.gz GBQNDTIFXSBOEV-LSDHHAIUSA-N 1 3 346.466 2.039 10 0 EEAEHO [NH3+][C@H](CNC(=O)N1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000418434544 313813059 /nfs/dbraw/zinc/81/30/59/313813059.db2.gz VVHWGCRQMIFCQM-GOSISDBHSA-N 1 3 330.476 2.346 10 0 EEAEHO O=C(NCc1ccc2c(c1)CNC2)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418599285 313856534 /nfs/dbraw/zinc/85/65/34/313856534.db2.gz ZKJPRAFRBGUCSH-LJQANCHMSA-N 1 3 342.487 2.450 10 0 EEAEHO C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000527826788 317271403 /nfs/dbraw/zinc/27/14/03/317271403.db2.gz NREIHBQKLNSVJI-LEOMRAHMSA-N 1 3 336.524 2.423 10 0 EEAEHO CN(CCC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccncc1 ZINC000540929027 318084666 /nfs/dbraw/zinc/08/46/66/318084666.db2.gz RCBMVNINOQHKSW-UHFFFAOYSA-N 1 3 330.476 2.385 10 0 EEAEHO CN(CCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)c1cc[nH+]cc1 ZINC000541856496 318112328 /nfs/dbraw/zinc/11/23/28/318112328.db2.gz LVPIEGPCPLLDDX-QUCCMNQESA-N 1 3 338.455 2.470 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CCC[NH+](C)C)C1 ZINC000543641099 318164939 /nfs/dbraw/zinc/16/49/39/318164939.db2.gz YCFLOCGGVSEEJW-SJLPKXTDSA-N 1 3 332.492 2.415 10 0 EEAEHO CN1CC[C@H](NC(=O)NCC2([NH3+])CCCCC2)[C@H]1c1ccccc1 ZINC000578306560 320305985 /nfs/dbraw/zinc/30/59/85/320305985.db2.gz UTGIIRAQNPQYLH-DLBZAZTESA-N 1 3 330.476 2.393 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1ccsc1 ZINC000337453827 465378515 /nfs/dbraw/zinc/37/85/15/465378515.db2.gz JDCHOTWRISPPTO-HNNXBMFYSA-N 1 3 339.505 2.001 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1ccsc1 ZINC000337453827 465378517 /nfs/dbraw/zinc/37/85/17/465378517.db2.gz JDCHOTWRISPPTO-HNNXBMFYSA-N 1 3 339.505 2.001 10 0 EEAEHO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H](N(C)C)C3)CC2)CC1 ZINC000152704917 462571961 /nfs/dbraw/zinc/57/19/61/462571961.db2.gz UWHVWQRVQMLKLX-ABHNRTSZSA-N 1 3 336.524 2.375 10 0 EEAEHO CN1CCN(c2cccc(Cl)c2CNCCC[NH+]2CCC2)CC1 ZINC000521370464 468306778 /nfs/dbraw/zinc/30/67/78/468306778.db2.gz USLIZANJIFOHHD-UHFFFAOYSA-N 1 3 336.911 2.277 10 0 EEAEHO OCCNCCC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000013732917 462903009 /nfs/dbraw/zinc/90/30/09/462903009.db2.gz HEVMHGSRJYECNI-UHFFFAOYSA-N 1 3 332.419 2.466 10 0 EEAEHO CCc1nn(C)c(CC)c1CN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121156420 463088956 /nfs/dbraw/zinc/08/89/56/463088956.db2.gz WYZYBUDHWYXHJM-HNNXBMFYSA-N 1 3 336.524 2.070 10 0 EEAEHO CCCN1CCN(c2ccccc2CN2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000261709889 463835352 /nfs/dbraw/zinc/83/53/52/463835352.db2.gz IRLAFPTUSWOVAR-FQEVSTJZSA-N 1 3 330.520 2.389 10 0 EEAEHO C[C@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CCN1CC(C)(C)O ZINC000298565907 465433692 /nfs/dbraw/zinc/43/36/92/465433692.db2.gz WNGFSGAYVGSUAM-PKOBYXMFSA-N 1 3 331.504 2.038 10 0 EEAEHO C[C@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1CC(C)(C)O ZINC000298565907 465433697 /nfs/dbraw/zinc/43/36/97/465433697.db2.gz WNGFSGAYVGSUAM-PKOBYXMFSA-N 1 3 331.504 2.038 10 0 EEAEHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000270344053 464252701 /nfs/dbraw/zinc/25/27/01/464252701.db2.gz MBFFDJLEQYEZMA-FCLVOEFKSA-N 1 3 342.487 2.214 10 0 EEAEHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000270344053 464252708 /nfs/dbraw/zinc/25/27/08/464252708.db2.gz MBFFDJLEQYEZMA-FCLVOEFKSA-N 1 3 342.487 2.214 10 0 EEAEHO CC[N@@H+]1CC[C@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000264454725 464333248 /nfs/dbraw/zinc/33/32/48/464333248.db2.gz HLDALSSDKZNYNT-GOSISDBHSA-N 1 3 329.488 2.357 10 0 EEAEHO CC[N@H+]1CC[C@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000264454725 464333253 /nfs/dbraw/zinc/33/32/53/464333253.db2.gz HLDALSSDKZNYNT-GOSISDBHSA-N 1 3 329.488 2.357 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000249975616 464923739 /nfs/dbraw/zinc/92/37/39/464923739.db2.gz KXSDYMUYUMMPEH-UWWQBHOKSA-N 1 3 333.451 2.152 10 0 EEAEHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCN1CCc2ccccc2C1 ZINC000348900394 465863311 /nfs/dbraw/zinc/86/33/11/465863311.db2.gz MUBCOFPYBYQKFB-QFBILLFUSA-N 1 3 329.488 2.233 10 0 EEAEHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CCN1CCc2ccccc2C1 ZINC000348900394 465863318 /nfs/dbraw/zinc/86/33/18/465863318.db2.gz MUBCOFPYBYQKFB-QFBILLFUSA-N 1 3 329.488 2.233 10 0 EEAEHO CC1CC[NH+](CCCCNC(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000417032503 466759674 /nfs/dbraw/zinc/75/96/74/466759674.db2.gz QLSNLGQTVAVNFU-GOSISDBHSA-N 1 3 332.492 2.498 10 0 EEAEHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000417240372 466812810 /nfs/dbraw/zinc/81/28/10/466812810.db2.gz PKLXPNQZKLXJOC-DOTOQJQBSA-N 1 3 332.492 2.496 10 0 EEAEHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000417240372 466812812 /nfs/dbraw/zinc/81/28/12/466812812.db2.gz PKLXPNQZKLXJOC-DOTOQJQBSA-N 1 3 332.492 2.496 10 0 EEAEHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418042246 467031805 /nfs/dbraw/zinc/03/18/05/467031805.db2.gz LMEMAZCYNBCMHK-IEZWGBDMSA-N 1 3 330.476 2.172 10 0 EEAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N(C)C ZINC000418160652 467062696 /nfs/dbraw/zinc/06/26/96/467062696.db2.gz BJWUWVFLNOGTKT-CAMMJAKZSA-N 1 3 344.503 2.380 10 0 EEAEHO CCC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccn1 ZINC000414189374 467388080 /nfs/dbraw/zinc/38/80/80/467388080.db2.gz JQLNYBXMNCCBLX-GOSISDBHSA-N 1 3 346.519 2.309 10 0 EEAEHO CCCN1CCN(c2ccccc2CN[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000414943742 467455587 /nfs/dbraw/zinc/45/55/87/467455587.db2.gz OKVNDQCWKJGAOY-PKOBYXMFSA-N 1 3 330.520 2.306 10 0 EEAEHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3CCCCN3CCO)CC2)C1 ZINC000449389426 467635597 /nfs/dbraw/zinc/63/55/97/467635597.db2.gz CTWVUYAZFJAZPE-RLLQIKCJSA-N 1 3 337.552 2.466 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H](C[NH3+])C2CCCC2)[C@H]1c1ccccc1 ZINC000516857041 468050235 /nfs/dbraw/zinc/05/02/35/468050235.db2.gz LYCOMJBOSJHTOY-OKZBNKHCSA-N 1 3 330.476 2.249 10 0 EEAEHO COC(=O)[C@]1(OC)CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000599558514 469291961 /nfs/dbraw/zinc/29/19/61/469291961.db2.gz JYNNGKPQKNHKRT-FQEVSTJZSA-N 1 3 346.471 2.436 10 0 EEAEHO C[N@@H+]1CC[C@H](NCc2ccc(CN3CCOCC3)cc2)CC1(C)C ZINC000623341395 469630080 /nfs/dbraw/zinc/63/00/80/469630080.db2.gz ACHSXOBBLDMCSM-IBGZPJMESA-N 1 3 331.504 2.481 10 0 EEAEHO C[N@H+]1CC[C@H](NCc2ccc(CN3CCOCC3)cc2)CC1(C)C ZINC000623341395 469630083 /nfs/dbraw/zinc/63/00/83/469630083.db2.gz ACHSXOBBLDMCSM-IBGZPJMESA-N 1 3 331.504 2.481 10 0 EEAEHO CN1CC[C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)CC1(C)C ZINC000623341395 469630085 /nfs/dbraw/zinc/63/00/85/469630085.db2.gz ACHSXOBBLDMCSM-IBGZPJMESA-N 1 3 331.504 2.481 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc2c1OC(C)(C)C2 ZINC000617502638 469702041 /nfs/dbraw/zinc/70/20/41/469702041.db2.gz WVHIQYMBECYTQV-HNNXBMFYSA-N 1 3 347.503 2.402 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc2c1OC(C)(C)C2 ZINC000617502638 469702045 /nfs/dbraw/zinc/70/20/45/469702045.db2.gz WVHIQYMBECYTQV-HNNXBMFYSA-N 1 3 347.503 2.402 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c[nH]c2cc(F)ccc12 ZINC000617506313 469706724 /nfs/dbraw/zinc/70/67/24/469706724.db2.gz KBNRITNGTSWREB-ZDUSSCGKSA-N 1 3 334.439 2.309 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c[nH]c2cc(F)ccc12 ZINC000617506313 469706727 /nfs/dbraw/zinc/70/67/27/469706727.db2.gz KBNRITNGTSWREB-ZDUSSCGKSA-N 1 3 334.439 2.309 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000626984538 469777948 /nfs/dbraw/zinc/77/79/48/469777948.db2.gz HWERLJGCVUMIBS-DSJMHWKBSA-N 1 3 336.505 2.181 10 0 EEAEHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)N(C)C)cc1 ZINC000627038068 469798817 /nfs/dbraw/zinc/79/88/17/469798817.db2.gz XNQQBBBHYPINFJ-BMGDILEWSA-N 1 3 348.491 2.126 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C[NH2+]1 ZINC000627200716 469842780 /nfs/dbraw/zinc/84/27/80/469842780.db2.gz UAVUEILSVQTWSV-NZSAHSFTSA-N 1 3 344.503 2.433 10 0 EEAEHO C/C=C\CN[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000624197600 469872211 /nfs/dbraw/zinc/87/22/11/469872211.db2.gz RFJRKSQUXHYGHP-YVACAVLKSA-N 1 3 339.505 2.143 10 0 EEAEHO C[C@@H](N[C@H]1CCN(C2CCC2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000624342277 469910474 /nfs/dbraw/zinc/91/04/74/469910474.db2.gz BCFAGWRGHLQABQ-BEFAXECRSA-N 1 3 345.487 2.431 10 0 EEAEHO C[C@@H]1CN(CCCC[NH2+]Cc2c3c(nn2C)CCCC3)C[C@@H](C)O1 ZINC000631075287 470062697 /nfs/dbraw/zinc/06/26/97/470062697.db2.gz PAQBJZUNMDQVNH-HZPDHXFCSA-N 1 3 334.508 2.278 10 0 EEAEHO COc1ccc(C[C@H](CO)CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1O ZINC000628279225 470086107 /nfs/dbraw/zinc/08/61/07/470086107.db2.gz AMFVJJHBLCRAAD-HOTGVXAUSA-N 1 3 336.476 2.014 10 0 EEAEHO COc1ccc(C[C@H](CO)CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1O ZINC000628279225 470086110 /nfs/dbraw/zinc/08/61/10/470086110.db2.gz AMFVJJHBLCRAAD-HOTGVXAUSA-N 1 3 336.476 2.014 10 0 EEAEHO CO[C@H](CN(C)CCN(C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000625268449 470109073 /nfs/dbraw/zinc/10/90/73/470109073.db2.gz QIMXHKWQTAZTKH-LJQANCHMSA-N 1 3 337.483 2.471 10 0 EEAEHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)C1 ZINC000631647073 470176145 /nfs/dbraw/zinc/17/61/45/470176145.db2.gz PHUWRPNGYPAHGD-MUGJNUQGSA-N 1 3 342.483 2.300 10 0 EEAEHO C[C@@H]([NH2+]C1(CNC(=O)COC2(C)CNC2)CCCC1)c1ccccc1 ZINC000649331721 470548628 /nfs/dbraw/zinc/54/86/28/470548628.db2.gz RNAYYSNREFXMGV-MRXNPFEDSA-N 1 3 345.487 2.145 10 0 EEAEHO CCC1([NH+](C)C)CCN(C[C@H](O)CN(C)Cc2ccccc2)CC1 ZINC000640017713 470756762 /nfs/dbraw/zinc/75/67/62/470756762.db2.gz KETCOVMDKNLQEM-LJQANCHMSA-N 1 3 333.520 2.286 10 0 EEAEHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cccc3c2OCCO3)C1 ZINC000650722473 470951099 /nfs/dbraw/zinc/95/10/99/470951099.db2.gz UTTGXNBDQISFPB-RYRKJORJSA-N 1 3 332.444 2.319 10 0 EEAEHO CC(C)C[N@H+](C)CCCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000651192851 471084843 /nfs/dbraw/zinc/08/48/43/471084843.db2.gz DBHPTDVHQJGHCY-UHFFFAOYSA-N 1 3 326.529 2.480 10 0 EEAEHO CC(C)C[N@@H+](C)CCCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000651192851 471084845 /nfs/dbraw/zinc/08/48/45/471084845.db2.gz DBHPTDVHQJGHCY-UHFFFAOYSA-N 1 3 326.529 2.480 10 0 EEAEHO [NH3+]CC1(CCNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000652128200 471240662 /nfs/dbraw/zinc/24/06/62/471240662.db2.gz RWCASXNBGRZSHD-KRWDZBQOSA-N 1 3 330.476 2.252 10 0 EEAEHO C[C@@]1(CNC(=O)NCCC2(C[NH3+])CC2)CCCN1Cc1ccccc1 ZINC000652180316 471251427 /nfs/dbraw/zinc/25/14/27/471251427.db2.gz PVMSAMIEVJVAFC-IBGZPJMESA-N 1 3 344.503 2.469 10 0 EEAEHO CN1CCN(Cc2ccccc2)[C@@H](C[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000658341243 471290187 /nfs/dbraw/zinc/29/01/87/471290187.db2.gz HVISYPIBNXBZLH-NRFANRHFSA-N 1 3 342.531 2.019 10 0 EEAEHO CN1CCN(Cc2ccccc2)[C@@H](CNC2CC[NH+](C3CC3)CC2)C1 ZINC000658341243 471290190 /nfs/dbraw/zinc/29/01/90/471290190.db2.gz HVISYPIBNXBZLH-NRFANRHFSA-N 1 3 342.531 2.019 10 0 EEAEHO Fc1cccc([C@@H]2C[NH2+]CCN2Cc2nc3c(s2)CNCC3)c1 ZINC000663492662 471400082 /nfs/dbraw/zinc/40/00/82/471400082.db2.gz AWEXANYUJGOYSJ-HNNXBMFYSA-N 1 3 332.448 2.074 10 0 EEAEHO CCN(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)[C@H]1CCN(CC)C1 ZINC000663633267 471455631 /nfs/dbraw/zinc/45/56/31/471455631.db2.gz DFBPXWHBONASRG-BZSNNMDCSA-N 1 3 338.540 2.480 10 0 EEAEHO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659033353 471476922 /nfs/dbraw/zinc/47/69/22/471476922.db2.gz WGNNJXPSEYAEBJ-RHSMWYFYSA-N 1 3 334.464 2.199 10 0 EEAEHO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659035695 471478152 /nfs/dbraw/zinc/47/81/52/471478152.db2.gz YTEIGNAYDIYLOE-MSOLQXFVSA-N 1 3 346.475 2.342 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC[N@@H+]1C ZINC000659037304 471479565 /nfs/dbraw/zinc/47/95/65/471479565.db2.gz WNDCWBVWOBYAJX-OLMNPRSZSA-N 1 3 346.475 2.294 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC[N@H+]1C ZINC000659037304 471479566 /nfs/dbraw/zinc/47/95/66/471479566.db2.gz WNDCWBVWOBYAJX-OLMNPRSZSA-N 1 3 346.475 2.294 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)N(C)C)cc1 ZINC000653106056 471488960 /nfs/dbraw/zinc/48/89/60/471488960.db2.gz REYFMSXRHXDBJC-QRVBRYPASA-N 1 3 329.488 2.499 10 0 EEAEHO CC[N@H+](CCCNC(=O)N1CC[C@@H](F)[C@H](N)C1)C1CCCCC1 ZINC000659559350 471677051 /nfs/dbraw/zinc/67/70/51/471677051.db2.gz LASLUHXLTXINAH-HZPDHXFCSA-N 1 3 328.476 2.112 10 0 EEAEHO CC[N@@H+](CCCNC(=O)N1CC[C@@H](F)[C@H](N)C1)C1CCCCC1 ZINC000659559350 471677054 /nfs/dbraw/zinc/67/70/54/471677054.db2.gz LASLUHXLTXINAH-HZPDHXFCSA-N 1 3 328.476 2.112 10 0 EEAEHO CN(C)C[C@@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000670113614 471678829 /nfs/dbraw/zinc/67/88/29/471678829.db2.gz FVOHPWUIWJQRAH-JKSUJKDBSA-N 1 3 338.883 2.336 10 0 EEAEHO CN(C)C[C@@H](NC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000670113614 471678834 /nfs/dbraw/zinc/67/88/34/471678834.db2.gz FVOHPWUIWJQRAH-JKSUJKDBSA-N 1 3 338.883 2.336 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000664542306 471788651 /nfs/dbraw/zinc/78/86/51/471788651.db2.gz JVODVXJMIQBDOQ-MAUKXSAKSA-N 1 3 347.507 2.104 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000664542306 471788658 /nfs/dbraw/zinc/78/86/58/471788658.db2.gz JVODVXJMIQBDOQ-MAUKXSAKSA-N 1 3 347.507 2.104 10 0 EEAEHO CCN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CCN(C)C1 ZINC000664727394 471845904 /nfs/dbraw/zinc/84/59/04/471845904.db2.gz HLJCQTKIXVYHDN-GOSISDBHSA-N 1 3 332.492 2.026 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000654384040 471937950 /nfs/dbraw/zinc/93/79/50/471937950.db2.gz QHYWPVMASYWCPO-GBESFXJTSA-N 1 3 344.503 2.290 10 0 EEAEHO CS(=O)(=O)CC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000665234861 471975972 /nfs/dbraw/zinc/97/59/72/471975972.db2.gz KZZGTZCMWGHLSR-OWCLPIDISA-N 1 3 328.522 2.102 10 0 EEAEHO CC(C)C[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665759724 472175859 /nfs/dbraw/zinc/17/58/59/472175859.db2.gz NJEVHVDXEVBVOL-DLBZAZTESA-N 1 3 326.529 2.336 10 0 EEAEHO CC(C)C[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665759724 472175864 /nfs/dbraw/zinc/17/58/64/472175864.db2.gz NJEVHVDXEVBVOL-DLBZAZTESA-N 1 3 326.529 2.336 10 0 EEAEHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc(C(C)(C)N)no2)C1 ZINC000662747305 472232822 /nfs/dbraw/zinc/23/28/22/472232822.db2.gz SFBQDTMOAFAYKX-HNNXBMFYSA-N 1 3 342.443 2.215 10 0 EEAEHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc(C(C)(C)N)no2)C1 ZINC000662747305 472232830 /nfs/dbraw/zinc/23/28/30/472232830.db2.gz SFBQDTMOAFAYKX-HNNXBMFYSA-N 1 3 342.443 2.215 10 0 EEAEHO [NH3+]C[C@@H]1CCN(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000668864768 472302376 /nfs/dbraw/zinc/30/23/76/472302376.db2.gz SWBFIFDTJDMNPN-INIZCTEOSA-N 1 3 330.476 2.163 10 0 EEAEHO C[C@H](NC(=O)N[C@@H]1CCCN(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679297757 485651179 /nfs/dbraw/zinc/65/11/79/485651179.db2.gz IABOYBLOUIAYMH-QXAKKESOSA-N 1 3 344.503 2.290 10 0 EEAEHO C[C@H](NC(=O)N[C@@H]1CCCN(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679297757 485651186 /nfs/dbraw/zinc/65/11/86/485651186.db2.gz IABOYBLOUIAYMH-QXAKKESOSA-N 1 3 344.503 2.290 10 0 EEAEHO CN1CCC[C@@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000676927778 486343977 /nfs/dbraw/zinc/34/39/77/486343977.db2.gz NNFRZADVYOPKNX-GOSISDBHSA-N 1 3 336.524 2.378 10 0 EEAEHO C[C@@H](Cc1ccccc1)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000132248089 534246555 /nfs/dbraw/zinc/24/65/55/534246555.db2.gz OEAUJWGBXIIVIF-KRWDZBQOSA-N 1 3 331.504 2.255 10 0 EEAEHO O=C(CCN1CCc2ccccc2C1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000416137063 534415233 /nfs/dbraw/zinc/41/52/33/534415233.db2.gz RSILXIXBCOMWLY-RBUKOAKNSA-N 1 3 327.472 2.178 10 0 EEAEHO O=C(CCN1CCc2ccccc2C1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000416137063 534415238 /nfs/dbraw/zinc/41/52/38/534415238.db2.gz RSILXIXBCOMWLY-RBUKOAKNSA-N 1 3 327.472 2.178 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3CCC4(CCC4)O3)CC2)CC1 ZINC000896004948 684800849 /nfs/dbraw/zinc/80/08/49/684800849.db2.gz UOWVHPGGAMGMGE-SFHVURJKSA-N 1 3 349.519 2.153 10 0 EEAEHO COc1ccc([C@@H](NC(C)C)C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000896109631 684844610 /nfs/dbraw/zinc/84/46/10/684844610.db2.gz KDGVIYGWPZFRLQ-SJLPKXTDSA-N 1 3 333.476 2.287 10 0 EEAEHO C[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CN1C1CC1 ZINC000896897575 685670206 /nfs/dbraw/zinc/67/02/06/685670206.db2.gz APORHLZTIIQAPS-RGIVZKHGSA-N 1 3 327.472 2.421 10 0 EEAEHO C[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CN1C1CC1 ZINC000896897575 685670209 /nfs/dbraw/zinc/67/02/09/685670209.db2.gz APORHLZTIIQAPS-RGIVZKHGSA-N 1 3 327.472 2.421 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)C34CC[NH+](CC3)C4)c(C)c2)CC1 ZINC000899981154 693948672 /nfs/dbraw/zinc/94/86/72/693948672.db2.gz OBBNKQOLYVFMMJ-UHFFFAOYSA-N 1 3 342.487 2.171 10 0 EEAEHO C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CN(Cc2ccccc2)C1 ZINC001485508992 1191819840 /nfs/dbraw/zinc/81/98/40/1191819840.db2.gz GFSCBISQFBWZEF-APWZRJJASA-N 1 3 329.488 2.498 10 0 EEAEHO C[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CN(Cc2ccccc2)C1 ZINC001485508992 1191819841 /nfs/dbraw/zinc/81/98/41/1191819841.db2.gz GFSCBISQFBWZEF-APWZRJJASA-N 1 3 329.488 2.498 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2C1 ZINC001485656399 1191875016 /nfs/dbraw/zinc/87/50/16/1191875016.db2.gz CMWQEPMRRCKEJL-SOUVJXGZSA-N 1 3 349.441 2.497 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]2C1 ZINC001485656399 1191875018 /nfs/dbraw/zinc/87/50/18/1191875018.db2.gz CMWQEPMRRCKEJL-SOUVJXGZSA-N 1 3 349.441 2.497 10 0 EEAEHO C[C@@H](CCCNCc1ccncc1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485747375 1191929681 /nfs/dbraw/zinc/92/96/81/1191929681.db2.gz BHWKZBBTVFYZES-DZGCQCFKSA-N 1 3 338.883 2.061 10 0 EEAEHO C[C@@H](CCCNCc1ccncc1Cl)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485747375 1191929683 /nfs/dbraw/zinc/92/96/83/1191929683.db2.gz BHWKZBBTVFYZES-DZGCQCFKSA-N 1 3 338.883 2.061 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)[C@H]2C1 ZINC001486167122 1193709665 /nfs/dbraw/zinc/70/96/65/1193709665.db2.gz PPMYMNDYEHTBMH-QDAKYZJLSA-N 1 3 327.900 2.297 10 0 EEAEHO Cc1cccc(OCC[NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001266531162 1176758927 /nfs/dbraw/zinc/75/89/27/1176758927.db2.gz VBEJHVNSWUDCMW-KRWDZBQOSA-N 1 3 345.487 2.049 10 0 EEAEHO Cc1ccccc1OCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266692883 1177214692 /nfs/dbraw/zinc/21/46/92/1177214692.db2.gz GMQIWRIYLCYOQR-SCTDSRPQSA-N 1 3 347.503 2.197 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001267018913 1178104539 /nfs/dbraw/zinc/10/45/39/1178104539.db2.gz RLTGQOIIHBBDTA-HKUYNNGSSA-N 1 3 329.488 2.152 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CCCCC(F)(F)F)C1 ZINC001267070110 1178186242 /nfs/dbraw/zinc/18/62/42/1178186242.db2.gz IDQBQIAXBKZRJY-AWEZNQCLSA-N 1 3 337.430 2.497 10 0 EEAEHO CC(C)OCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001691466424 1178896557 /nfs/dbraw/zinc/89/65/57/1178896557.db2.gz GDNIXTYGSPYQDO-OKZBNKHCSA-N 1 3 339.524 2.160 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]CC[C@@H]2CCc3ccccc32)C1 ZINC001267429194 1178995999 /nfs/dbraw/zinc/99/59/99/1178995999.db2.gz SEKSIGCPWCPDGU-HKUYNNGSSA-N 1 3 343.515 2.496 10 0 EEAEHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001481462216 1181459089 /nfs/dbraw/zinc/45/90/89/1181459089.db2.gz RIQZTOYSKRVDPK-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC001481462216 1181459096 /nfs/dbraw/zinc/45/90/96/1181459096.db2.gz RIQZTOYSKRVDPK-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c(C)n1 ZINC001268398882 1182480917 /nfs/dbraw/zinc/48/09/17/1182480917.db2.gz PVKSAQJPYPFCBM-MAUKXSAKSA-N 1 3 334.508 2.269 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cncs1 ZINC001268402202 1182498857 /nfs/dbraw/zinc/49/88/57/1182498857.db2.gz GFNBBQSXJDQYSM-HOCLYGCPSA-N 1 3 338.521 2.390 10 0 EEAEHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001268414958 1182571762 /nfs/dbraw/zinc/57/17/62/1182571762.db2.gz NMPNWVINKRYPPA-OCCSQVGLSA-N 1 3 326.872 2.060 10 0 EEAEHO Cc1oncc1CNCC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001268417513 1182578424 /nfs/dbraw/zinc/57/84/24/1182578424.db2.gz YJGWDGCQHCQDGA-AWEZNQCLSA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc2c(c1)CCC2 ZINC001268419584 1182584918 /nfs/dbraw/zinc/58/49/18/1182584918.db2.gz QTWQONUIXKAKLT-AWEZNQCLSA-N 1 3 340.471 2.434 10 0 EEAEHO CCCCOCCN1CC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001481773867 1182684776 /nfs/dbraw/zinc/68/47/76/1182684776.db2.gz DZNIADQPXAVZRU-SFHVURJKSA-N 1 3 339.524 2.068 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1ccc(Cl)nc1 ZINC001482064745 1183280170 /nfs/dbraw/zinc/28/01/70/1183280170.db2.gz NHQYDMYKCRMGJM-OAHLLOKOSA-N 1 3 338.883 2.157 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1ccc(Cl)nc1 ZINC001482064745 1183280174 /nfs/dbraw/zinc/28/01/74/1183280174.db2.gz NHQYDMYKCRMGJM-OAHLLOKOSA-N 1 3 338.883 2.157 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]CCc1c(F)cccc1Cl ZINC001268716726 1183636260 /nfs/dbraw/zinc/63/62/60/1183636260.db2.gz JLBMNSCGSABRMX-ZDUSSCGKSA-N 1 3 343.874 2.456 10 0 EEAEHO CCOCCCN1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269297284 1184148793 /nfs/dbraw/zinc/14/87/93/1184148793.db2.gz XBXMWKCJUIBLHM-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO C[NH+](C)CC1(C(=O)N[C@@](C)(CNCCF)C2CC2)CCCCC1 ZINC001269626635 1184452559 /nfs/dbraw/zinc/45/25/59/1184452559.db2.gz VGNNJQYZLKNZQF-KRWDZBQOSA-N 1 3 327.488 2.343 10 0 EEAEHO CCOCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)N(C)C)CC2 ZINC001270340044 1185032440 /nfs/dbraw/zinc/03/24/40/1185032440.db2.gz LZJXEAXTKNAZMI-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)N(C)C)CC2 ZINC001270340044 1185032445 /nfs/dbraw/zinc/03/24/45/1185032445.db2.gz LZJXEAXTKNAZMI-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1CNCc1cscn1 ZINC001271698727 1186379134 /nfs/dbraw/zinc/37/91/34/1186379134.db2.gz FNIZTUAFTBLJJX-GJZGRUSLSA-N 1 3 338.521 2.059 10 0 EEAEHO Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)s1 ZINC001482845834 1187764768 /nfs/dbraw/zinc/76/47/68/1187764768.db2.gz UCIUVBMNKDLVJL-WFASDCNBSA-N 1 3 326.510 2.022 10 0 EEAEHO Cc1nc(C(C)C)ccc1C[NH2+]CCN(C)C(=O)CN(C)C(C)C ZINC001691623099 1188322511 /nfs/dbraw/zinc/32/25/11/1188322511.db2.gz LMEOYNWPPLSZDX-UHFFFAOYSA-N 1 3 334.508 2.402 10 0 EEAEHO Cc1nocc1CN1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001272227222 1188433875 /nfs/dbraw/zinc/43/38/75/1188433875.db2.gz UPEMAAFUVNYFFJ-AEFFLSMTSA-N 1 3 348.491 2.138 10 0 EEAEHO CC(C)[NH+]1CCC(C(=O)NC/C=C\CNCCC(F)(F)F)CC1 ZINC001483075595 1188434863 /nfs/dbraw/zinc/43/48/63/1188434863.db2.gz MJOWZMDVGCVJCL-ARJAWSKDSA-N 1 3 335.414 2.321 10 0 EEAEHO Cc1nn(C(C)C)cc1C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001409473903 1189777942 /nfs/dbraw/zinc/77/79/42/1189777942.db2.gz OUGIACCVVWVAFI-CABCVRRESA-N 1 3 337.512 2.095 10 0 EEAEHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)N(C)C[C@H]1CC(C)(C)CO1 ZINC001409680813 1190180248 /nfs/dbraw/zinc/18/02/48/1190180248.db2.gz FEPYRUIZHKVXMM-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO CN(CCC[NH2+]C[C@H]1CCc2ccccc2C1)C(=O)Cc1c[nH]cn1 ZINC001483495367 1190511904 /nfs/dbraw/zinc/51/19/04/1190511904.db2.gz XPCMUKZSJRRIDP-INIZCTEOSA-N 1 3 340.471 2.195 10 0 EEAEHO Cc1nn(C(C)C)cc1CN[C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001486122654 1193688114 /nfs/dbraw/zinc/68/81/14/1193688114.db2.gz SYMZLNJZTPEXMB-CRAIPNDOSA-N 1 3 349.523 2.193 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@@H](CC[NH2+]Cc3ccccc3F)C2)C1 ZINC001272566088 1190880777 /nfs/dbraw/zinc/88/07/77/1190880777.db2.gz RSVFSWIWMKUKQD-DLBZAZTESA-N 1 3 347.478 2.496 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC1CCOCC1)C1CCCC1 ZINC001484014905 1191156478 /nfs/dbraw/zinc/15/64/78/1191156478.db2.gz TZNYJTCRACICCV-SFHVURJKSA-N 1 3 339.524 2.018 10 0 EEAEHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001484692011 1191468750 /nfs/dbraw/zinc/46/87/50/1191468750.db2.gz AYSTWIFNGJBJOE-QGZVFWFLSA-N 1 3 341.540 2.218 10 0 EEAEHO Cc1cccnc1CN1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001484936026 1191580044 /nfs/dbraw/zinc/58/00/44/1191580044.db2.gz AKVDASFXFXXUMP-KRWDZBQOSA-N 1 3 332.492 2.058 10 0 EEAEHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001484994483 1191609728 /nfs/dbraw/zinc/60/97/28/1191609728.db2.gz XHHMKNSOHFPQAR-ZNMIVQPWSA-N 1 3 333.467 2.492 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)CCc1ccc(F)c(F)c1 ZINC001485389357 1191776058 /nfs/dbraw/zinc/77/60/58/1191776058.db2.gz SVCXUSHNYKVZHN-CQSZACIVSA-N 1 3 341.446 2.284 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)CCc1ccc(F)c(F)c1 ZINC001485389357 1191776060 /nfs/dbraw/zinc/77/60/60/1191776060.db2.gz SVCXUSHNYKVZHN-CQSZACIVSA-N 1 3 341.446 2.284 10 0 EEAEHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CC1(C)C ZINC001486244918 1193770645 /nfs/dbraw/zinc/77/06/45/1193770645.db2.gz PKEDVVPYRUQCEV-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H](F)C[NH+]1CCC([C@H](C)NC(=O)CN(C)C2CCC2)CC1 ZINC001486446727 1193961353 /nfs/dbraw/zinc/96/13/53/1193961353.db2.gz XIMMQCPULZRKIC-GOEBONIOSA-N 1 3 327.488 2.436 10 0 EEAEHO CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(Cl)nc2)C1)N(C)C ZINC001486465509 1193980368 /nfs/dbraw/zinc/98/03/68/1193980368.db2.gz IGZYXMSOGLROID-YMAMQOFZSA-N 1 3 338.883 2.154 10 0 EEAEHO C[C@H](NC(=O)CC[NH+](C)C)C1CN(CCOC2CCCCCC2)C1 ZINC001409955651 1194279852 /nfs/dbraw/zinc/27/98/52/1194279852.db2.gz YWUYPYFRJYDLQZ-INIZCTEOSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)s1 ZINC001410211903 1197605853 /nfs/dbraw/zinc/60/58/53/1197605853.db2.gz QMEWJLCKNSTEEE-DZKIICNBSA-N 1 3 338.521 2.022 10 0 EEAEHO Cc1ncc(C[NH2+][C@H](CCNC(=O)C2(N(C)C)CCC2)C(C)C)o1 ZINC001410245440 1197629555 /nfs/dbraw/zinc/62/95/55/1197629555.db2.gz BQBFXYVIVMUHPN-MRXNPFEDSA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1ccc(CN2CC[C@@]3(NC(=O)CC[NH+](C)C)CCC[C@@H]23)c(C)n1 ZINC001410884224 1198532112 /nfs/dbraw/zinc/53/21/12/1198532112.db2.gz AVOSBBLBVKBKEQ-QUCCMNQESA-N 1 3 344.503 2.263 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CCNCc1cccnc1C ZINC001273412981 1198670562 /nfs/dbraw/zinc/67/05/62/1198670562.db2.gz OIXKHVJUAPQMTP-GOSISDBHSA-N 1 3 332.492 2.203 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CCNCc1cccnc1C ZINC001273412981 1198670565 /nfs/dbraw/zinc/67/05/65/1198670565.db2.gz OIXKHVJUAPQMTP-GOSISDBHSA-N 1 3 332.492 2.203 10 0 EEAEHO COc1ccccc1[C@@H](C)NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000866595362 1201556795 /nfs/dbraw/zinc/55/67/95/1201556795.db2.gz JUFOKJONXIJDSJ-QGZVFWFLSA-N 1 3 347.503 2.142 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC/C=C/C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001274533976 1205069843 /nfs/dbraw/zinc/06/98/43/1205069843.db2.gz HKAJFBNQNNEETC-BAABZTOOSA-N 1 3 340.418 2.348 10 0 EEAEHO CC1CCN(CC(=O)N(C)CCC[NH2+]CC[C@H]2CCCCO2)CC1 ZINC001276298715 1205873784 /nfs/dbraw/zinc/87/37/84/1205873784.db2.gz ZZBSSJRVRHKDJG-GOSISDBHSA-N 1 3 339.524 2.116 10 0 EEAEHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000924543622 1205993606 /nfs/dbraw/zinc/99/36/06/1205993606.db2.gz AQXJMXOWQSXWAG-INYHJIAOSA-N 1 3 335.517 2.051 10 0 EEAEHO O=C(NCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccccc1F ZINC000925497481 1206119592 /nfs/dbraw/zinc/11/95/92/1206119592.db2.gz ZWZAQRDFXUWBAS-AEFFLSMTSA-N 1 3 333.451 2.313 10 0 EEAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCNC(=O)c1ccc(F)cc1 ZINC000925593969 1206133595 /nfs/dbraw/zinc/13/35/95/1206133595.db2.gz BEVMRTFSWBDUHP-IKGGRYGDSA-N 1 3 333.451 2.312 10 0 EEAEHO O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1)C1(O)CCC1 ZINC000929846698 1206508474 /nfs/dbraw/zinc/50/84/74/1206508474.db2.gz JFINVGICXCOGFK-VAMGGRTRSA-N 1 3 344.499 2.249 10 0 EEAEHO O[C@H](C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1)C1(O)CCC1 ZINC000929846698 1206508476 /nfs/dbraw/zinc/50/84/76/1206508476.db2.gz JFINVGICXCOGFK-VAMGGRTRSA-N 1 3 344.499 2.249 10 0 EEAEHO C[C@@H]1C[N@H+](CCSc2ccncc2)CC[C@@H]1N1CCN(C)CC1 ZINC000930135885 1206536868 /nfs/dbraw/zinc/53/68/68/1206536868.db2.gz HNAFWPBRVRTXPQ-AEFFLSMTSA-N 1 3 334.533 2.132 10 0 EEAEHO C[C@@H]1C[N@@H+](CCSc2ccncc2)CC[C@@H]1N1CCN(C)CC1 ZINC000930135885 1206536869 /nfs/dbraw/zinc/53/68/69/1206536869.db2.gz HNAFWPBRVRTXPQ-AEFFLSMTSA-N 1 3 334.533 2.132 10 0 EEAEHO CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000930278783 1206546214 /nfs/dbraw/zinc/54/62/14/1206546214.db2.gz OJWWRHQVFZUKRQ-INDMIFKZSA-N 1 3 328.456 2.249 10 0 EEAEHO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000930278783 1206546215 /nfs/dbraw/zinc/54/62/15/1206546215.db2.gz OJWWRHQVFZUKRQ-INDMIFKZSA-N 1 3 328.456 2.249 10 0 EEAEHO c1ccc(CN2CC[C@]3(CC[N@@H+](CCO[C@H]4CCOC4)C3)C2)cc1 ZINC000930456973 1206559347 /nfs/dbraw/zinc/55/93/47/1206559347.db2.gz KOMSSNRNOOLLDI-PMACEKPBSA-N 1 3 330.472 2.390 10 0 EEAEHO c1ccc(CN2CC[C@]3(CC[N@H+](CCO[C@H]4CCOC4)C3)C2)cc1 ZINC000930456973 1206559349 /nfs/dbraw/zinc/55/93/49/1206559349.db2.gz KOMSSNRNOOLLDI-PMACEKPBSA-N 1 3 330.472 2.390 10 0 EEAEHO CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000900915321 1234997091 /nfs/dbraw/zinc/99/70/91/1234997091.db2.gz OJUDIPBRRWTSRP-GOSISDBHSA-N 1 3 327.472 2.205 10 0 EEAEHO C[NH+](C)[C@@]1(CNC(=O)c2ccc(NC3=NCCC3)cc2)CCSC1 ZINC000900947130 1235032420 /nfs/dbraw/zinc/03/24/20/1235032420.db2.gz WZLMJSPKNCAMRJ-GOSISDBHSA-N 1 3 346.500 2.458 10 0 EEAEHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cccc(OC)c1Cl)C2 ZINC000903492865 1240658606 /nfs/dbraw/zinc/65/86/06/1240658606.db2.gz JQIIWHQBCBULKY-AHIWAGSCSA-N 1 3 338.835 2.061 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN2CCC(OCCC(C)C)CC2)cnn1C ZINC000903884456 1242313224 /nfs/dbraw/zinc/31/32/24/1242313224.db2.gz AKPHMSRIUFBXMQ-QGZVFWFLSA-N 1 3 336.524 2.373 10 0 EEAEHO Cc1c(C[C@H](CN)C[NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)cnn1C ZINC000903925141 1242520038 /nfs/dbraw/zinc/52/00/38/1242520038.db2.gz KSQHOKGSPNAMAU-SOLBZPMBSA-N 1 3 336.524 2.277 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NC[C@H](C)C[NH+]2CCCC2)cc(Cl)n1 ZINC000827366079 1247957692 /nfs/dbraw/zinc/95/76/92/1247957692.db2.gz YXHTZFDWEBMXQQ-SWLSCSKDSA-N 1 3 338.883 2.281 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C/C=C/c3ccccc3)C[C@H]21 ZINC001491338101 1258966353 /nfs/dbraw/zinc/96/63/53/1258966353.db2.gz DKSBNVHBVOZWKE-CCFOBEKMSA-N 1 3 327.472 2.086 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@H]21 ZINC001491338101 1258966357 /nfs/dbraw/zinc/96/63/57/1258966357.db2.gz DKSBNVHBVOZWKE-CCFOBEKMSA-N 1 3 327.472 2.086 10 0 EEAEHO COc1cccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC001491454453 1259097882 /nfs/dbraw/zinc/09/78/82/1259097882.db2.gz JLOGBPJNKPLEPN-QAPCUYQASA-N 1 3 333.476 2.162 10 0 EEAEHO CCN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)CN1CC[C@@H](C)C1 ZINC001273609965 1281121793 /nfs/dbraw/zinc/12/17/93/1281121793.db2.gz FVPVLNXSCGWYRF-MRXNPFEDSA-N 1 3 342.487 2.448 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CCN1CCOC1CCC1 ZINC001489268973 1290479413 /nfs/dbraw/zinc/47/94/13/1290479413.db2.gz DNADVCKZPRNIQF-NUJGCVRESA-N 1 3 337.508 2.009 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CCN1CCOC1CCC1 ZINC001489268973 1290479419 /nfs/dbraw/zinc/47/94/19/1290479419.db2.gz DNADVCKZPRNIQF-NUJGCVRESA-N 1 3 337.508 2.009 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)CCCN[C@@H](C)c1cnccn1)[NH+]1CCCC1 ZINC001276404661 1315591946 /nfs/dbraw/zinc/59/19/46/1315591946.db2.gz KDRRPJZFWXZEQY-WMZOPIPTSA-N 1 3 347.507 2.096 10 0 EEAEHO CCCN(C(=O)C[C@H](N)c1cc(C)nc(Cl)c1)C1CC[NH2+]CC1 ZINC000841848828 1315622838 /nfs/dbraw/zinc/62/28/38/1315622838.db2.gz XRVVAODUAGTQLA-HNNXBMFYSA-N 1 3 338.883 2.424 10 0 EEAEHO COc1ccc(NC(=O)[C@@H]2CCCN2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000842472322 1315711933 /nfs/dbraw/zinc/71/19/33/1315711933.db2.gz WKDHRAHTAGSVFT-QAPCUYQASA-N 1 3 331.460 2.488 10 0 EEAEHO COc1cccc(C[NH2+]CC[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001280297146 1324147859 /nfs/dbraw/zinc/14/78/59/1324147859.db2.gz RCMKJGQRCABYCP-KRWDZBQOSA-N 1 3 345.487 2.119 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCOc2cccc(C)c2)[C@H]1C ZINC001283924894 1326322052 /nfs/dbraw/zinc/32/20/52/1326322052.db2.gz BFAHAYPLXCMTQO-MJGOQNOKSA-N 1 3 347.503 2.295 10 0 EEAEHO Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001491771102 1330249531 /nfs/dbraw/zinc/24/95/31/1330249531.db2.gz RWYSPXUXKUOLRX-IBGZPJMESA-N 1 3 329.488 2.214 10 0 EEAEHO CN(CCCNC(=O)CC[NH+](C)C)Cc1ccc(Cl)c(F)c1 ZINC001316845484 1331424286 /nfs/dbraw/zinc/42/42/86/1331424286.db2.gz IZUDVMJZASHDDS-UHFFFAOYSA-N 1 3 329.847 2.369 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]CCCc2ccsc2)C1 ZINC001317339105 1332185248 /nfs/dbraw/zinc/18/52/48/1332185248.db2.gz GPMVZRLWZXROGU-OAHLLOKOSA-N 1 3 332.473 2.085 10 0 EEAEHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCNCc1cnn(C(C)(C)C)c1 ZINC001317668523 1332361071 /nfs/dbraw/zinc/36/10/71/1332361071.db2.gz DJOIUMHOLVDPHI-IYBDPMFKSA-N 1 3 349.523 2.059 10 0 EEAEHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCNCc1cnn(C(C)(C)C)c1 ZINC001317668523 1332361075 /nfs/dbraw/zinc/36/10/75/1332361075.db2.gz DJOIUMHOLVDPHI-IYBDPMFKSA-N 1 3 349.523 2.059 10 0 EEAEHO Cc1cc(CNCCN(C)C(=O)c2cccc(C[NH+](C)C)c2)sn1 ZINC001317670143 1332362119 /nfs/dbraw/zinc/36/21/19/1332362119.db2.gz QADGIFNXGFMDOW-UHFFFAOYSA-N 1 3 346.500 2.375 10 0 EEAEHO CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1ccnc(Cl)c1 ZINC001318594329 1332565690 /nfs/dbraw/zinc/56/56/90/1332565690.db2.gz HFPPEOLQTRAINI-LSDHHAIUSA-N 1 3 338.883 2.061 10 0 EEAEHO CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1ccnc(Cl)c1 ZINC001318594329 1332565691 /nfs/dbraw/zinc/56/56/91/1332565691.db2.gz HFPPEOLQTRAINI-LSDHHAIUSA-N 1 3 338.883 2.061 10 0 EEAEHO CCN(CCNCc1cc(F)cc(F)c1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001320843695 1332963366 /nfs/dbraw/zinc/96/33/66/1332963366.db2.gz IXMXVCPGCJMPKE-QGZVFWFLSA-N 1 3 341.446 2.489 10 0 EEAEHO CCN(CC[NH2+]C[C@H]1CCCOC1)C(=O)[C@@H]1CCCCN1C(C)C ZINC001320861980 1332966787 /nfs/dbraw/zinc/96/67/87/1332966787.db2.gz DVAHVTDVAAJSPO-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cc(CNC/C=C/CNC(=O)[C@H]2C[NH+]3CCC2CC3)cs1 ZINC001321066079 1333010185 /nfs/dbraw/zinc/01/01/85/1333010185.db2.gz ZAWPRHADLRHWGO-YATRRXNKSA-N 1 3 333.501 2.160 10 0 EEAEHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC/C=C\CNC/C=C\Cl)C1 ZINC001321252603 1333055955 /nfs/dbraw/zinc/05/59/55/1333055955.db2.gz VUUWLYFELVIKIP-HGZLZHGCSA-N 1 3 331.863 2.213 10 0 EEAEHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC/C=C\CNC/C=C\Cl)C1 ZINC001321252603 1333055958 /nfs/dbraw/zinc/05/59/58/1333055958.db2.gz VUUWLYFELVIKIP-HGZLZHGCSA-N 1 3 331.863 2.213 10 0 EEAEHO O=C(NC/C=C\CNCc1cccc(C(F)F)c1)C12CC[NH+](CC1)C2 ZINC001321337666 1333078263 /nfs/dbraw/zinc/07/82/63/1333078263.db2.gz QIMILEDLNZJJEJ-UPHRSURJSA-N 1 3 349.425 2.482 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCOCC1 ZINC001322003876 1333194162 /nfs/dbraw/zinc/19/41/62/1333194162.db2.gz FSDMFXRVQJBIFX-FUHWJXTLSA-N 1 3 339.524 2.160 10 0 EEAEHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCCc1ccsc1 ZINC001325562047 1333912250 /nfs/dbraw/zinc/91/22/50/1333912250.db2.gz QTWSKIATWFPDRB-GOEBONIOSA-N 1 3 346.500 2.331 10 0 EEAEHO Cc1cccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001326330914 1334069952 /nfs/dbraw/zinc/06/99/52/1334069952.db2.gz HVOBLUWUGNZBOW-IEBWSBKVSA-N 1 3 329.488 2.417 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001326332714 1334070169 /nfs/dbraw/zinc/07/01/69/1334070169.db2.gz NBQLIIXHKLFTKD-CRAIPNDOSA-N 1 3 333.451 2.248 10 0 EEAEHO C[C@@H](F)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001326542094 1334112960 /nfs/dbraw/zinc/11/29/60/1334112960.db2.gz QVEOBGUHZWHQBK-YVSFHVDLSA-N 1 3 327.488 2.341 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC2(C1)CCC[N@H+](CCCCCF)C2 ZINC001330514274 1334862277 /nfs/dbraw/zinc/86/22/77/1334862277.db2.gz KTSCGDMJNFEKKF-UHFFFAOYSA-N 1 3 327.488 2.391 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC2(C1)CCC[N@@H+](CCCCCF)C2 ZINC001330514274 1334862280 /nfs/dbraw/zinc/86/22/80/1334862280.db2.gz KTSCGDMJNFEKKF-UHFFFAOYSA-N 1 3 327.488 2.391 10 0 EEAEHO C[C@H](CCCNCc1cccc(F)c1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001330976526 1334939615 /nfs/dbraw/zinc/93/96/15/1334939615.db2.gz JLFYZVHTGRVOGE-UKRRQHHQSA-N 1 3 339.430 2.291 10 0 EEAEHO C[C@H](CCCNCc1cccc(F)c1F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001330976526 1334939617 /nfs/dbraw/zinc/93/96/17/1334939617.db2.gz JLFYZVHTGRVOGE-UKRRQHHQSA-N 1 3 339.430 2.291 10 0 EEAEHO Cc1nocc1CNCC[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001570022546 1343001807 /nfs/dbraw/zinc/00/18/07/1343001807.db2.gz WIJCEBVPJBNZNT-KRWDZBQOSA-N 1 3 348.491 2.187 10 0 EEAEHO CC(C)CCOCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001570378207 1343062647 /nfs/dbraw/zinc/06/26/47/1343062647.db2.gz NDFBZULNHSFLOW-QGZVFWFLSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)NCc1ccc(Cl)nc1 ZINC001676407161 1357147353 /nfs/dbraw/zinc/14/73/53/1357147353.db2.gz OCANNRVOWXLYNA-CYBMUJFWSA-N 1 3 326.872 2.013 10 0 EEAEHO COCCC[NH2+][C@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CC1(C)C ZINC001677028565 1357265328 /nfs/dbraw/zinc/26/53/28/1357265328.db2.gz PSCNNUINBWZSAH-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]Cc2ccc3ncccc3c2)C1 ZINC001649439378 1353505662 /nfs/dbraw/zinc/50/56/62/1353505662.db2.gz FECXSGDCQLKESW-INIZCTEOSA-N 1 3 340.471 2.125 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CCCc1ccsc1 ZINC001666462713 1355529120 /nfs/dbraw/zinc/52/91/20/1355529120.db2.gz OSLVOMMVPBVOEU-MRXNPFEDSA-N 1 3 332.473 2.227 10 0 EEAEHO C[C@H](CNCc1ccc(Cl)nc1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001666976250 1355625767 /nfs/dbraw/zinc/62/57/67/1355625767.db2.gz ADSQLOVIGACXKF-CYBMUJFWSA-N 1 3 338.883 2.013 10 0 EEAEHO CCOCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001667216332 1355676337 /nfs/dbraw/zinc/67/63/37/1355676337.db2.gz GJHYFWMPVZHIHO-VQIMIIECSA-N 1 3 347.503 2.225 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccn1 ZINC001667302100 1355703950 /nfs/dbraw/zinc/70/39/50/1355703950.db2.gz PTVFMNOBCSYTDG-SFHVURJKSA-N 1 3 332.492 2.284 10 0 EEAEHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1C[NH2+]CCc1ccccc1 ZINC001667395397 1355732079 /nfs/dbraw/zinc/73/20/79/1355732079.db2.gz ZVNJXWRFUYWDIB-LPHOPBHVSA-N 1 3 340.471 2.412 10 0 EEAEHO Cc1nc(CNCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sc1C ZINC001668066566 1355861351 /nfs/dbraw/zinc/86/13/51/1355861351.db2.gz YCHCYKDCNQZCAY-NJZAAPMLSA-N 1 3 338.521 2.085 10 0 EEAEHO Cc1nc(CNCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)sc1C ZINC001668066566 1355861355 /nfs/dbraw/zinc/86/13/55/1355861355.db2.gz YCHCYKDCNQZCAY-NJZAAPMLSA-N 1 3 338.521 2.085 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCc2cccc(F)c2)CC[N@@H+]1C ZINC001668435297 1355940298 /nfs/dbraw/zinc/94/02/98/1355940298.db2.gz DDJJXVHTMGJLRT-ZWKOTPCHSA-N 1 3 335.467 2.494 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCc2cccc(F)c2)CC[N@H+]1C ZINC001668435297 1355940302 /nfs/dbraw/zinc/94/03/02/1355940302.db2.gz DDJJXVHTMGJLRT-ZWKOTPCHSA-N 1 3 335.467 2.494 10 0 EEAEHO Cc1oncc1CNCCCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001670158472 1356287355 /nfs/dbraw/zinc/28/73/55/1356287355.db2.gz UXPGLMVFLWEUOS-QGZVFWFLSA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1oncc1CNCCCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001670158472 1356287357 /nfs/dbraw/zinc/28/73/57/1356287357.db2.gz UXPGLMVFLWEUOS-QGZVFWFLSA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1F ZINC001672869573 1356603646 /nfs/dbraw/zinc/60/36/46/1356603646.db2.gz UANXIIJJCXRLLI-OAHLLOKOSA-N 1 3 344.434 2.428 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]CCCC2CCC2)CCOCC1 ZINC001673752241 1356742192 /nfs/dbraw/zinc/74/21/92/1356742192.db2.gz ZXIGAZYTXRNPID-UHFFFAOYSA-N 1 3 348.491 2.096 10 0 EEAEHO C[C@@H](F)CC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001699577495 1405402114 /nfs/dbraw/zinc/40/21/14/1405402114.db2.gz UBLMCSOTJCAUJX-ZBFHGGJFSA-N 1 3 327.488 2.483 10 0 EEAEHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001699765569 1405474331 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EEAEHO C[C@H](CN1CCOCC1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716677578 796405979 /nfs/dbraw/zinc/40/59/79/796405979.db2.gz GNSAQHPAPTYBCX-HZEGPAAWSA-N 1 3 343.515 2.350 10 0 EEAEHO C[C@H](CN1CCOCC1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716677578 796405981 /nfs/dbraw/zinc/40/59/81/796405981.db2.gz GNSAQHPAPTYBCX-HZEGPAAWSA-N 1 3 343.515 2.350 10 0 EEAEHO C[C@H](CN1CCOCC1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716677578 796405985 /nfs/dbraw/zinc/40/59/85/796405985.db2.gz GNSAQHPAPTYBCX-HZEGPAAWSA-N 1 3 343.515 2.350 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC001566225073 1125591119 /nfs/dbraw/zinc/59/11/19/1125591119.db2.gz IBLDYBTTZKJOCJ-KZNAEPCWSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H](C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC001566225073 1125591121 /nfs/dbraw/zinc/59/11/21/1125591121.db2.gz IBLDYBTTZKJOCJ-KZNAEPCWSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@H](c1cnccn1)N1CC[C@@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001436499511 1088018213 /nfs/dbraw/zinc/01/82/13/1088018213.db2.gz NKZMPPXOHZOODI-HZPDHXFCSA-N 1 3 347.507 2.096 10 0 EEAEHO CCc1nocc1C[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001437327871 1089500021 /nfs/dbraw/zinc/50/00/21/1089500021.db2.gz VXDMWZNFFGOUHB-JKSUJKDBSA-N 1 3 336.480 2.094 10 0 EEAEHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001437956815 1090553065 /nfs/dbraw/zinc/55/30/65/1090553065.db2.gz HFQIKZHJMJJUBQ-KRWDZBQOSA-N 1 3 335.467 2.494 10 0 EEAEHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001437956815 1090553068 /nfs/dbraw/zinc/55/30/68/1090553068.db2.gz HFQIKZHJMJJUBQ-KRWDZBQOSA-N 1 3 335.467 2.494 10 0 EEAEHO C[C@H](C[NH2+]Cc1ccccc1N(C)C)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001438678104 1091172606 /nfs/dbraw/zinc/17/26/06/1091172606.db2.gz DIESQTJHVKEINX-DLBZAZTESA-N 1 3 346.519 2.031 10 0 EEAEHO C[C@H](CNCc1cncs1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001445421209 1091173749 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336.505 2.004 10 0 EEAEHO Cc1csc(C[NH2+]C2CCC(NC(=O)CN(C)C(C)C)CC2)n1 ZINC001441741184 1095731872 /nfs/dbraw/zinc/73/18/72/1095731872.db2.gz OQYZUWQNEBVILE-UHFFFAOYSA-N 1 3 338.521 2.309 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C[C@H]1C ZINC001441830431 1095884558 /nfs/dbraw/zinc/88/45/58/1095884558.db2.gz GUXINUATMUPWPA-HIFRSBDPSA-N 1 3 339.430 2.384 10 0 EEAEHO Cc1nsc(C)c1CN[C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001441837298 1095904951 /nfs/dbraw/zinc/90/49/51/1095904951.db2.gz NDNHOELBVPVKET-IUODEOHRSA-N 1 3 338.521 2.181 10 0 EEAEHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001441848094 1095931392 /nfs/dbraw/zinc/93/13/92/1095931392.db2.gz WYFHSAOXTHYSQC-IAGOWNOFSA-N 1 3 343.515 2.370 10 0 EEAEHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1ccc(Cl)c(F)c1 ZINC001442010819 1096215126 /nfs/dbraw/zinc/21/51/26/1096215126.db2.gz OJTMHKGQPWBADM-JSGCOSHPSA-N 1 3 341.858 2.415 10 0 EEAEHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1ccc(Cl)c(F)c1 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2.188 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cccc(OC)c2)C1 ZINC001446939789 1101626320 /nfs/dbraw/zinc/62/63/20/1101626320.db2.gz INTMRLCLJFPRCX-WMZOPIPTSA-N 1 3 347.503 2.221 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C)c(F)c1 ZINC001497317644 1102309423 /nfs/dbraw/zinc/30/94/23/1102309423.db2.gz NCJXRWBISNXDIM-ZDUSSCGKSA-N 1 3 332.423 2.393 10 0 EEAEHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCc1cc(Cl)ccc1F ZINC001447534139 1102799741 /nfs/dbraw/zinc/79/97/41/1102799741.db2.gz BOZLSHZSBNVAFM-WBMJQRKESA-N 1 3 341.858 2.367 10 0 EEAEHO C[C@@H](NC/C=C\CNC(=O)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC001497675033 1102881614 /nfs/dbraw/zinc/88/16/14/1102881614.db2.gz MWBJESHAAXAMCA-ABCZVMIZSA-N 1 3 333.451 2.491 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC/C=C\C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001497675826 1102883864 /nfs/dbraw/zinc/88/38/64/1102883864.db2.gz UOCAMQGHIFURBE-RXYHWBRQSA-N 1 3 333.451 2.260 10 0 EEAEHO COc1cccc(C[NH2+]C/C=C/CNC(=O)CN2CC[C@H](C)C2)c1C ZINC001497677806 1102886920 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EEAEHO C[N@H+]1CCC[C@H]1CCC(=O)NCC1(NCc2cncc(F)c2)CCC1 ZINC001501964609 1113539787 /nfs/dbraw/zinc/53/97/87/1113539787.db2.gz ZFSFNDYEHSMQFB-KRWDZBQOSA-N 1 3 348.466 2.224 10 0 EEAEHO C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)NCc1cncs1 ZINC001505756827 1114172159 /nfs/dbraw/zinc/17/21/59/1114172159.db2.gz IGIHVKPQCBUMFG-LSDHHAIUSA-N 1 3 338.521 2.392 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@H](C)CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001568193354 1124348445 /nfs/dbraw/zinc/34/84/45/1124348445.db2.gz BBZGWWWVMOAMRC-MSOLQXFVSA-N 1 3 331.504 2.221 10 0 EEAEHO Cc1ccc(C[NH2+]C/C=C\CNC(=O)CN2CCC(C)CC2)cc1 ZINC001568939271 1124971787 /nfs/dbraw/zinc/97/17/87/1124971787.db2.gz LNSMIMNIANDPIQ-ARJAWSKDSA-N 1 3 329.488 2.489 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCc1ccc(Cl)nc1 ZINC001568991770 1125026472 /nfs/dbraw/zinc/02/64/72/1125026472.db2.gz KIJPITAKMUPGHA-UKRRQHHQSA-N 1 3 338.883 2.202 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCc1ccc(Cl)nc1 ZINC001568991770 1125026477 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O=C(NC[C@H]1NCCc2ccccc21)NC1CC([NH+]2CCCCC2)C1 ZINC000573701267 319959117 /nfs/dbraw/zinc/95/91/17/319959117.db2.gz JSZPEXLUCKKUQT-FAFZWHIHSA-N 1 3 342.487 2.190 10 0 EEAEHO C[C@H](NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[C@H](c1ccccc1)N(C)C ZINC000574786974 320058030 /nfs/dbraw/zinc/05/80/30/320058030.db2.gz HHWXRAPPWWDFLR-ILZDJORESA-N 1 3 344.503 2.463 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)[C@H]1c1ccccc1 ZINC000580532893 324081616 /nfs/dbraw/zinc/08/16/16/324081616.db2.gz NOCPBMVJUQOOSD-NLWGTHIKSA-N 1 3 342.487 2.217 10 0 EEAEHO CCNC(=O)N1CC[C@H](N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000090410692 462790327 /nfs/dbraw/zinc/79/03/27/462790327.db2.gz JSPOACAZJMJLSD-RDJZCZTQSA-N 1 3 348.491 2.081 10 0 EEAEHO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000048711587 462933771 /nfs/dbraw/zinc/93/37/71/462933771.db2.gz KOPSQLBXHWTWPK-ZDUSSCGKSA-N 1 3 340.427 2.379 10 0 EEAEHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000119863390 462935785 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1183078286 /nfs/dbraw/zinc/07/82/86/1183078286.db2.gz HKKYRYUWUOQROY-MRXNPFEDSA-N 1 3 348.491 2.043 10 0 EEAEHO CC(C)N(C)CC(=O)NC1(C[NH2+]CCc2ccns2)CCCC1 ZINC001269592271 1184420160 /nfs/dbraw/zinc/42/01/60/1184420160.db2.gz RVULBYQCQJYYCO-UHFFFAOYSA-N 1 3 338.521 2.044 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cncc(C)c2)C1)N(C)C ZINC001269743152 1184582216 /nfs/dbraw/zinc/58/22/16/1184582216.db2.gz YWWLRIJPJMAYMU-PKOBYXMFSA-N 1 3 346.519 2.449 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]CCc2cccs2)C1 ZINC001270830914 1185439910 /nfs/dbraw/zinc/43/99/10/1185439910.db2.gz UTQOWBIQWWMYIL-SFHVURJKSA-N 1 3 337.533 2.461 10 0 EEAEHO CC(C)OCCN1CC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001270863492 1185526516 /nfs/dbraw/zinc/52/65/16/1185526516.db2.gz HVLIBTOIUUNMEB-UHFFFAOYSA-N 1 3 339.524 2.068 10 0 EEAEHO CC(C)[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC=C(Cl)Cl ZINC001482553085 1186698528 /nfs/dbraw/zinc/69/85/28/1186698528.db2.gz KCDDWUSLRWRPSK-OLZOCXBDSA-N 1 3 336.307 2.378 10 0 EEAEHO Cc1cncc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CN(C)C(C)C)c1 ZINC001482698835 1187669039 /nfs/dbraw/zinc/66/90/39/1187669039.db2.gz NPMOUVUFAVHZRU-ZWKOTPCHSA-N 1 3 332.492 2.105 10 0 EEAEHO CC(C)OCCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001272228189 1188457553 /nfs/dbraw/zinc/45/75/53/1188457553.db2.gz YUZARSLWRUHRMX-ZWKOTPCHSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)OCCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]21 ZINC001272228189 1188457555 /nfs/dbraw/zinc/45/75/55/1188457555.db2.gz YUZARSLWRUHRMX-ZWKOTPCHSA-N 1 3 339.524 2.065 10 0 EEAEHO Cc1ccc(OCC[N@@H+](C)C[C@H](C)NC(=O)CN2CC[C@H](C)C2)cc1 ZINC001483385429 1190435080 /nfs/dbraw/zinc/43/50/80/1190435080.db2.gz WIRDUYOMPZUWPK-ROUUACIJSA-N 1 3 347.503 2.152 10 0 EEAEHO Cc1ccc(OCC[N@H+](C)C[C@H](C)NC(=O)CN2CC[C@H](C)C2)cc1 ZINC001483385429 1190435086 /nfs/dbraw/zinc/43/50/86/1190435086.db2.gz WIRDUYOMPZUWPK-ROUUACIJSA-N 1 3 347.503 2.152 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001483565306 1190554839 /nfs/dbraw/zinc/55/48/39/1190554839.db2.gz SWOUVUAZIHQACI-KBPBESRZSA-N 1 3 335.414 2.298 10 0 EEAEHO Cc1ncc(CNCC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001272653576 1190964575 /nfs/dbraw/zinc/96/45/75/1190964575.db2.gz RURIFFVOTPJINO-KRWDZBQOSA-N 1 3 348.491 2.187 10 0 EEAEHO C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCN(C/C=C\Cl)C1 ZINC001483802856 1191044526 /nfs/dbraw/zinc/04/45/26/1191044526.db2.gz VWOCSOBSVPSKAW-ZIDUMWFYSA-N 1 3 327.900 2.394 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CCCCCF)C3)C2)C1 ZINC001483847157 1191082475 /nfs/dbraw/zinc/08/24/75/1191082475.db2.gz FWSIHRNRRQYDRL-PKOBYXMFSA-N 1 3 339.499 2.392 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CCCCCF)C3)C2)C1 ZINC001483847157 1191082478 /nfs/dbraw/zinc/08/24/78/1191082478.db2.gz FWSIHRNRRQYDRL-PKOBYXMFSA-N 1 3 339.499 2.392 10 0 EEAEHO Cc1csc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@@H](C)C2)n1 ZINC001483914359 1191114629 /nfs/dbraw/zinc/11/46/29/1191114629.db2.gz NNOBMEHGSVIJMZ-LSDHHAIUSA-N 1 3 338.521 2.261 10 0 EEAEHO Cc1ncc(CN[C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C2)o1 ZINC001483915887 1191115001 /nfs/dbraw/zinc/11/50/01/1191115001.db2.gz JFANFSFOTTXFBZ-ZBFHGGJFSA-N 1 3 336.480 2.184 10 0 EEAEHO CCn1ccc(CNC2(CC)CCN(C(=O)CC[N@H+](C)CC)CC2)n1 ZINC001484817534 1191538615 /nfs/dbraw/zinc/53/86/15/1191538615.db2.gz HVAJQKYYQHLMNC-UHFFFAOYSA-N 1 3 349.523 2.106 10 0 EEAEHO CCn1ccc(CNC2(CC)CCN(C(=O)CC[N@@H+](C)CC)CC2)n1 ZINC001484817534 1191538616 /nfs/dbraw/zinc/53/86/16/1191538616.db2.gz HVAJQKYYQHLMNC-UHFFFAOYSA-N 1 3 349.523 2.106 10 0 EEAEHO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001485157855 1191673330 /nfs/dbraw/zinc/67/33/30/1191673330.db2.gz VOXHYSRNSSNDOT-OLZOCXBDSA-N 1 3 339.430 2.432 10 0 EEAEHO C[C@H](NCc1cccnc1)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485212515 1191695108 /nfs/dbraw/zinc/69/51/08/1191695108.db2.gz SVUWUHXKVYAEJK-HOTGVXAUSA-N 1 3 344.503 2.186 10 0 EEAEHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)Cc1cccc(Cl)c1 ZINC001485373397 1191763224 /nfs/dbraw/zinc/76/32/24/1191763224.db2.gz OZAVHDJXYAFMTC-AWEZNQCLSA-N 1 3 335.879 2.372 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCC(C)(C)C ZINC001486302583 1193806874 /nfs/dbraw/zinc/80/68/74/1193806874.db2.gz FNMUZXUHNRUHKZ-SJORKVTESA-N 1 3 341.540 2.094 10 0 EEAEHO CO[C@H](C[N@H+](C)CCN(C(=O)[C@@H]1CCCN1C)C(C)C)C1CCC1 ZINC001486365358 1193864483 /nfs/dbraw/zinc/86/44/83/1193864483.db2.gz SRGOAWMATOUOSD-ZWKOTPCHSA-N 1 3 339.524 2.065 10 0 EEAEHO CO[C@H](C[N@@H+](C)CCN(C(=O)[C@@H]1CCCN1C)C(C)C)C1CCC1 ZINC001486365358 1193864489 /nfs/dbraw/zinc/86/44/89/1193864489.db2.gz SRGOAWMATOUOSD-ZWKOTPCHSA-N 1 3 339.524 2.065 10 0 EEAEHO CO[C@H](C[NH2+]C1CC(N(C)C(=O)CN(C)C(C)C)C1)c1ccccc1 ZINC001486483137 1193996775 /nfs/dbraw/zinc/99/67/75/1193996775.db2.gz CGHFYSFQXIJSAJ-CTWPCTMYSA-N 1 3 347.503 2.293 10 0 EEAEHO Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCCN2C(C)C)cn1 ZINC001273053541 1194357910 /nfs/dbraw/zinc/35/79/10/1194357910.db2.gz YWOZPEXVFKTISM-CRAIPNDOSA-N 1 3 347.507 2.032 10 0 EEAEHO Cc1nc(CNCC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c(C)s1 ZINC001273123246 1194406690 /nfs/dbraw/zinc/40/66/90/1194406690.db2.gz PPQWBXZBWJIKGN-IUODEOHRSA-N 1 3 338.521 2.086 10 0 EEAEHO Cc1nc(CNCC[C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001273123246 1194406693 /nfs/dbraw/zinc/40/66/93/1194406693.db2.gz PPQWBXZBWJIKGN-IUODEOHRSA-N 1 3 338.521 2.086 10 0 EEAEHO Cc1ccc(F)c(CN[C@H](C)CN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001410368306 1197759635 /nfs/dbraw/zinc/75/96/35/1197759635.db2.gz AVWCSPQASNFBAY-CRAIPNDOSA-N 1 3 347.478 2.412 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCc2cnccc2C)CC[N@@H+]1C ZINC001410392014 1197792910 /nfs/dbraw/zinc/79/29/10/1197792910.db2.gz YHJCADYGEYWKFW-BPQIPLTHSA-N 1 3 332.492 2.057 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCc2cnccc2C)CC[N@H+]1C ZINC001410392014 1197792913 /nfs/dbraw/zinc/79/29/13/1197792913.db2.gz YHJCADYGEYWKFW-BPQIPLTHSA-N 1 3 332.492 2.057 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001410493189 1198047420 /nfs/dbraw/zinc/04/74/20/1198047420.db2.gz AJOXHKQYEACSCP-CYBMUJFWSA-N 1 3 327.419 2.242 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cncc(C)c1 ZINC001410501223 1198056131 /nfs/dbraw/zinc/05/61/31/1198056131.db2.gz GTKVDIJRCARLOK-FUHWJXTLSA-N 1 3 332.492 2.201 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CC[C@@H]2CCCO2)CC1)N(C)C ZINC001411242325 1198961540 /nfs/dbraw/zinc/96/15/40/1198961540.db2.gz YUAWUUUPXAEXQF-SZMVWBNQSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc(Cl)n1 ZINC000828428342 1199168386 /nfs/dbraw/zinc/16/83/86/1199168386.db2.gz WKIMBOGBLUUCME-LSDHHAIUSA-N 1 3 336.867 2.130 10 0 EEAEHO CN(C)[C@@H](CNC(=O)C[NH2+][C@@H]1CCC[C@]12CCCO2)c1ccccc1 ZINC000880516369 1201509960 /nfs/dbraw/zinc/50/99/60/1201509960.db2.gz SRZADHPSWMQQJG-NSHGMRRFSA-N 1 3 345.487 2.097 10 0 EEAEHO CC(C)(C)c1cccc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866711122 1201587034 /nfs/dbraw/zinc/58/70/34/1201587034.db2.gz CKIWYISSCPLULY-KSZLIROESA-N 1 3 343.471 2.351 10 0 EEAEHO C[NH+]1CCC(C(=O)NC/C=C\CNCc2ccc(F)c(F)c2)CC1 ZINC001274330265 1204998233 /nfs/dbraw/zinc/99/82/33/1204998233.db2.gz AQLONPDQBAAGEL-IHWYPQMZSA-N 1 3 337.414 2.069 10 0 EEAEHO Cc1cncc(CNC/C=C\CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001274413925 1205026870 /nfs/dbraw/zinc/02/68/70/1205026870.db2.gz POMAFZUMIHAIRX-OOFWQKGWSA-N 1 3 344.503 2.417 10 0 EEAEHO CC(C)Oc1cccc(CNC/C=C/CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001274577826 1205085444 /nfs/dbraw/zinc/08/54/44/1205085444.db2.gz CRCJLGHDXDKGND-WRFKIARRSA-N 1 3 345.487 2.188 10 0 EEAEHO CC(C)Oc1cccc(CNC/C=C/CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001274577826 1205085448 /nfs/dbraw/zinc/08/54/48/1205085448.db2.gz CRCJLGHDXDKGND-WRFKIARRSA-N 1 3 345.487 2.188 10 0 EEAEHO CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001276232378 1205846179 /nfs/dbraw/zinc/84/61/79/1205846179.db2.gz NTTUXBFLONXSOP-AWEZNQCLSA-N 1 3 326.872 2.013 10 0 EEAEHO C[C@@H]1OC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)[C@@H]1C ZINC000925439104 1206111967 /nfs/dbraw/zinc/11/19/67/1206111967.db2.gz QWARQLZOWNESOO-JTDSTZFVSA-N 1 3 345.487 2.025 10 0 EEAEHO C[C@H](C[NH2+][C@H]1C[C@@H](N)C12CCC2)N1CCN(c2ccccc2)CC1 ZINC000925546865 1206126038 /nfs/dbraw/zinc/12/60/38/1206126038.db2.gz QMXWHBFSHBAZLA-QRQLOZEOSA-N 1 3 328.504 2.057 10 0 EEAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CCC(S(C)(=O)=O)CC1 ZINC000925802633 1206155349 /nfs/dbraw/zinc/15/53/49/1206155349.db2.gz PFRREEBSXUBJFA-YGONEPDPSA-N 1 3 339.505 2.103 10 0 EEAEHO C[C@H](CC(=O)NCCc1ccccc1)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925843368 1206159114 /nfs/dbraw/zinc/15/91/14/1206159114.db2.gz PPMCGKNCPMOIET-YVWKXTFCSA-N 1 3 329.488 2.246 10 0 EEAEHO Cc1c([C@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cnn1C(C)(C)C ZINC000925848497 1206160208 /nfs/dbraw/zinc/16/02/08/1206160208.db2.gz BMHVTXZKOIRZEL-ZFWWWQNUSA-N 1 3 348.491 2.282 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000928442592 1206384248 /nfs/dbraw/zinc/38/42/48/1206384248.db2.gz WNNZTRSEDMOGSO-AEFFLSMTSA-N 1 3 329.488 2.498 10 0 EEAEHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2C)cc1 ZINC000928445184 1206384669 /nfs/dbraw/zinc/38/46/69/1206384669.db2.gz PBGLIMPRCQOUPC-MAUKXSAKSA-N 1 3 333.476 2.230 10 0 EEAEHO C[C@]12CN(Cc3ccccc3)C[C@]1(C)C[NH+](CCN1CCCC1=O)C2 ZINC000931215427 1206616613 /nfs/dbraw/zinc/61/66/13/1206616613.db2.gz XJRPQNCLPUSRTM-SFTDATJTSA-N 1 3 341.499 2.453 10 0 EEAEHO CC[NH+](CC)C[C@@H](C)NC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000827777410 1248708401 /nfs/dbraw/zinc/70/84/01/1248708401.db2.gz SLNHKXWLEKUVNA-OCCSQVGLSA-N 1 3 326.872 2.280 10 0 EEAEHO CS[C@@H]1CN(C(=O)c2ccc(NC3=NCCC3)cc2)C[C@H]1[NH+](C)C ZINC000901231709 1235424862 /nfs/dbraw/zinc/42/48/62/1235424862.db2.gz WRDCIYPATBQOQE-HZPDHXFCSA-N 1 3 346.500 2.408 10 0 EEAEHO C[C@H](C(=O)NC[C@@H]1CCN(C/C=C/Cl)C1)[NH+]1CCCCCC1 ZINC001493240154 1249795763 /nfs/dbraw/zinc/79/57/63/1249795763.db2.gz IIRVRYBOFZOZGH-DODUIYEKSA-N 1 3 327.900 2.442 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CNCCc2cc3ccccc3o2)cnn1C ZINC000903922079 1242511232 /nfs/dbraw/zinc/51/12/32/1242511232.db2.gz UODFTUMMYGIUHD-HNNXBMFYSA-N 1 3 326.444 2.424 10 0 EEAEHO Cc1c(C[C@@H](CN)C[NH2+]CCc2cc3ccccc3o2)cnn1C ZINC000903922079 1242511242 /nfs/dbraw/zinc/51/12/42/1242511242.db2.gz UODFTUMMYGIUHD-HNNXBMFYSA-N 1 3 326.444 2.424 10 0 EEAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1cnn(C(C)(C)C)c1 ZINC001491455078 1259098323 /nfs/dbraw/zinc/09/83/23/1259098323.db2.gz OBMUBIIDZZJPOM-RDJZCZTQSA-N 1 3 349.523 2.105 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1cnn(C(C)(C)C)c1 ZINC001491455078 1259098329 /nfs/dbraw/zinc/09/83/29/1259098329.db2.gz OBMUBIIDZZJPOM-RDJZCZTQSA-N 1 3 349.523 2.105 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cnoc2C)C1)N(C)C ZINC001267887078 1276748392 /nfs/dbraw/zinc/74/83/92/1276748392.db2.gz BIKPTLCGHKJXOX-DOTOQJQBSA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1nocc1CNCC[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267893848 1276787919 /nfs/dbraw/zinc/78/79/19/1276787919.db2.gz WFZZKTHTTJUCFF-INIZCTEOSA-N 1 3 348.491 2.043 10 0 EEAEHO COCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001490420320 1291331279 /nfs/dbraw/zinc/33/12/79/1291331279.db2.gz WPWLPNOUIDCNLS-GOSISDBHSA-N 1 3 339.524 2.209 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)c(Cl)n1C ZINC000855345964 1293183435 /nfs/dbraw/zinc/18/34/35/1293183435.db2.gz LHHQSZBOXRAOCT-NSHDSACASA-N 1 3 349.306 2.334 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)c(Cl)n1C ZINC000855345964 1293183438 /nfs/dbraw/zinc/18/34/38/1293183438.db2.gz LHHQSZBOXRAOCT-NSHDSACASA-N 1 3 349.306 2.334 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCCN(C)CCC(F)(F)F ZINC001265880332 1323451783 /nfs/dbraw/zinc/45/17/83/1323451783.db2.gz FXVJSINENYPWIE-CQSZACIVSA-N 1 3 337.430 2.497 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCCN(C)CCC(F)(F)F ZINC001265880332 1323451784 /nfs/dbraw/zinc/45/17/84/1323451784.db2.gz FXVJSINENYPWIE-CQSZACIVSA-N 1 3 337.430 2.497 10 0 EEAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001277092510 1301235749 /nfs/dbraw/zinc/23/57/49/1301235749.db2.gz FMCSEVISIQSSBK-AAVRWANBSA-N 1 3 335.414 2.296 10 0 EEAEHO Cc1cc(CNCCC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)on1 ZINC001277314077 1302342853 /nfs/dbraw/zinc/34/28/53/1302342853.db2.gz MVQWVMHLUSTYOL-CQSZACIVSA-N 1 3 336.480 2.089 10 0 EEAEHO Cc1ncsc1CNC[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001277981657 1305562006 /nfs/dbraw/zinc/56/20/06/1305562006.db2.gz OCELDLMQHCBIKL-OAHLLOKOSA-N 1 3 338.521 2.264 10 0 EEAEHO CCOCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C(C)C)C2 ZINC001278342239 1309619079 /nfs/dbraw/zinc/61/90/79/1309619079.db2.gz TTZULSCWHGMWLC-IBGZPJMESA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C(C)C)C2 ZINC001278342239 1309619082 /nfs/dbraw/zinc/61/90/82/1309619082.db2.gz TTZULSCWHGMWLC-IBGZPJMESA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C(C)C)C2)cc1 ZINC001278424759 1310206792 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EEAEHO C[C@@H](O)CCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001495466284 1101176936 /nfs/dbraw/zinc/17/69/36/1101176936.db2.gz UPMRKRSQPSQRLL-BRWVUGGUSA-N 1 3 339.524 2.039 10 0 EEAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]CC[C@H]1CCOC1 ZINC001495667369 1101409589 /nfs/dbraw/zinc/40/95/89/1101409589.db2.gz QKZOAFJRMHRBAN-SJORKVTESA-N 1 3 339.524 2.019 10 0 EEAEHO Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)C2(N(C)C)CCC2)c(C)n1 ZINC001497206639 1102126817 /nfs/dbraw/zinc/12/68/17/1102126817.db2.gz VOEOGVDPTCGYCY-HNNXBMFYSA-N 1 3 332.492 2.167 10 0 EEAEHO CCCc1nc(C)c(CNCC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)o1 ZINC001497309198 1102293304 /nfs/dbraw/zinc/29/33/04/1102293304.db2.gz XPBUYYIAVBDFLR-AWEZNQCLSA-N 1 3 348.491 2.016 10 0 EEAEHO CCCN(C)CC(=O)N1CCC(C)([NH2+]CC[C@H]2CCCCO2)CC1 ZINC001447564578 1102872294 /nfs/dbraw/zinc/87/22/94/1102872294.db2.gz KTFSWMHVIJPFSL-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1)N(C)C ZINC001494324744 1103894853 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CCN1CCC(F)(F)[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001500617016 1112979592 /nfs/dbraw/zinc/97/95/92/1112979592.db2.gz OHLFXIFFJGIBPQ-OAHLLOKOSA-N 1 3 331.451 2.346 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](C/C=C/Cl)C3)CCC1 ZINC001501006324 1113163793 /nfs/dbraw/zinc/16/37/93/1113163793.db2.gz SNMVOLTUSFGJRG-XWHQDECPSA-N 1 3 325.884 2.192 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](C/C=C/Cl)C3)CCC1 ZINC001501006324 1113163796 /nfs/dbraw/zinc/16/37/96/1113163796.db2.gz SNMVOLTUSFGJRG-XWHQDECPSA-N 1 3 325.884 2.192 10 0 EEAEHO Cc1ccc(CN2C[C@@H]3CCCN(C(=O)CC[NH+](C)C)[C@@H]3C2)c(C)n1 ZINC001501422453 1113354226 /nfs/dbraw/zinc/35/42/26/1113354226.db2.gz QCIAQXSRVFEXFR-RBUKOAKNSA-N 1 3 344.503 2.073 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CCNCc3conc3C)C2)CC[N@@H+]1C ZINC001501568623 1113385642 /nfs/dbraw/zinc/38/56/42/1113385642.db2.gz NRHUYCDUAAFWKK-BPQIPLTHSA-N 1 3 348.491 2.042 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CCNCc3conc3C)C2)CC[N@H+]1C ZINC001501568623 1113385644 /nfs/dbraw/zinc/38/56/44/1113385644.db2.gz NRHUYCDUAAFWKK-BPQIPLTHSA-N 1 3 348.491 2.042 10 0 EEAEHO CN(CC(=O)N1CC[C@@H](CC[NH2+]CC2CC(F)(F)C2)C1)C1CCC1 ZINC001501579047 1113389660 /nfs/dbraw/zinc/38/96/60/1113389660.db2.gz WONGLSZVJRYNFY-CQSZACIVSA-N 1 3 343.462 2.344 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)o1 ZINC001501604789 1113397169 /nfs/dbraw/zinc/39/71/69/1113397169.db2.gz YLRPVKDLVHVIHK-SJORKVTESA-N 1 3 348.491 2.104 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001501640964 1113411523 /nfs/dbraw/zinc/41/15/23/1113411523.db2.gz NHXYNBHODJISMQ-MRXNPFEDSA-N 1 3 335.467 2.496 10 0 EEAEHO CCCN(C)CC(=O)N1CCC(C)([NH2+]Cc2ccc(F)cn2)CC1 ZINC001502805851 1113806353 /nfs/dbraw/zinc/80/63/53/1113806353.db2.gz XEOBURRMESAYJE-UHFFFAOYSA-N 1 3 336.455 2.033 10 0 EEAEHO Cc1ncc(CNC2(C)CCN(C(=O)CCC[NH+]3CCCC3)CC2)o1 ZINC001502810602 1113807577 /nfs/dbraw/zinc/80/75/77/1113807577.db2.gz ALSNKYXAAJSPEG-UHFFFAOYSA-N 1 3 348.491 2.330 10 0 EEAEHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)NCc2ccccn2)CC1 ZINC001505725779 1114153631 /nfs/dbraw/zinc/15/36/31/1114153631.db2.gz XMHDXBOMCWBSLS-CVEARBPZSA-N 1 3 332.492 2.185 10 0 EEAEHO Cc1cccc(OCC[NH2+][C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)c1 ZINC001507331690 1115196796 /nfs/dbraw/zinc/19/67/96/1115196796.db2.gz QOQMRIVLONEJDT-ZWKOTPCHSA-N 1 3 345.487 2.049 10 0 EEAEHO CN1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1nccs1)C(C)(C)C ZINC001507963999 1115381850 /nfs/dbraw/zinc/38/18/50/1115381850.db2.gz VBAVESGTHQCQBM-ZIAGYGMSSA-N 1 3 338.521 2.248 10 0 EEAEHO CN(C)C1(C(=O)NCC2=CC[N@H+](C[C@H]3CC(C)(C)CO3)CC2)CCC1 ZINC001508206838 1115445008 /nfs/dbraw/zinc/44/50/08/1115445008.db2.gz QHVTYHNHYCTINM-QGZVFWFLSA-N 1 3 349.519 2.034 10 0 EEAEHO CN(C)C1(C(=O)NCC2=CC[N@@H+](C[C@H]3CC(C)(C)CO3)CC2)CCC1 ZINC001508206838 1115445010 /nfs/dbraw/zinc/44/50/10/1115445010.db2.gz QHVTYHNHYCTINM-QGZVFWFLSA-N 1 3 349.519 2.034 10 0 EEAEHO CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C(F)(F)F ZINC001486252754 1193780045 /nfs/dbraw/zinc/78/00/45/1193780045.db2.gz IIZZPDPPGXKJJF-GXTWGEPZSA-N 1 3 335.414 2.107 10 0 EEAEHO Cc1ncoc1C[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001568386851 1124457435 /nfs/dbraw/zinc/45/74/35/1124457435.db2.gz LNADSTRYYWXLEF-KRWDZBQOSA-N 1 3 348.491 2.328 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CCNCc2cc(C)no2)C1 ZINC001568669572 1124684333 /nfs/dbraw/zinc/68/43/33/1124684333.db2.gz SMOIVQGJDVZIKA-ZBFHGGJFSA-N 1 3 336.480 2.089 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CCNCc2cc(C)no2)C1 ZINC001568669572 1124684336 /nfs/dbraw/zinc/68/43/36/1124684336.db2.gz SMOIVQGJDVZIKA-ZBFHGGJFSA-N 1 3 336.480 2.089 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103608584 219316995 /nfs/dbraw/zinc/31/69/95/219316995.db2.gz JWPHVJTUMACXOG-IBGZPJMESA-N 1 3 346.519 2.143 10 0 EEAEHO CN(C)CCN(Cc1ccccn1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426367991 241265903 /nfs/dbraw/zinc/26/59/03/241265903.db2.gz ZRNQNRONJIMPNB-UHFFFAOYSA-N 1 3 346.519 2.484 10 0 EEAEHO CNC(=O)C(C)(C)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000230136332 242237384 /nfs/dbraw/zinc/23/73/84/242237384.db2.gz GMKIHDQVUOEMGF-RCCFBDPRSA-N 1 3 329.488 2.259 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCC[C@H]1OC ZINC000339655149 285248477 /nfs/dbraw/zinc/24/84/77/285248477.db2.gz KBYFUAYFEPRKSC-FGTMMUONSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCC[C@H]1OC ZINC000339655149 285248478 /nfs/dbraw/zinc/24/84/78/285248478.db2.gz KBYFUAYFEPRKSC-FGTMMUONSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@H](C)N1CCN(c2ncc(Br)cc2C[NH3+])CC1 ZINC000055073594 132194028 /nfs/dbraw/zinc/19/40/28/132194028.db2.gz UCVFJDPAJHWESN-NSHDSACASA-N 1 3 327.270 2.223 10 0 EEAEHO CCn1cc(C2CC[NH+](CCCN3CCN(C(C)C)CC3)CC2)cn1 ZINC000191468769 152257094 /nfs/dbraw/zinc/25/70/94/152257094.db2.gz SCBFCKLPRSXHGR-UHFFFAOYSA-N 1 3 347.551 2.499 10 0 EEAEHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000248900589 160367535 /nfs/dbraw/zinc/36/75/35/160367535.db2.gz ACCZTOZDAFUZRZ-RTBURBONSA-N 1 3 346.519 2.489 10 0 EEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194191620 160190959 /nfs/dbraw/zinc/19/09/59/160190959.db2.gz PJVXLOYZEGBLKQ-SFHVURJKSA-N 1 3 338.540 2.480 10 0 EEAEHO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN2CCC[C@@H]2C1 ZINC000195336812 160211225 /nfs/dbraw/zinc/21/12/25/160211225.db2.gz NSTSCAKWDRMEIT-RBUKOAKNSA-N 1 3 327.472 2.205 10 0 EEAEHO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN2CCC[C@@H]2C1 ZINC000195336812 160211226 /nfs/dbraw/zinc/21/12/26/160211226.db2.gz NSTSCAKWDRMEIT-RBUKOAKNSA-N 1 3 327.472 2.205 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000245474134 160238568 /nfs/dbraw/zinc/23/85/68/160238568.db2.gz QQXWVQWKWPRITC-MOPGFXCFSA-N 1 3 346.519 2.285 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000245474134 160238569 /nfs/dbraw/zinc/23/85/69/160238569.db2.gz QQXWVQWKWPRITC-MOPGFXCFSA-N 1 3 346.519 2.285 10 0 EEAEHO CN(C)C[C@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000246659108 160289009 /nfs/dbraw/zinc/28/90/09/160289009.db2.gz KPFCOHNSPIPEIU-HIFRSBDPSA-N 1 3 330.394 2.492 10 0 EEAEHO CN(C)C[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000246659108 160289010 /nfs/dbraw/zinc/28/90/10/160289010.db2.gz KPFCOHNSPIPEIU-HIFRSBDPSA-N 1 3 330.394 2.492 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccccc1 ZINC000247985156 160335962 /nfs/dbraw/zinc/33/59/62/160335962.db2.gz IDYFZAPBQUUFJN-HCXYKTFWSA-N 1 3 342.487 2.310 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccccc1 ZINC000247985156 160335963 /nfs/dbraw/zinc/33/59/63/160335963.db2.gz IDYFZAPBQUUFJN-HCXYKTFWSA-N 1 3 342.487 2.310 10 0 EEAEHO CC(C)C[C@H]([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)C(=O)NCCN(C)C ZINC000344931245 161257074 /nfs/dbraw/zinc/25/70/74/161257074.db2.gz QCROVXZFOPMTMA-OTWHNJEPSA-N 1 3 331.504 2.472 10 0 EEAEHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000369547526 166283817 /nfs/dbraw/zinc/28/38/17/166283817.db2.gz BOLOZTNOHOWQRP-OFLPRAFFSA-N 1 3 336.524 2.423 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000340143362 277167452 /nfs/dbraw/zinc/16/74/52/277167452.db2.gz CRMFXWCLKZBHSF-XWSJACJDSA-N 1 3 342.487 2.358 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000340143362 277167453 /nfs/dbraw/zinc/16/74/53/277167453.db2.gz CRMFXWCLKZBHSF-XWSJACJDSA-N 1 3 342.487 2.358 10 0 EEAEHO C[NH+](C)C1CCC(NC(=O)Nc2ccc3c(c2F)CCNC3)CC1 ZINC000333230502 312115849 /nfs/dbraw/zinc/11/58/49/312115849.db2.gz BWLRWTQJQVDJNZ-UHFFFAOYSA-N 1 3 334.439 2.466 10 0 EEAEHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)C1 ZINC000414764115 313080434 /nfs/dbraw/zinc/08/04/34/313080434.db2.gz NYBMLRZPSDSTEV-KGLIPLIRSA-N 1 3 347.425 2.238 10 0 EEAEHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)C1 ZINC000414764115 313080437 /nfs/dbraw/zinc/08/04/37/313080437.db2.gz NYBMLRZPSDSTEV-KGLIPLIRSA-N 1 3 347.425 2.238 10 0 EEAEHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416838880 313330878 /nfs/dbraw/zinc/33/08/78/313330878.db2.gz JJADVVLKUCSUBG-HOTGVXAUSA-N 1 3 348.516 2.421 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000416847284 313335186 /nfs/dbraw/zinc/33/51/86/313335186.db2.gz VFXAPXQAMWVVQU-RBUKOAKNSA-N 1 3 344.503 2.388 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000541855803 318112013 /nfs/dbraw/zinc/11/20/13/318112013.db2.gz CPEGTZMACYBPIP-GOSISDBHSA-N 1 3 340.471 2.197 10 0 EEAEHO COCC[NH2+]C1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000569113807 319548043 /nfs/dbraw/zinc/54/80/43/319548043.db2.gz VXMFFVQCRGJFCV-UHFFFAOYSA-N 1 3 345.487 2.123 10 0 EEAEHO C[C@@H]1CN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000575354394 320102919 /nfs/dbraw/zinc/10/29/19/320102919.db2.gz MATJXLKVVQHRIN-KPFFTGBYSA-N 1 3 344.503 2.420 10 0 EEAEHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000576688937 320195096 /nfs/dbraw/zinc/19/50/96/320195096.db2.gz XJKDBCWLSGYKEH-YJBOKZPZSA-N 1 3 330.476 2.476 10 0 EEAEHO CN1CC[C@@H](NC(=O)NCC2([NH3+])CCCCC2)[C@@H]1c1ccccc1 ZINC000578306563 320305949 /nfs/dbraw/zinc/30/59/49/320305949.db2.gz UTGIIRAQNPQYLH-SJORKVTESA-N 1 3 330.476 2.393 10 0 EEAEHO [NH3+]C1CCC(OCC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000578885128 323729541 /nfs/dbraw/zinc/72/95/41/323729541.db2.gz GKCAYIJMSVVNPB-ACBHZAAOSA-N 1 3 345.487 2.226 10 0 EEAEHO C[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)N(C)Cc1ccccc1 ZINC000113620668 462607884 /nfs/dbraw/zinc/60/78/84/462607884.db2.gz ZVSIVRHTNOIUTN-ZIFCJYIRSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@H](CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C)N(C)Cc1ccccc1 ZINC000113620668 462607890 /nfs/dbraw/zinc/60/78/90/462607890.db2.gz ZVSIVRHTNOIUTN-ZIFCJYIRSA-N 1 3 344.503 2.385 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@]2(O)CCSC2)CC1 ZINC000088738912 462642519 /nfs/dbraw/zinc/64/25/19/462642519.db2.gz NZPMOKQWXMWZMG-LJQANCHMSA-N 1 3 349.544 2.176 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]CCc2cnn(C)c2)CC1 ZINC000151606671 463561061 /nfs/dbraw/zinc/56/10/61/463561061.db2.gz IDXHTJRXOBMRKV-UHFFFAOYSA-N 1 3 341.503 2.284 10 0 EEAEHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000179191544 464078088 /nfs/dbraw/zinc/07/80/88/464078088.db2.gz WQWXWXMHSKHKJB-BHIYHBOVSA-N 1 3 344.503 2.463 10 0 EEAEHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000179191544 464078089 /nfs/dbraw/zinc/07/80/89/464078089.db2.gz WQWXWXMHSKHKJB-BHIYHBOVSA-N 1 3 344.503 2.463 10 0 EEAEHO Cc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(OCCN(C)C)c1 ZINC000172502581 464093835 /nfs/dbraw/zinc/09/38/35/464093835.db2.gz KZCKGUAEJFJKGI-INIZCTEOSA-N 1 3 346.475 2.247 10 0 EEAEHO Cc1ccc(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)c(OCCN(C)C)c1 ZINC000172502581 464093841 /nfs/dbraw/zinc/09/38/41/464093841.db2.gz KZCKGUAEJFJKGI-INIZCTEOSA-N 1 3 346.475 2.247 10 0 EEAEHO CN(C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000263902978 464233057 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ZINC000656261148 471657531 /nfs/dbraw/zinc/65/75/31/471657531.db2.gz CVAPVYRKONJEII-IBGZPJMESA-N 1 3 333.524 2.067 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667731354 471884213 /nfs/dbraw/zinc/88/42/13/471884213.db2.gz QLQYYAYQDAZCCC-GOSISDBHSA-N 1 3 326.444 2.440 10 0 EEAEHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000667785738 471903913 /nfs/dbraw/zinc/90/39/13/471903913.db2.gz YTJJYTIWXUZIEQ-VQTJNVASSA-N 1 3 329.488 2.091 10 0 EEAEHO C[C@H](CN1CCCCC1)NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000667827762 471921036 /nfs/dbraw/zinc/92/10/36/471921036.db2.gz NJFPJLCLXOYUJT-CYBMUJFWSA-N 1 3 334.439 2.467 10 0 EEAEHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2C[C@H](C)N(C3CC3)C2)cc1F ZINC000665259655 471983159 /nfs/dbraw/zinc/98/31/59/471983159.db2.gz MIJDLPRMALDCRD-CJCBUOBESA-N 1 3 347.478 2.495 10 0 EEAEHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000665364242 472021164 /nfs/dbraw/zinc/02/11/64/472021164.db2.gz MQIDSDYTVIRIKR-IAGOWNOFSA-N 1 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472229137 /nfs/dbraw/zinc/22/91/37/472229137.db2.gz HKCUCKFNJWASDL-GOSISDBHSA-N 1 3 327.472 2.442 10 0 EEAEHO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc(C(C)(C)N)no1 ZINC000662794102 472254392 /nfs/dbraw/zinc/25/43/92/472254392.db2.gz XTTZLNTVLSJTHZ-UHFFFAOYSA-N 1 3 336.461 2.134 10 0 EEAEHO O=C(NCC1CCN(Cc2ccncc2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662858677 472280892 /nfs/dbraw/zinc/28/08/92/472280892.db2.gz JIAUWCWNIAYHSP-UHFFFAOYSA-N 1 3 342.487 2.085 10 0 EEAEHO CN(C)CCOc1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2)cc1 ZINC000673609456 485475203 /nfs/dbraw/zinc/47/52/03/485475203.db2.gz ZIBHAMMGIMMGIW-IBGZPJMESA-N 1 3 328.456 2.320 10 0 EEAEHO Cn1ncc2c1CCC[C@@H]2NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658141144 485570696 /nfs/dbraw/zinc/57/06/96/485570696.db2.gz RIAYTMBGOODXSJ-MJGOQNOKSA-N 1 3 340.471 2.154 10 0 EEAEHO Cn1ncc2c1CCC[C@@H]2NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658141144 485570700 /nfs/dbraw/zinc/57/07/00/485570700.db2.gz RIAYTMBGOODXSJ-MJGOQNOKSA-N 1 3 340.471 2.154 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000914189092 683349870 /nfs/dbraw/zinc/34/98/70/683349870.db2.gz IHZUIIBAGFJHNC-NJAFHUGGSA-N 1 3 330.476 2.043 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000914189092 683349876 /nfs/dbraw/zinc/34/98/76/683349876.db2.gz IHZUIIBAGFJHNC-NJAFHUGGSA-N 1 3 330.476 2.043 10 0 EEAEHO CC(C)CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001485645007 1191877678 /nfs/dbraw/zinc/87/76/78/1191877678.db2.gz SYOLEJOCKQVWLD-SJORKVTESA-N 1 3 341.540 2.216 10 0 EEAEHO C[C@@H](CCCNCC=C(Cl)Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001485743267 1191918477 /nfs/dbraw/zinc/91/84/77/1191918477.db2.gz CPDSANNHBSSVLJ-LBPRGKRZSA-N 1 3 334.291 2.276 10 0 EEAEHO Cc1cccnc1CN1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001266545288 1176804279 /nfs/dbraw/zinc/80/42/79/1176804279.db2.gz OUAJSSMLZSGFOK-QGZVFWFLSA-N 1 3 332.492 2.060 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccc(C)nc1C ZINC001266718563 1177269593 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CC(C)OCCC[N@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001283332146 1178026337 /nfs/dbraw/zinc/02/63/37/1178026337.db2.gz RAFRPEKTJCOSDD-QGZVFWFLSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)OCCC[N@@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001283332146 1178026346 /nfs/dbraw/zinc/02/63/46/1178026346.db2.gz RAFRPEKTJCOSDD-QGZVFWFLSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001267004650 1178065899 /nfs/dbraw/zinc/06/58/99/1178065899.db2.gz GHUFTPGEMUWOKN-LJQANCHMSA-N 1 3 331.504 2.310 10 0 EEAEHO CC(C)OCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001267494517 1179172430 /nfs/dbraw/zinc/17/24/30/1179172430.db2.gz VUJUSLHUVGBHRE-FUHWJXTLSA-N 1 3 341.540 2.214 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001481380832 1181163512 /nfs/dbraw/zinc/16/35/12/1181163512.db2.gz UDYCTFRPKDSOLQ-BBWFWOEESA-N 1 3 327.488 2.388 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001481380832 1181163515 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EEAEHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]CCOc1ccccc1)C1CCC1 ZINC001270067174 1184822487 /nfs/dbraw/zinc/82/24/87/1184822487.db2.gz RKJQTQWZPSXHPE-GOSISDBHSA-N 1 3 345.487 2.130 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC001270579804 1185183661 /nfs/dbraw/zinc/18/36/61/1185183661.db2.gz XIDDZUAHSOOFIF-WUKHSURWSA-N 1 3 326.444 2.316 10 0 EEAEHO C[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CN1Cc1ccccc1 ZINC000290427215 1185526654 /nfs/dbraw/zinc/52/66/54/1185526654.db2.gz GVOUORGUURDJTL-PBWTXFEYSA-N 1 3 329.488 2.496 10 0 EEAEHO C[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CN1Cc1ccccc1 ZINC000290427215 1185526656 /nfs/dbraw/zinc/52/66/56/1185526656.db2.gz GVOUORGUURDJTL-PBWTXFEYSA-N 1 3 329.488 2.496 10 0 EEAEHO Cc1cc(C)cc(OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001270923083 1185743464 /nfs/dbraw/zinc/74/34/64/1185743464.db2.gz YNPCIFMPYVDVDD-MJGOQNOKSA-N 1 3 347.503 2.213 10 0 EEAEHO C[C@@H]([NH2+]CCCF)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001482479883 1186056365 /nfs/dbraw/zinc/05/63/65/1186056365.db2.gz KXLCEYVBVTXGGH-SJORKVTESA-N 1 3 327.488 2.295 10 0 EEAEHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CCC(F)(F)F ZINC001271629553 1186343634 /nfs/dbraw/zinc/34/36/34/1186343634.db2.gz PEYXAAXIWWJWJJ-STQMWFEESA-N 1 3 335.414 2.107 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)cc1F)N(C)C ZINC001482847180 1187765763 /nfs/dbraw/zinc/76/57/63/1187765763.db2.gz QDCQDAMTTKWZOS-BLLLJJGKSA-N 1 3 327.419 2.289 10 0 EEAEHO CCN(CC[NH2+]CC[C@@H]1CCOC1)C(=O)[C@H]1CCCCN1C(C)C ZINC001482955475 1187882143 /nfs/dbraw/zinc/88/21/43/1187882143.db2.gz LDKBUYLLLHOQDT-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cncc(CN[C@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001485886331 1193629814 /nfs/dbraw/zinc/62/98/14/1193629814.db2.gz UWFWGZYNUMDYGA-AEFFLSMTSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1cncc(CN[C@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)c1 ZINC001485886331 1193629816 /nfs/dbraw/zinc/62/98/16/1193629816.db2.gz UWFWGZYNUMDYGA-AEFFLSMTSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1ncoc1C[NH2+][C@@H](CCN(C)C(=O)CN1CCCC1)C(C)C ZINC001409758368 1190248095 /nfs/dbraw/zinc/24/80/95/1190248095.db2.gz CNACPBVAHZRNRQ-INIZCTEOSA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1nocc1CNCCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001483512229 1190525506 /nfs/dbraw/zinc/52/55/06/1190525506.db2.gz SKEXBAMZRQCZII-QGZVFWFLSA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2CC2)c(C)n1 ZINC001483567924 1190557447 /nfs/dbraw/zinc/55/74/47/1190557447.db2.gz WEGDDLVDMDRROT-MOPGFXCFSA-N 1 3 346.519 2.269 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1cc(F)ccc1C)C1CC1)N(C)C ZINC001483599962 1190579846 /nfs/dbraw/zinc/57/98/46/1190579846.db2.gz AIGMAVHJZBUENB-QZTJIDSGSA-N 1 3 335.467 2.459 10 0 EEAEHO CCOCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001691637105 1190746908 /nfs/dbraw/zinc/74/69/08/1190746908.db2.gz SJIGXORXLTWMTR-IRXDYDNUSA-N 1 3 327.513 2.114 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@H](CC[NH2+]Cc3ccsc3)C2)C1 ZINC001272564173 1190879290 /nfs/dbraw/zinc/87/92/90/1190879290.db2.gz FWMWQJAWNOBITK-CVEARBPZSA-N 1 3 335.517 2.418 10 0 EEAEHO Cc1ccncc1CNC1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001483744322 1190896433 /nfs/dbraw/zinc/89/64/33/1190896433.db2.gz UQDWKYYDKRLUSM-QZTJIDSGSA-N 1 3 342.487 2.145 10 0 EEAEHO Cc1ccncc1CNC1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001483744322 1190896435 /nfs/dbraw/zinc/89/64/35/1190896435.db2.gz UQDWKYYDKRLUSM-QZTJIDSGSA-N 1 3 342.487 2.145 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2cnccc2C)C1 ZINC001272624950 1190936873 /nfs/dbraw/zinc/93/68/73/1190936873.db2.gz QWVWVKGOQWDQGK-QGZVFWFLSA-N 1 3 332.492 2.060 10 0 EEAEHO Cc1nocc1CNCC[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001272652500 1190961770 /nfs/dbraw/zinc/96/17/70/1190961770.db2.gz LBKGVQNSPPXHRB-KRWDZBQOSA-N 1 3 348.491 2.187 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC[C@@H](C)F)C2 ZINC001483832983 1191070385 /nfs/dbraw/zinc/07/03/85/1191070385.db2.gz RQBBFGDKHJGLMX-SJLPKXTDSA-N 1 3 327.488 2.389 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC[C@@H](C)F)C2 ZINC001483832983 1191070388 /nfs/dbraw/zinc/07/03/88/1191070388.db2.gz RQBBFGDKHJGLMX-SJLPKXTDSA-N 1 3 327.488 2.389 10 0 EEAEHO Cc1ncccc1CN1CCC(C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001483973658 1191137369 /nfs/dbraw/zinc/13/73/69/1191137369.db2.gz CGADLAZFOHFVOX-KRWDZBQOSA-N 1 3 344.503 2.203 10 0 EEAEHO Cc1ncccc1CN1CCC(C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001483973658 1191137370 /nfs/dbraw/zinc/13/73/70/1191137370.db2.gz CGADLAZFOHFVOX-KRWDZBQOSA-N 1 3 344.503 2.203 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001484512166 1191390472 /nfs/dbraw/zinc/39/04/72/1191390472.db2.gz DDLVOBURBROBEW-WMZOPIPTSA-N 1 3 333.451 2.248 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCCCOC)CC1 ZINC001484717380 1191481060 /nfs/dbraw/zinc/48/10/60/1191481060.db2.gz WLENKWYARSSHKX-ZWKOTPCHSA-N 1 3 339.524 2.258 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCCCOC)CC1 ZINC001484717380 1191481062 /nfs/dbraw/zinc/48/10/62/1191481062.db2.gz WLENKWYARSSHKX-ZWKOTPCHSA-N 1 3 339.524 2.258 10 0 EEAEHO C[NH+](C)CCCCC(=O)N1CCCC[C@H]1CNCc1ccccn1 ZINC001485041199 1191622763 /nfs/dbraw/zinc/62/27/63/1191622763.db2.gz YKQANSFNDXSMOV-SFHVURJKSA-N 1 3 332.492 2.284 10 0 EEAEHO CCCCOCCN(C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485055315 1191628678 /nfs/dbraw/zinc/62/86/78/1191628678.db2.gz JNMYERTVFNOVNL-KZNAEPCWSA-N 1 3 339.524 2.066 10 0 EEAEHO CCCCOCCN(C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485055315 1191628680 /nfs/dbraw/zinc/62/86/80/1191628680.db2.gz JNMYERTVFNOVNL-KZNAEPCWSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1ncc(CN[C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001485181893 1191679715 /nfs/dbraw/zinc/67/97/15/1191679715.db2.gz UESDBUWCASCGNU-OLZOCXBDSA-N 1 3 338.521 2.309 10 0 EEAEHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001485347317 1191749318 /nfs/dbraw/zinc/74/93/18/1191749318.db2.gz HEAAMPCMUWVOND-STQMWFEESA-N 1 3 327.419 2.414 10 0 EEAEHO C[C@H](c1cccc(F)c1)N(C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001485375790 1191764563 /nfs/dbraw/zinc/76/45/63/1191764563.db2.gz AFULCCLXQNUXNL-LSDHHAIUSA-N 1 3 333.451 2.419 10 0 EEAEHO COC[C@H](C)N1CC([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001485513649 1191816309 /nfs/dbraw/zinc/81/63/09/1191816309.db2.gz UQTJBTOQIWEPHO-LSDHHAIUSA-N 1 3 339.524 2.111 10 0 EEAEHO COC[C@H](C)N1CC([C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001485513649 1191816310 /nfs/dbraw/zinc/81/63/10/1191816310.db2.gz UQTJBTOQIWEPHO-LSDHHAIUSA-N 1 3 339.524 2.111 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCC(C)(C)C ZINC001486359292 1193844438 /nfs/dbraw/zinc/84/44/38/1193844438.db2.gz TZRLYNVXRZLXJH-DLBZAZTESA-N 1 3 341.540 2.048 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCC(C)(C)C ZINC001486359292 1193844440 /nfs/dbraw/zinc/84/44/40/1193844440.db2.gz TZRLYNVXRZLXJH-DLBZAZTESA-N 1 3 341.540 2.048 10 0 EEAEHO Cc1nsc(C)c1C[NH2+]CC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001273018595 1194325676 /nfs/dbraw/zinc/32/56/76/1194325676.db2.gz MUNKYSWEURYSRF-OLZOCXBDSA-N 1 3 338.521 2.086 10 0 EEAEHO COCCC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001273025565 1194332949 /nfs/dbraw/zinc/33/29/49/1194332949.db2.gz XJMAPNCPRIWHFW-LJQANCHMSA-N 1 3 347.503 2.369 10 0 EEAEHO C[NH+](C)CCC(=O)N1C[C@@]2(C)CN(Cc3ccc(F)cc3)C[C@@]2(C)C1 ZINC001410191576 1197594976 /nfs/dbraw/zinc/59/49/76/1197594976.db2.gz WRELPZLOWGUGCU-BGYRXZFFSA-N 1 3 347.478 2.448 10 0 EEAEHO CC(C)[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)NCc1ccon1 ZINC001410255481 1197640291 /nfs/dbraw/zinc/64/02/91/1197640291.db2.gz WHTFSEHLAQCWDR-SJORKVTESA-N 1 3 336.480 2.168 10 0 EEAEHO CC(C)[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)NCc1ccon1 ZINC001410255481 1197640293 /nfs/dbraw/zinc/64/02/93/1197640293.db2.gz WHTFSEHLAQCWDR-SJORKVTESA-N 1 3 336.480 2.168 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1N(Cc1cncc(C)c1)CC2 ZINC001410890279 1198544747 /nfs/dbraw/zinc/54/47/47/1198544747.db2.gz BLEABPMPLPRNDO-AZUAARDMSA-N 1 3 344.503 2.345 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1N(Cc1cncc(C)c1)CC2 ZINC001410890279 1198544750 /nfs/dbraw/zinc/54/47/50/1198544750.db2.gz BLEABPMPLPRNDO-AZUAARDMSA-N 1 3 344.503 2.345 10 0 EEAEHO COc1ccc(CN2CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]2C)cc1C ZINC001411068729 1198751453 /nfs/dbraw/zinc/75/14/53/1198751453.db2.gz LWBQFWTXLXSEEX-FUHWJXTLSA-N 1 3 347.503 2.424 10 0 EEAEHO CC(C)CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001411170798 1198860026 /nfs/dbraw/zinc/86/00/26/1198860026.db2.gz PSFWCHHHCFFBHP-QGZVFWFLSA-N 1 3 341.540 2.048 10 0 EEAEHO CC(C)CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001411170798 1198860029 /nfs/dbraw/zinc/86/00/29/1198860029.db2.gz PSFWCHHHCFFBHP-QGZVFWFLSA-N 1 3 341.540 2.048 10 0 EEAEHO C[C@H]1C[C@@H](NC(=O)CCC23CC(C2)C[NH2+]3)CN1Cc1ccccc1 ZINC000870907574 1200943575 /nfs/dbraw/zinc/94/35/75/1200943575.db2.gz ZBNREWPKCWECIN-DGZYCVBISA-N 1 3 327.472 2.298 10 0 EEAEHO CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C(C)(C)C1 ZINC001274437871 1205036018 /nfs/dbraw/zinc/03/60/18/1205036018.db2.gz YCNXLGKFUQCEEE-SJORKVTESA-N 1 3 339.524 2.112 10 0 EEAEHO CCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C(C)(C)C1 ZINC001274437871 1205036020 /nfs/dbraw/zinc/03/60/20/1205036020.db2.gz YCNXLGKFUQCEEE-SJORKVTESA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1ccc(CNC/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C)c(C)n1 ZINC001274519305 1205065553 /nfs/dbraw/zinc/06/55/53/1205065553.db2.gz PZMJEEBZPIPELJ-JTHGQSKGSA-N 1 3 332.492 2.047 10 0 EEAEHO COc1ccc(C)cc1C[NH2+]CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001276226136 1205843702 /nfs/dbraw/zinc/84/37/02/1205843702.db2.gz CHKRWCKNCIHKNM-QGZVFWFLSA-N 1 3 347.503 2.284 10 0 EEAEHO CC1CCN(CC(=O)N(C)CCC[NH2+]CC[C@@H]2CCCCO2)CC1 ZINC001276298716 1205873680 /nfs/dbraw/zinc/87/36/80/1205873680.db2.gz ZZBSSJRVRHKDJG-SFHVURJKSA-N 1 3 339.524 2.116 10 0 EEAEHO CCOc1ccccc1[C@@H](C)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858948 1206162081 /nfs/dbraw/zinc/16/20/81/1206162081.db2.gz XBEMKEGQEXAHIB-CABCVRRESA-N 1 3 332.444 2.421 10 0 EEAEHO c1ccc2c(c1)CCO[C@@H]2CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925880330 1206163524 /nfs/dbraw/zinc/16/35/24/1206163524.db2.gz JNEIGHUAULPFOR-MTQWCTHYSA-N 1 3 330.472 2.437 10 0 EEAEHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C[C@@H](C)O1 ZINC000900980333 1235074297 /nfs/dbraw/zinc/07/42/97/1235074297.db2.gz JXNOAHIJGJDSLL-BDXSIMOUSA-N 1 3 337.508 2.009 10 0 EEAEHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C[C@@H](C)O1 ZINC000900980333 1235074298 /nfs/dbraw/zinc/07/42/98/1235074298.db2.gz JXNOAHIJGJDSLL-BDXSIMOUSA-N 1 3 337.508 2.009 10 0 EEAEHO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900994329 1235087582 /nfs/dbraw/zinc/08/75/82/1235087582.db2.gz PPPYQXIVZMXJSA-KRWDZBQOSA-N 1 3 346.475 2.377 10 0 EEAEHO COc1cccc2c1CC[C@H]2NC[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903921887 1242511001 /nfs/dbraw/zinc/51/10/01/1242511001.db2.gz SDLCOOXMQNRDGJ-KBXCAEBGSA-N 1 3 328.460 2.132 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN[C@H]2c3ccccc3NC2(C)C)cnn1C ZINC000903947540 1242659189 /nfs/dbraw/zinc/65/91/89/1242659189.db2.gz AFJKQNBWKRQSLP-KDOFPFPSSA-N 1 3 327.476 2.381 10 0 EEAEHO CCS(=O)(=O)c1c(Cl)cccc1CNCC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978643 1242834778 /nfs/dbraw/zinc/83/47/78/1242834778.db2.gz JAZNXKCMJJAWMT-CHWSQXEVSA-N 1 3 344.908 2.469 10 0 EEAEHO C[NH+](C)CCCCC(=O)NC[C@@H]1CCCCN1C[C@H]1CCCCO1 ZINC001491231096 1258833063 /nfs/dbraw/zinc/83/30/63/1258833063.db2.gz RDFINLINFDKNJL-ZWKOTPCHSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001491478587 1259129520 /nfs/dbraw/zinc/12/95/20/1259129520.db2.gz QWGGATHDSXYQOS-KGLIPLIRSA-N 1 3 331.451 2.391 10 0 EEAEHO Cn1ncc(CNCC2CC[NH+](C3CCOCC3)CC2)c1Cl ZINC000850344419 1277189154 /nfs/dbraw/zinc/18/91/54/1277189154.db2.gz IABIKQZYGCFHCX-UHFFFAOYSA-N 1 3 326.872 2.054 10 0 EEAEHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCCc4n[nH]cc43)cc2)C1 ZINC000850506659 1277252922 /nfs/dbraw/zinc/25/29/22/1277252922.db2.gz BPOFYMDQIJADMU-AEFFLSMTSA-N 1 3 326.444 2.144 10 0 EEAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCCc4n[nH]cc43)cc2)C1 ZINC000850506659 1277252923 /nfs/dbraw/zinc/25/29/23/1277252923.db2.gz BPOFYMDQIJADMU-AEFFLSMTSA-N 1 3 326.444 2.144 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)N(CCc1ccccc1)CCN(C)C ZINC000851681564 1277716824 /nfs/dbraw/zinc/71/68/24/1277716824.db2.gz PTTQECNEXZHOJG-GOSISDBHSA-N 1 3 334.508 2.176 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001488961612 1290290773 /nfs/dbraw/zinc/29/07/73/1290290773.db2.gz JSLARUYTHNAXFE-DZGCQCFKSA-N 1 3 331.451 2.248 10 0 EEAEHO CCOCCN1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001490422770 1291334805 /nfs/dbraw/zinc/33/48/05/1291334805.db2.gz SLPVHUOPWOUMQC-SJLPKXTDSA-N 1 3 339.524 2.066 10 0 EEAEHO CSc1nnc(CCCN[C@H]2C[C@H]([NH3+])C23CCC3)n1CC(C)C ZINC000925487696 1292202978 /nfs/dbraw/zinc/20/29/78/1292202978.db2.gz NXOYEFOTKDYFIM-KBPBESRZSA-N 1 3 337.537 2.448 10 0 EEAEHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CCCc2ccccc2)C1 ZINC001279208961 1301729830 /nfs/dbraw/zinc/72/98/30/1301729830.db2.gz MOKHMCNPQCTWGN-CTWPCTMYSA-N 1 3 329.488 2.292 10 0 EEAEHO CC[C@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CCCOC)C2)C1)N(C)C ZINC001278335390 1309542151 /nfs/dbraw/zinc/54/21/51/1309542151.db2.gz JHQLDKSMDQKMBQ-MJGOQNOKSA-N 1 3 339.524 2.068 10 0 EEAEHO CC[C@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CCCOC)C2)C1)N(C)C ZINC001278335390 1309542155 /nfs/dbraw/zinc/54/21/55/1309542155.db2.gz JHQLDKSMDQKMBQ-MJGOQNOKSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1cc([C@@H]([NH3+])CC(=O)Nc2cnc3c(c2)CNCC3)cc(Cl)n1 ZINC000841849248 1315622753 /nfs/dbraw/zinc/62/27/53/1315622753.db2.gz DUOHRRGXLGZVFM-AWEZNQCLSA-N 1 3 345.834 2.113 10 0 EEAEHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCOC2CCC2)C1)N(C)C ZINC001264126156 1322635388 /nfs/dbraw/zinc/63/53/88/1322635388.db2.gz RRZFWCSKHZIFRB-SJLPKXTDSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001265456497 1323164867 /nfs/dbraw/zinc/16/48/67/1323164867.db2.gz WGCXINFDKGLZAA-HKUYNNGSSA-N 1 3 347.503 2.151 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCCc3cccc(F)c3)C2)C1 ZINC001265557777 1323218490 /nfs/dbraw/zinc/21/84/90/1323218490.db2.gz FMYPKVXQNJURJY-LZQZEXGQSA-N 1 3 347.478 2.337 10 0 EEAEHO Cc1cccc(OCC[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C(C)C)C2)c1 ZINC001284031137 1326371565 /nfs/dbraw/zinc/37/15/65/1326371565.db2.gz JBLRATMKZCMBCI-ROUUACIJSA-N 1 3 347.503 2.293 10 0 EEAEHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccncc1Cl ZINC001492082545 1330991027 /nfs/dbraw/zinc/99/10/27/1330991027.db2.gz DBXXBAGGLYQITN-UONOGXRCSA-N 1 3 338.883 2.061 10 0 EEAEHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cnc(C)o1)N(C)C ZINC001492175794 1331053716 /nfs/dbraw/zinc/05/37/16/1331053716.db2.gz LMRYQEKYIJXAQY-RDJZCZTQSA-N 1 3 336.480 2.184 10 0 EEAEHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@H+]1Cc1cnc(C)o1)N(C)C ZINC001492175794 1331053720 /nfs/dbraw/zinc/05/37/20/1331053720.db2.gz LMRYQEKYIJXAQY-RDJZCZTQSA-N 1 3 336.480 2.184 10 0 EEAEHO CCOCCN(C)C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001316804495 1331836030 /nfs/dbraw/zinc/83/60/30/1331836030.db2.gz NVRJIYKJNGLLCG-SFHVURJKSA-N 1 3 339.524 2.068 10 0 EEAEHO CCN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@H](C)c1cnc(C)cn1 ZINC001316907251 1331973086 /nfs/dbraw/zinc/97/30/86/1331973086.db2.gz LCNKUXRNOOGHJB-IAGOWNOFSA-N 1 3 347.507 2.016 10 0 EEAEHO CCN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@H](C)c1cnc(C)cn1 ZINC001316907251 1331973088 /nfs/dbraw/zinc/97/30/88/1331973088.db2.gz LCNKUXRNOOGHJB-IAGOWNOFSA-N 1 3 347.507 2.016 10 0 EEAEHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CCCCCF)C2)CC1 ZINC001317339252 1332185370 /nfs/dbraw/zinc/18/53/70/1332185370.db2.gz UYPURRFMALLJIJ-QGZVFWFLSA-N 1 3 327.488 2.296 10 0 EEAEHO Cc1ncc(CN2CCC[C@H]2CCCNC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001317429384 1332233004 /nfs/dbraw/zinc/23/30/04/1332233004.db2.gz IIBOEITYZYFPJX-MRXNPFEDSA-N 1 3 348.491 2.186 10 0 EEAEHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCNCc1ccc(Cl)nc1 ZINC001317668429 1332361019 /nfs/dbraw/zinc/36/10/19/1332361019.db2.gz ASTNAENOZYZCHO-KBPBESRZSA-N 1 3 338.883 2.156 10 0 EEAEHO C[C@H](CCNCc1ccc(F)cn1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001320463043 1332889156 /nfs/dbraw/zinc/88/91/56/1332889156.db2.gz DFYAFSPTXXOBQU-OAHLLOKOSA-N 1 3 348.466 2.081 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC(F)(F)C1 ZINC001320643959 1332927643 /nfs/dbraw/zinc/92/76/43/1332927643.db2.gz ICKJQHMHXYOADD-DZGCQCFKSA-N 1 3 331.451 2.391 10 0 EEAEHO CCN(CCNCc1cccnc1C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001320862128 1332966800 /nfs/dbraw/zinc/96/68/00/1332966800.db2.gz GFTJHYMZEODWRD-MOPGFXCFSA-N 1 3 344.503 2.345 10 0 EEAEHO CCN(CCNCc1cccnc1C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001320862128 1332966802 /nfs/dbraw/zinc/96/68/02/1332966802.db2.gz GFTJHYMZEODWRD-MOPGFXCFSA-N 1 3 344.503 2.345 10 0 EEAEHO Cc1ccc(F)cc1CNC/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001321220783 1333047973 /nfs/dbraw/zinc/04/79/73/1333047973.db2.gz DMWOKUOJBVVGHF-ARJAWSKDSA-N 1 3 333.451 2.238 10 0 EEAEHO CC1CCN(CC(=O)N(C)CCC[NH2+]Cc2ccc(F)cc2)CC1 ZINC001322756419 1333320584 /nfs/dbraw/zinc/32/05/84/1333320584.db2.gz MMISTTQRCGTJOD-UHFFFAOYSA-N 1 3 335.467 2.496 10 0 EEAEHO CC[C@H](C(=O)N(C)CCC[NH2+]Cc1cccc(F)c1F)N(C)C ZINC001322792008 1333327236 /nfs/dbraw/zinc/32/72/36/1333327236.db2.gz GNSZQWDWAHOSQU-OAHLLOKOSA-N 1 3 327.419 2.243 10 0 EEAEHO COCCCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H](C)C1 ZINC001324092122 1333607394 /nfs/dbraw/zinc/60/73/94/1333607394.db2.gz YNPCMXLMQRRZRL-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C[C@@H]1C ZINC001328281488 1334435847 /nfs/dbraw/zinc/43/58/47/1334435847.db2.gz DBYZJLVBBHOHAS-HOCLYGCPSA-N 1 3 336.480 2.046 10 0 EEAEHO COCCCCC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C[C@@H]1C ZINC001328281488 1334435848 /nfs/dbraw/zinc/43/58/48/1334435848.db2.gz DBYZJLVBBHOHAS-HOCLYGCPSA-N 1 3 336.480 2.046 10 0 EEAEHO Cc1nocc1CN(C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001331069429 1334957175 /nfs/dbraw/zinc/95/71/75/1334957175.db2.gz XVWKQHRKASXHPU-UHFFFAOYSA-N 1 3 336.480 2.138 10 0 EEAEHO Cc1ccncc1CN(C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001479815542 1337396034 /nfs/dbraw/zinc/39/60/34/1337396034.db2.gz JJOUFPSCGTYIBA-IRXDYDNUSA-N 1 3 332.492 2.201 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cccnc3F)CC2)CC1 ZINC000848019834 1338451981 /nfs/dbraw/zinc/45/19/81/1338451981.db2.gz DRDCBFYXEPKJRV-UHFFFAOYSA-N 1 3 348.466 2.033 10 0 EEAEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc2ccccc2n1 ZINC000849074042 1338835768 /nfs/dbraw/zinc/83/57/68/1338835768.db2.gz ZLQUBIQOQGXXMX-QGZVFWFLSA-N 1 3 325.460 2.376 10 0 EEAEHO CCC1([NH2+]CC2CC(F)(F)C2)CCN(C(=O)CN2CCCC2)CC1 ZINC001502515777 1342201507 /nfs/dbraw/zinc/20/15/07/1342201507.db2.gz MVNCIJUUXQNZAY-UHFFFAOYSA-N 1 3 343.462 2.488 10 0 EEAEHO Cc1ncoc1C[NH2+]CC[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001570009471 1342998268 /nfs/dbraw/zinc/99/82/68/1342998268.db2.gz GVAIQHUSNWXDFK-KRWDZBQOSA-N 1 3 348.491 2.043 10 0 EEAEHO CN(C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C)C[C@H]1CCCCO1 ZINC001570543854 1343080176 /nfs/dbraw/zinc/08/01/76/1343080176.db2.gz OGBWDEMEGBCJIH-ZWKOTPCHSA-N 1 3 339.524 2.210 10 0 EEAEHO COCCCC[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001676423336 1357148426 /nfs/dbraw/zinc/14/84/26/1357148426.db2.gz DIDQQBPWFKNEGV-CRAIPNDOSA-N 1 3 345.503 2.062 10 0 EEAEHO COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CC1(C)C ZINC001676999110 1357258733 /nfs/dbraw/zinc/25/87/33/1357258733.db2.gz RLJWZXUEMYJUNN-DLBZAZTESA-N 1 3 339.524 2.112 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@H](CNCc1ccnc(Cl)c1)C(C)(C)C ZINC001677282580 1357307384 /nfs/dbraw/zinc/30/73/84/1357307384.db2.gz WAJZXXHLCBIVNV-CQSZACIVSA-N 1 3 340.899 2.307 10 0 EEAEHO C[NH+](C)CC1(C(=O)NCC2=CCN(Cc3ccccc3)CC2)CC1 ZINC001677594378 1357367479 /nfs/dbraw/zinc/36/74/79/1357367479.db2.gz LQVWVXKGYJHCEA-UHFFFAOYSA-N 1 3 327.472 2.277 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cncs1 ZINC001649469463 1353523015 /nfs/dbraw/zinc/52/30/15/1353523015.db2.gz GOLRIKPULIUCTN-ZBFHGGJFSA-N 1 3 338.521 2.392 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCOC ZINC001661530477 1354650660 /nfs/dbraw/zinc/65/06/60/1354650660.db2.gz RSAXHPCLMGUJEU-HQSKLWIPSA-N 1 3 337.508 2.009 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCOC ZINC001661530477 1354650663 /nfs/dbraw/zinc/65/06/63/1354650663.db2.gz RSAXHPCLMGUJEU-HQSKLWIPSA-N 1 3 337.508 2.009 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[NH2+]CCCc1ccccc1C ZINC001662398496 1354791174 /nfs/dbraw/zinc/79/11/74/1354791174.db2.gz CIDSIIHKFHRHTH-OAHLLOKOSA-N 1 3 328.460 2.296 10 0 EEAEHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCc1ccnc(Cl)c1 ZINC001665838988 1355397804 /nfs/dbraw/zinc/39/78/04/1355397804.db2.gz JIHXIOGEGCJIGS-HNNXBMFYSA-N 1 3 338.883 2.061 10 0 EEAEHO Cc1cncc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001666092912 1355447960 /nfs/dbraw/zinc/44/79/60/1355447960.db2.gz KMOMHKPZAIXYHR-HKUYNNGSSA-N 1 3 344.503 2.203 10 0 EEAEHO COc1ccccc1CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001666869867 1355605896 /nfs/dbraw/zinc/60/58/96/1355605896.db2.gz FTEMKOGNKSFLEV-WMZOPIPTSA-N 1 3 347.503 2.159 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC(F)(F)C1 ZINC001668059902 1355859361 /nfs/dbraw/zinc/85/93/61/1355859361.db2.gz KXGDDXKKDWDMFD-ZFWWWQNUSA-N 1 3 331.451 2.389 10 0 EEAEHO CC[C@H](F)CNC/C=C/CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001669040177 1356074770 /nfs/dbraw/zinc/07/47/70/1356074770.db2.gz USHCKNHXYNYOKN-PRDNVKDRSA-N 1 3 331.451 2.209 10 0 EEAEHO CC[C@H](F)CNC/C=C/CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001669040177 1356074774 /nfs/dbraw/zinc/07/47/74/1356074774.db2.gz USHCKNHXYNYOKN-PRDNVKDRSA-N 1 3 331.451 2.209 10 0 EEAEHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNCc1ccc(C)nc1C ZINC001669206769 1356124760 /nfs/dbraw/zinc/12/47/60/1356124760.db2.gz HIYJZNFCLDAPIL-OVKVCFKUSA-N 1 3 344.503 2.335 10 0 EEAEHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNCc1ccc(C)nc1C ZINC001669206769 1356124764 /nfs/dbraw/zinc/12/47/64/1356124764.db2.gz HIYJZNFCLDAPIL-OVKVCFKUSA-N 1 3 344.503 2.335 10 0 EEAEHO C[C@H](C[NH2+]CCCCCF)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001669399861 1356155101 /nfs/dbraw/zinc/15/51/01/1356155101.db2.gz QVRAQMMNAPDFOS-RHSMWYFYSA-N 1 3 333.467 2.433 10 0 EEAEHO C[C@@H](C[NH2+]CCCCCF)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001669665144 1356191445 /nfs/dbraw/zinc/19/14/45/1356191445.db2.gz QVRAQMMNAPDFOS-WMLDXEAASA-N 1 3 333.467 2.433 10 0 EEAEHO COCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001672536387 1356548263 /nfs/dbraw/zinc/54/82/63/1356548263.db2.gz AJHRJLRHHKBKAS-CVEARBPZSA-N 1 3 348.491 2.179 10 0 EEAEHO COCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001672536387 1356548267 /nfs/dbraw/zinc/54/82/67/1356548267.db2.gz AJHRJLRHHKBKAS-CVEARBPZSA-N 1 3 348.491 2.179 10 0 EEAEHO Cc1ccncc1C[NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001672805253 1356588443 /nfs/dbraw/zinc/58/84/43/1356588443.db2.gz LKJIKQYPRJZEGX-QGZVFWFLSA-N 1 3 344.503 2.203 10 0 EEAEHO Cc1oncc1CNCC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001672840879 1356597946 /nfs/dbraw/zinc/59/79/46/1356597946.db2.gz ZNMFAZHVEVPMLN-MRXNPFEDSA-N 1 3 348.491 2.186 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC[C@@H]2CCCO2)CC1)N(C)C ZINC001672991311 1356628082 /nfs/dbraw/zinc/62/80/82/1356628082.db2.gz WVNQESKCGLZCPN-XSLAGTTESA-N 1 3 339.524 2.160 10 0 EEAEHO CC[C@H](C(=O)N1CCC2(CC1)CC[NH+](CCCOC)CC2)N(C)C ZINC001674294701 1356814811 /nfs/dbraw/zinc/81/48/11/1356814811.db2.gz SFAVFNMJMUCNHC-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO C[C@H](CCNCc1ccncc1Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699102076 1405255236 /nfs/dbraw/zinc/25/52/36/1405255236.db2.gz GPARYYFMMSYTKN-UMVBOHGHSA-N 1 3 338.883 2.060 10 0 EEAEHO C[C@H](CCNCc1ccncc1Cl)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699102076 1405255239 /nfs/dbraw/zinc/25/52/39/1405255239.db2.gz GPARYYFMMSYTKN-UMVBOHGHSA-N 1 3 338.883 2.060 10 0 EEAEHO C[C@H](NCCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)c1cc(F)ccc1F ZINC001699550163 1405385624 /nfs/dbraw/zinc/38/56/24/1405385624.db2.gz FDVVARREXVQUCP-UONOGXRCSA-N 1 3 339.430 2.416 10 0 EEAEHO C[C@H](NCCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)c1cc(F)ccc1F ZINC001699550163 1405385635 /nfs/dbraw/zinc/38/56/35/1405385635.db2.gz FDVVARREXVQUCP-UONOGXRCSA-N 1 3 339.430 2.416 10 0 EEAEHO C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000913097543 788625462 /nfs/dbraw/zinc/62/54/62/788625462.db2.gz NVWYMPYZRXXSFL-NZSAHSFTSA-N 1 3 329.488 2.355 10 0 EEAEHO C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000913097543 788625470 /nfs/dbraw/zinc/62/54/70/788625470.db2.gz NVWYMPYZRXXSFL-NZSAHSFTSA-N 1 3 329.488 2.355 10 0 EEAEHO Fc1cccc(CN(C[C@H]2CCCO2)C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923308569 789342219 /nfs/dbraw/zinc/34/22/19/789342219.db2.gz FGLMGFFUAQVMPF-MSOLQXFVSA-N 1 3 334.435 2.185 10 0 EEAEHO [NH3+]C[C@H]1CC2(CO1)CCN(C[C@@H](O)c1ccc(F)cc1Cl)CC2 ZINC000923439090 789562815 /nfs/dbraw/zinc/56/28/15/789562815.db2.gz CMWGWYDSGJRCNJ-CZUORRHYSA-N 1 3 342.842 2.342 10 0 EEAEHO CCOCCCNC(=O)[C@@H](C)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923502974 789668719 /nfs/dbraw/zinc/66/87/19/789668719.db2.gz DGKWCVBHHHILME-SJORKVTESA-N 1 3 339.524 2.019 10 0 EEAEHO Cc1ccc([C@H](NC(=O)CN2CC[C@@H](C[NH3+])[C@@H](C)C2)C2CC2)cc1 ZINC000923501846 789687689 /nfs/dbraw/zinc/68/76/89/789687689.db2.gz WCJCVRGMILZSJV-QSFXBCCZSA-N 1 3 329.488 2.479 10 0 EEAEHO Cc1ncc(CN[C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)s1 ZINC001437212873 1089291313 /nfs/dbraw/zinc/29/13/13/1089291313.db2.gz HGMJUJKAJPNUFF-XJKSGUPXSA-N 1 3 338.521 2.309 10 0 EEAEHO Cc1ncc(CN[C@@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)s1 ZINC001437212873 1089291327 /nfs/dbraw/zinc/29/13/27/1089291327.db2.gz HGMJUJKAJPNUFF-XJKSGUPXSA-N 1 3 338.521 2.309 10 0 EEAEHO CC(C)Oc1ccccc1CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001437237072 1089341188 /nfs/dbraw/zinc/34/11/88/1089341188.db2.gz NFKGXARWUFCKJX-MRXNPFEDSA-N 1 3 345.487 2.164 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001437263595 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348.491 2.232 10 0 EEAEHO C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CNCc1cncs1 ZINC001438771715 1091356043 /nfs/dbraw/zinc/35/60/43/1091356043.db2.gz KPDIOVBAPGTUKN-ZBFHGGJFSA-N 1 3 338.521 2.202 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2cn(C(C)C)nc2C)CC[N@@H+]1C ZINC001439234167 1091880953 /nfs/dbraw/zinc/88/09/53/1091880953.db2.gz BGOOYGYPKBSUTL-JCGIZDLHSA-N 1 3 349.523 2.097 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2cn(C(C)C)nc2C)CC[N@H+]1C ZINC001439234167 1091880963 /nfs/dbraw/zinc/88/09/63/1091880963.db2.gz BGOOYGYPKBSUTL-JCGIZDLHSA-N 1 3 349.523 2.097 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NCCN(CCF)C2CCCCCC2)C1 ZINC001446308847 1092489023 /nfs/dbraw/zinc/48/90/23/1092489023.db2.gz WWWVPDLMMBGACK-INIZCTEOSA-N 1 3 327.488 2.439 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NCCN(CCF)C2CCCCCC2)C1 ZINC001446308847 1092489028 /nfs/dbraw/zinc/48/90/28/1092489028.db2.gz WWWVPDLMMBGACK-INIZCTEOSA-N 1 3 327.488 2.439 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@@H+]2CC2CC3(CCC3)C2)C1 ZINC001440241464 1093328772 /nfs/dbraw/zinc/32/87/72/1093328772.db2.gz JHJUUGQGDKBQFY-SJLPKXTDSA-N 1 3 333.520 2.441 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@H+]2CC2CC3(CCC3)C2)C1 ZINC001440241464 1093328778 /nfs/dbraw/zinc/32/87/78/1093328778.db2.gz JHJUUGQGDKBQFY-SJLPKXTDSA-N 1 3 333.520 2.441 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001448471029 1093484522 /nfs/dbraw/zinc/48/45/22/1093484522.db2.gz NIHPPPOXRGYULQ-RCCFBDPRSA-N 1 3 344.503 2.140 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001448471029 1093484523 /nfs/dbraw/zinc/48/45/23/1093484523.db2.gz NIHPPPOXRGYULQ-RCCFBDPRSA-N 1 3 344.503 2.140 10 0 EEAEHO Cc1ncoc1CN1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001440399401 1093582031 /nfs/dbraw/zinc/58/20/31/1093582031.db2.gz YDGWGKVYOZTYQF-SJORKVTESA-N 1 3 348.491 2.328 10 0 EEAEHO Cc1ncoc1CN1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001440399401 1093582037 /nfs/dbraw/zinc/58/20/37/1093582037.db2.gz YDGWGKVYOZTYQF-SJORKVTESA-N 1 3 348.491 2.328 10 0 EEAEHO CC[C@H](F)CN1CC[C@]2(C1)CCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001440537259 1093800842 /nfs/dbraw/zinc/80/08/42/1093800842.db2.gz KBXHTOVYEILJSX-WMZOPIPTSA-N 1 3 327.488 2.391 10 0 EEAEHO CC[C@H](F)CN1CC[C@]2(C1)CCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001440537259 1093800848 /nfs/dbraw/zinc/80/08/48/1093800848.db2.gz KBXHTOVYEILJSX-WMZOPIPTSA-N 1 3 327.488 2.391 10 0 EEAEHO Cc1ncccc1CN[C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001448777354 1093856643 /nfs/dbraw/zinc/85/66/43/1093856643.db2.gz OHISNOJBBXGOFA-LPHOPBHVSA-N 1 3 346.519 2.447 10 0 EEAEHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)Cc1ccc2cc[nH]c2c1 ZINC001440960670 1094217550 /nfs/dbraw/zinc/21/75/50/1094217550.db2.gz SWYTVVKTLVPKEX-HNNXBMFYSA-N 1 3 342.487 2.446 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1cnccc1C)C1CC1 ZINC001441201169 1094561771 /nfs/dbraw/zinc/56/17/71/1094561771.db2.gz LRBFXGCJGQPLRU-MOPGFXCFSA-N 1 3 344.503 2.249 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCc2cc(C)ns2)C1 ZINC001441944234 1096143609 /nfs/dbraw/zinc/14/36/09/1096143609.db2.gz UMQVRHJBDSGORF-CABCVRRESA-N 1 3 338.521 2.168 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCc2cc(C)ns2)C1 ZINC001441944234 1096143612 /nfs/dbraw/zinc/14/36/12/1096143612.db2.gz UMQVRHJBDSGORF-CABCVRRESA-N 1 3 338.521 2.168 10 0 EEAEHO C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)NCc1cncs1 ZINC001442119941 1096354526 /nfs/dbraw/zinc/35/45/26/1096354526.db2.gz OGJMZAMIQWKIOW-ZDUSSCGKSA-N 1 3 332.473 2.113 10 0 EEAEHO Cc1ccc(CN(C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1C ZINC001442400835 1096721863 /nfs/dbraw/zinc/72/18/63/1096721863.db2.gz IIVXCWORIKWJMM-LJQANCHMSA-N 1 3 329.488 2.193 10 0 EEAEHO C[N@H+](CCF)CC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001443360423 1097883284 /nfs/dbraw/zinc/88/32/84/1097883284.db2.gz IVDXKQAWFCBTGN-SFHVURJKSA-N 1 3 345.478 2.339 10 0 EEAEHO C[N@@H+](CCF)CC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001443360423 1097883294 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10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001497404646 1102438148 /nfs/dbraw/zinc/43/81/48/1102438148.db2.gz ZEIUAYWHERNTPG-GOSISDBHSA-N 1 3 332.492 2.203 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001497404646 1102438151 /nfs/dbraw/zinc/43/81/51/1102438151.db2.gz ZEIUAYWHERNTPG-GOSISDBHSA-N 1 3 332.492 2.203 10 0 EEAEHO C[NH+](C)CCC(=O)NC/C=C\CNCc1cccc(C(F)(F)F)c1 ZINC001497675525 1102883018 /nfs/dbraw/zinc/88/30/18/1102883018.db2.gz RJGYIHQPMQWLNR-ARJAWSKDSA-N 1 3 343.393 2.419 10 0 EEAEHO COc1ccc(C)cc1CN[C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001447901623 1103554018 /nfs/dbraw/zinc/55/40/18/1103554018.db2.gz MCEXOMWVEKDWNZ-CVEARBPZSA-N 1 3 347.503 2.328 10 0 EEAEHO CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)NCc1ncccc1C ZINC001495014647 1104657436 /nfs/dbraw/zinc/65/74/36/1104657436.db2.gz ZJTMEWASMLYUPW-PKOBYXMFSA-N 1 3 346.519 2.495 10 0 EEAEHO CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)NCc1ncccc1C ZINC001495014647 1104657439 /nfs/dbraw/zinc/65/74/39/1104657439.db2.gz ZJTMEWASMLYUPW-PKOBYXMFSA-N 1 3 346.519 2.495 10 0 EEAEHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cc(C)ccc1OC ZINC001495059508 1104696209 /nfs/dbraw/zinc/69/62/09/1104696209.db2.gz UYPHYOUHYIJLQF-SJLPKXTDSA-N 1 3 347.503 2.330 10 0 EEAEHO Cc1nsc(C)c1CN[C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001480597679 1106737155 /nfs/dbraw/zinc/73/71/55/1106737155.db2.gz RSWCDIYSULMGNP-ZDUSSCGKSA-N 1 3 338.521 2.230 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CNCc2cc(C)ns2)C1 ZINC001498098950 1106917535 /nfs/dbraw/zinc/91/75/35/1106917535.db2.gz GTNWQBXPXDVLNH-GJZGRUSLSA-N 1 3 338.521 2.168 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CNCc2cc(C)ns2)C1 ZINC001498098950 1106917548 /nfs/dbraw/zinc/91/75/48/1106917548.db2.gz GTNWQBXPXDVLNH-GJZGRUSLSA-N 1 3 338.521 2.168 10 0 EEAEHO O=C(CC[NH+]1CCCCC1)N[C@H](CNCc1cncs1)C1CC1 ZINC001498876742 1108262784 /nfs/dbraw/zinc/26/27/84/1108262784.db2.gz ROGFJJKIOVHQIO-MRXNPFEDSA-N 1 3 336.505 2.004 10 0 EEAEHO COc1ccc(C)cc1CNCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001493586091 1108359460 /nfs/dbraw/zinc/35/94/60/1108359460.db2.gz FBTVYXYAQRKBMX-SFHVURJKSA-N 1 3 335.492 2.138 10 0 EEAEHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001499107322 1108597768 /nfs/dbraw/zinc/59/77/68/1108597768.db2.gz QJXLIYLDSNIBCJ-GJZGRUSLSA-N 1 3 331.451 2.344 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001499107322 1108597778 /nfs/dbraw/zinc/59/77/78/1108597778.db2.gz QJXLIYLDSNIBCJ-GJZGRUSLSA-N 1 3 331.451 2.344 10 0 EEAEHO O=C(CCC[NH+]1CCCC1)NC[C@H]1C[C@@H](NCc2cncc(F)c2)C1 ZINC001479345930 1110683966 /nfs/dbraw/zinc/68/39/66/1110683966.db2.gz COIWCUANCAZRMW-RHNCMZPLSA-N 1 3 348.466 2.081 10 0 EEAEHO C[C@H](NC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC001499421665 1112279121 /nfs/dbraw/zinc/27/91/21/1112279121.db2.gz OYVLESROSUVDST-LSDHHAIUSA-N 1 3 333.451 2.467 10 0 EEAEHO C[C@H](NC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC001499421665 1112279124 /nfs/dbraw/zinc/27/91/24/1112279124.db2.gz OYVLESROSUVDST-LSDHHAIUSA-N 1 3 333.451 2.467 10 0 EEAEHO CO[C@H](C[NH+]1CCC(C)(NC(=O)CN(C)C(C)C)CC1)C1CCC1 ZINC001500012240 1112578726 /nfs/dbraw/zinc/57/87/26/1112578726.db2.gz AZDREZNRHFGJNS-QGZVFWFLSA-N 1 3 339.524 2.112 10 0 EEAEHO COCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001500496696 1112888122 /nfs/dbraw/zinc/88/81/22/1112888122.db2.gz XGFLTWQQRCNHFS-MJGOQNOKSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001500496696 1112888126 /nfs/dbraw/zinc/88/81/26/1112888126.db2.gz XGFLTWQQRCNHFS-MJGOQNOKSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)o1 ZINC001501604788 1113397022 /nfs/dbraw/zinc/39/70/22/1113397022.db2.gz YLRPVKDLVHVIHK-IRXDYDNUSA-N 1 3 348.491 2.104 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]C/C=C\Cl)C1 ZINC001501651236 1113415969 /nfs/dbraw/zinc/41/59/69/1113415969.db2.gz MPUHNXOZRBUBAV-PLHDSQEVSA-N 1 3 327.900 2.442 10 0 EEAEHO Cc1cccnc1CN[C@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001505760103 1114174090 /nfs/dbraw/zinc/17/40/90/1114174090.db2.gz GOIFEGDLAJMAJX-IAGOWNOFSA-N 1 3 332.492 2.249 10 0 EEAEHO Cc1cnc(CNCCC[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)s1 ZINC001506938640 1114988619 /nfs/dbraw/zinc/98/86/19/1114988619.db2.gz UVSLFBGXWWCAHZ-KBPBESRZSA-N 1 3 338.521 2.168 10 0 EEAEHO Cc1cnc(CNCCC[C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)s1 ZINC001506938640 1114988621 /nfs/dbraw/zinc/98/86/21/1114988621.db2.gz UVSLFBGXWWCAHZ-KBPBESRZSA-N 1 3 338.521 2.168 10 0 EEAEHO C[C@@H]1[C@H](NCc2cncc(F)c2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001507299716 1115180833 /nfs/dbraw/zinc/18/08/33/1115180833.db2.gz WWISCTDFJRBYMO-CRAIPNDOSA-N 1 3 348.466 2.176 10 0 EEAEHO CCOCCN1CC[C@H](N(CC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001567943217 1124197701 /nfs/dbraw/zinc/19/77/01/1124197701.db2.gz ZQEPGQKFVRNSRP-MSOLQXFVSA-N 1 3 339.524 2.210 10 0 EEAEHO Cc1ncccc1C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001568393528 1124463874 /nfs/dbraw/zinc/46/38/74/1124463874.db2.gz NFMWHXOTTSMWTE-SFHVURJKSA-N 1 3 341.459 2.217 10 0 EEAEHO CC(C)[C@@H](C(=O)NC/C=C\CNCc1ccnc(Cl)c1)[NH+](C)C ZINC001568866831 1124893001 /nfs/dbraw/zinc/89/30/01/1124893001.db2.gz YAQCVPGDCBFCEH-KJPDOMRESA-N 1 3 338.883 2.083 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001568929390 1124960976 /nfs/dbraw/zinc/96/09/76/1124960976.db2.gz ZIHXIUIYORBEIP-VOFKWLDRSA-N 1 3 344.503 2.415 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001568929390 1124960980 /nfs/dbraw/zinc/96/09/80/1124960980.db2.gz ZIHXIUIYORBEIP-VOFKWLDRSA-N 1 3 344.503 2.415 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC/C=C/CN[C@H]2CCc3ccc(F)cc32)C1 ZINC001568952043 1124987176 /nfs/dbraw/zinc/98/71/76/1124987176.db2.gz UOXJMWHNCLBPAP-QIGIYGOBSA-N 1 3 345.462 2.417 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC/C=C/CN[C@H]2CCc3ccc(F)cc32)C1 ZINC001568952043 1124987183 /nfs/dbraw/zinc/98/71/83/1124987183.db2.gz UOXJMWHNCLBPAP-QIGIYGOBSA-N 1 3 345.462 2.417 10 0 EEAEHO C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1=CCN(C)CC1 ZINC000374734138 299082912 /nfs/dbraw/zinc/08/29/12/299082912.db2.gz NUPGMEDWOLVYFE-INIZCTEOSA-N 1 3 334.508 2.154 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000262796201 152319260 /nfs/dbraw/zinc/31/92/60/152319260.db2.gz NMPGBHNVHAXKPN-QGPMSJSTSA-N 1 3 333.451 2.152 10 0 EEAEHO C[C@@H](Cn1cncn1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354164080 153147458 /nfs/dbraw/zinc/14/74/58/153147458.db2.gz OVCVPWXWADXNHE-UXDRXVOSSA-N 1 3 325.460 2.452 10 0 EEAEHO C[C@@H](Cn1cncn1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354164080 153147462 /nfs/dbraw/zinc/14/74/62/153147462.db2.gz OVCVPWXWADXNHE-UXDRXVOSSA-N 1 3 325.460 2.452 10 0 EEAEHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000369998383 166372940 /nfs/dbraw/zinc/37/29/40/166372940.db2.gz RPZZIZUZXBQTMH-QGZVFWFLSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000279123426 269263627 /nfs/dbraw/zinc/26/36/27/269263627.db2.gz DCYHVNRUGZBZLE-PBWTXFEYSA-N 1 3 329.488 2.353 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000279123426 269263628 /nfs/dbraw/zinc/26/36/28/269263628.db2.gz DCYHVNRUGZBZLE-PBWTXFEYSA-N 1 3 329.488 2.353 10 0 EEAEHO C[NH+](C)CC[C@H](NCCN1C(=O)c2ccccc2C1=O)C(C)(C)C ZINC000278568268 274374751 /nfs/dbraw/zinc/37/47/51/274374751.db2.gz CISAQHYDWWZNJC-INIZCTEOSA-N 1 3 331.460 2.239 10 0 EEAEHO CC(C)N1CCN(CCC[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000289475458 275119299 /nfs/dbraw/zinc/11/92/99/275119299.db2.gz XJPHTSZPVGRVBO-SFTDATJTSA-N 1 3 344.547 2.438 10 0 EEAEHO C[NH+](C)CCOc1cccc(N[C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000261895581 276792592 /nfs/dbraw/zinc/79/25/92/276792592.db2.gz HANAHIQKAZMFJR-QRVBRYPASA-N 1 3 333.476 2.196 10 0 EEAEHO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](N3CC=CC3)C2)[C@@H]1c1ccccc1 ZINC000248134454 277165771 /nfs/dbraw/zinc/16/57/71/277165771.db2.gz XDLOQVMYUVJJNO-QYZOEREBSA-N 1 3 340.471 2.088 10 0 EEAEHO C[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](N3CC=CC3)C2)[C@@H]1c1ccccc1 ZINC000248134454 277165773 /nfs/dbraw/zinc/16/57/73/277165773.db2.gz XDLOQVMYUVJJNO-QYZOEREBSA-N 1 3 340.471 2.088 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)[C@@H]1c1ccccc1 ZINC000248134454 277165774 /nfs/dbraw/zinc/16/57/74/277165774.db2.gz XDLOQVMYUVJJNO-QYZOEREBSA-N 1 3 340.471 2.088 10 0 EEAEHO CN1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)[C@@H]1c1ccccc1 ZINC000245628615 277167024 /nfs/dbraw/zinc/16/70/24/277167024.db2.gz HERHPYHOMMNWQP-MNEFBYGVSA-N 1 3 342.487 2.215 10 0 EEAEHO CN1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)[C@@H]1c1ccccc1 ZINC000245628615 277167025 /nfs/dbraw/zinc/16/70/25/277167025.db2.gz HERHPYHOMMNWQP-MNEFBYGVSA-N 1 3 342.487 2.215 10 0 EEAEHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000458936303 278979913 /nfs/dbraw/zinc/97/99/13/278979913.db2.gz NCNYTCQEYZALOE-ROUUACIJSA-N 1 3 334.508 2.153 10 0 EEAEHO C[C@@H]1[C@@H](NC2CC[NH+](C3CC3)CC2)CC(=O)N1Cc1ccccc1 ZINC000459522133 279093052 /nfs/dbraw/zinc/09/30/52/279093052.db2.gz GBCVTKWLOCCLSO-BEFAXECRSA-N 1 3 327.472 2.392 10 0 EEAEHO CC[NH+]1CCN(Cc2ccccc2CNCc2conc2C)CC1 ZINC000293983214 293343315 /nfs/dbraw/zinc/34/33/15/293343315.db2.gz DWDUHDQQTOHJRV-UHFFFAOYSA-N 1 3 328.460 2.410 10 0 EEAEHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000416834048 313329085 /nfs/dbraw/zinc/32/90/85/313329085.db2.gz CZXONVSCSWHPCA-ICSRJNTNSA-N 1 3 342.487 2.046 10 0 EEAEHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000416843308 313332931 /nfs/dbraw/zinc/33/29/31/313332931.db2.gz OKOSAUUUFSLFTQ-OWCLPIDISA-N 1 3 348.516 2.278 10 0 EEAEHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000418232440 313757813 /nfs/dbraw/zinc/75/78/13/313757813.db2.gz DQULLVPEWHHXER-ZWKOTPCHSA-N 1 3 332.492 2.496 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000418550574 313843738 /nfs/dbraw/zinc/84/37/38/313843738.db2.gz LEJXUVGPGZDLCK-APWZRJJASA-N 1 3 344.503 2.290 10 0 EEAEHO [NH3+]CCC[C@@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccccc1 ZINC000418644840 313868345 /nfs/dbraw/zinc/86/83/45/313868345.db2.gz CQBHNJNREDMVRK-QZTJIDSGSA-N 1 3 328.460 2.122 10 0 EEAEHO CC[NH+]1CCC(N2CCCN([C@H](CC(C)C)C(=O)OC)CC2)CC1 ZINC000420981999 314015148 /nfs/dbraw/zinc/01/51/48/314015148.db2.gz NZIAGWWWFFZHFY-GOSISDBHSA-N 1 3 339.524 2.066 10 0 EEAEHO CCN1CCC([N@@H+]2CCCN([C@H](CC(C)C)C(=O)OC)CC2)CC1 ZINC000420981999 314015151 /nfs/dbraw/zinc/01/51/51/314015151.db2.gz NZIAGWWWFFZHFY-GOSISDBHSA-N 1 3 339.524 2.066 10 0 EEAEHO CCN1CCC([N@H+]2CCCN([C@H](CC(C)C)C(=O)OC)CC2)CC1 ZINC000420981999 314015153 /nfs/dbraw/zinc/01/51/53/314015153.db2.gz NZIAGWWWFFZHFY-GOSISDBHSA-N 1 3 339.524 2.066 10 0 EEAEHO CN(CCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccncc1 ZINC000561500643 318845638 /nfs/dbraw/zinc/84/56/38/318845638.db2.gz RWSKBBYSJCSQFN-GOSISDBHSA-N 1 3 330.476 2.385 10 0 EEAEHO CCc1ccccc1[C@@H](N)CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000562808928 318933434 /nfs/dbraw/zinc/93/34/34/318933434.db2.gz ZFXKOXJEZXMPLP-PZJWPPBQSA-N 1 3 337.467 2.296 10 0 EEAEHO CN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000563727631 319040492 /nfs/dbraw/zinc/04/04/92/319040492.db2.gz WAFFXRWGAXNCHS-HKUYNNGSSA-N 1 3 327.472 2.204 10 0 EEAEHO CN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000563727631 319040494 /nfs/dbraw/zinc/04/04/94/319040494.db2.gz WAFFXRWGAXNCHS-HKUYNNGSSA-N 1 3 327.472 2.204 10 0 EEAEHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000566682088 319311416 /nfs/dbraw/zinc/31/14/16/319311416.db2.gz NVVZAGNZYXAAAV-NONVJHHQSA-N 1 3 333.451 2.342 10 0 EEAEHO NC[C@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000575236179 320098038 /nfs/dbraw/zinc/09/80/38/320098038.db2.gz KIROHPVNSPRFKS-OALUTQOASA-N 1 3 338.455 2.376 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1noc(Cc2ccc(F)cc2)n1 ZINC000621334985 450689356 /nfs/dbraw/zinc/68/93/56/450689356.db2.gz YHNOPWWFWMSPCQ-AWEZNQCLSA-N 1 3 349.454 2.483 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1noc(Cc2ccc(F)cc2)n1 ZINC000621334985 450689363 /nfs/dbraw/zinc/68/93/63/450689363.db2.gz YHNOPWWFWMSPCQ-AWEZNQCLSA-N 1 3 349.454 2.483 10 0 EEAEHO CCn1ccnc1CNCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000075131264 462682239 /nfs/dbraw/zinc/68/22/39/462682239.db2.gz SJFUPSZTBLFROT-LJQANCHMSA-N 1 3 342.487 2.438 10 0 EEAEHO CC[NH+]1CCC(NC(=O)CN(C[C@@H]2CCCO2)C2CCCC2)CC1 ZINC000075831697 462760882 /nfs/dbraw/zinc/76/08/82/462760882.db2.gz GGJNVVCUSMWIQG-SFHVURJKSA-N 1 3 337.508 2.011 10 0 EEAEHO C[C@H](CC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)[S@](C)=O ZINC000090515482 462794857 /nfs/dbraw/zinc/79/48/57/462794857.db2.gz POSRCWVGQSPPJP-ZCCHDVMBSA-N 1 3 326.506 2.435 10 0 EEAEHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000091281274 462869279 /nfs/dbraw/zinc/86/92/79/462869279.db2.gz FCXOGHJZPOXTOV-AWEZNQCLSA-N 1 3 347.484 2.246 10 0 EEAEHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000052523473 463085354 /nfs/dbraw/zinc/08/53/54/463085354.db2.gz UCYASJPLNOBTPN-GOSISDBHSA-N 1 3 332.492 2.420 10 0 EEAEHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000052523473 463085357 /nfs/dbraw/zinc/08/53/57/463085357.db2.gz UCYASJPLNOBTPN-GOSISDBHSA-N 1 3 332.492 2.420 10 0 EEAEHO CCC[NH+]1CCC(CNC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000157720693 463161205 /nfs/dbraw/zinc/16/12/05/463161205.db2.gz YTAXDCKPMWDPMH-UHFFFAOYSA-N 1 3 336.524 2.378 10 0 EEAEHO CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2CCCN2C)cc1 ZINC000139141864 463319169 /nfs/dbraw/zinc/31/91/69/463319169.db2.gz DLYISJVWDUZFJU-KRWDZBQOSA-N 1 3 333.476 2.231 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]CCCC(=O)N(C)C)CC1 ZINC000151766080 463588231 /nfs/dbraw/zinc/58/82/31/463588231.db2.gz CBZREMJVONWGAQ-UHFFFAOYSA-N 1 3 346.519 2.177 10 0 EEAEHO CC[NH+](CC)CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268516565 463777072 /nfs/dbraw/zinc/77/70/72/463777072.db2.gz LLXKZSCININCTD-SFHVURJKSA-N 1 3 332.492 2.244 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522832093 468376996 /nfs/dbraw/zinc/37/69/96/468376996.db2.gz GVIKMXGNASQYKY-MJGOQNOKSA-N 1 3 344.503 2.284 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522832093 468376999 /nfs/dbraw/zinc/37/69/99/468376999.db2.gz GVIKMXGNASQYKY-MJGOQNOKSA-N 1 3 344.503 2.284 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000194348345 463842799 /nfs/dbraw/zinc/84/27/99/463842799.db2.gz HIZNTPOPMYUDIG-GOSISDBHSA-N 1 3 329.488 2.150 10 0 EEAEHO C[C@@H]([NH3+])c1ccc(CNS(=O)(=O)c2ccc(CN(C)C)cc2)cc1 ZINC000262082489 463941918 /nfs/dbraw/zinc/94/19/18/463941918.db2.gz QQFHFSCGXFMOFF-CQSZACIVSA-N 1 3 347.484 2.246 10 0 EEAEHO C[C@H]1CCCCN1CCC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000263830930 464208743 /nfs/dbraw/zinc/20/87/43/464208743.db2.gz AVSBQCRLUNURLF-HNNXBMFYSA-N 1 3 329.444 2.137 10 0 EEAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN(C)Cc1ccccc1 ZINC000174266988 464385724 /nfs/dbraw/zinc/38/57/24/464385724.db2.gz SZECAHBKLJRMJP-RTBURBONSA-N 1 3 344.503 2.387 10 0 EEAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCN(C)Cc1ccccc1 ZINC000174266988 464385727 /nfs/dbraw/zinc/38/57/27/464385727.db2.gz SZECAHBKLJRMJP-RTBURBONSA-N 1 3 344.503 2.387 10 0 EEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245661785 464502986 /nfs/dbraw/zinc/50/29/86/464502986.db2.gz PYJGGCITLATSMC-BVBHFADKSA-N 1 3 344.503 2.460 10 0 EEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245661785 464502993 /nfs/dbraw/zinc/50/29/93/464502993.db2.gz PYJGGCITLATSMC-BVBHFADKSA-N 1 3 344.503 2.460 10 0 EEAEHO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248709265 464789827 /nfs/dbraw/zinc/78/98/27/464789827.db2.gz PPAVNMFXBDJRGE-MSOLQXFVSA-N 1 3 332.492 2.415 10 0 EEAEHO CN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)[C@@H]2CCC[C@H]21 ZINC000361185325 465822773 /nfs/dbraw/zinc/82/27/73/465822773.db2.gz BCQMYHYMBZIQMM-YQFWSFKMSA-N 1 3 331.435 2.393 10 0 EEAEHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCN1CCc2ccccc2C1 ZINC000348900395 465863706 /nfs/dbraw/zinc/86/37/06/465863706.db2.gz MUBCOFPYBYQKFB-VQIMIIECSA-N 1 3 329.488 2.233 10 0 EEAEHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CCN1CCc2ccccc2C1 ZINC000348900395 465863714 /nfs/dbraw/zinc/86/37/14/465863714.db2.gz MUBCOFPYBYQKFB-VQIMIIECSA-N 1 3 329.488 2.233 10 0 EEAEHO C[C@@H]1CCC[C@@](CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)([NH+](C)C)C1 ZINC000349702636 466197285 /nfs/dbraw/zinc/19/72/85/466197285.db2.gz LBGDMWCYWBXFHZ-HHXXYDBFSA-N 1 3 336.524 2.375 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000304962170 466323148 /nfs/dbraw/zinc/32/31/48/466323148.db2.gz MTVYRZIEAGEHOG-AZUAARDMSA-N 1 3 331.504 2.469 10 0 EEAEHO C[NH+](C)C1(CNC(=O)CCN2CCc3ccccc3C2)CCCC1 ZINC000354211410 466380064 /nfs/dbraw/zinc/38/00/64/466380064.db2.gz MTBQJEDGTDWZNU-UHFFFAOYSA-N 1 3 329.488 2.425 10 0 EEAEHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662485803 472125123 /nfs/dbraw/zinc/12/51/23/472125123.db2.gz JTLSMCUSSRBEPU-QFBILLFUSA-N 1 3 327.472 2.411 10 0 EEAEHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662485803 472125126 /nfs/dbraw/zinc/12/51/26/472125126.db2.gz JTLSMCUSSRBEPU-QFBILLFUSA-N 1 3 327.472 2.411 10 0 EEAEHO CC(C)N1CCN(C2CC[NH+](C[C@H](O)C3CCCCC3)CC2)CC1 ZINC000373695984 466891659 /nfs/dbraw/zinc/89/16/59/466891659.db2.gz KGUPLZCDCICELU-FQEVSTJZSA-N 1 3 337.552 2.418 10 0 EEAEHO C[NH+]1CCC(CNc2ncnc3ccsc32)(N2CCCCC2)CC1 ZINC000374168433 467022305 /nfs/dbraw/zinc/02/23/05/467022305.db2.gz WUQSDHDNUVHUFX-UHFFFAOYSA-N 1 3 345.516 3.054 10 0 EEAEHO CN(C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418434916 467110195 /nfs/dbraw/zinc/11/01/95/467110195.db2.gz WEXOXLVTVYTHSU-GUDVDZBRSA-N 1 3 344.503 2.420 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000418550577 467127521 /nfs/dbraw/zinc/12/75/21/467127521.db2.gz LEJXUVGPGZDLCK-VQIMIIECSA-N 1 3 344.503 2.290 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000418577011 467131116 /nfs/dbraw/zinc/13/11/16/467131116.db2.gz OQWHMLKZWSCSKY-KCXAZCMYSA-N 1 3 338.883 2.240 10 0 EEAEHO C[C@H]([NH3+])[C@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418712532 467149130 /nfs/dbraw/zinc/14/91/30/467149130.db2.gz XHZQYHNJDQHVQJ-CVYDXHPNSA-N 1 3 332.492 2.417 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000378165861 467217595 /nfs/dbraw/zinc/21/75/95/467217595.db2.gz KVNDBJLPPMXMIV-PBASOCQRSA-N 1 3 343.515 2.350 10 0 EEAEHO Cc1cc2c(ncnc2N2CCN(CC[C@H]3CC[NH2+]C3)CC2)s1 ZINC000420364600 467379450 /nfs/dbraw/zinc/37/94/50/467379450.db2.gz DBRLCVWJZCLVOM-CQSZACIVSA-N 1 3 331.489 2.121 10 0 EEAEHO CC(C)[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccnc1 ZINC000414202135 467390798 /nfs/dbraw/zinc/39/07/98/467390798.db2.gz UDHDUYQCLNYNRY-LJQANCHMSA-N 1 3 346.519 2.165 10 0 EEAEHO CC1(C)[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@H]2CCO[C@H]21 ZINC000397585613 467443501 /nfs/dbraw/zinc/44/35/01/467443501.db2.gz IYFOMXVTTIDRHP-GUDVDZBRSA-N 1 3 344.499 2.417 10 0 EEAEHO CCCN1CCN(c2ccccc2CN[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000414943736 467455716 /nfs/dbraw/zinc/45/57/16/467455716.db2.gz OKVNDQCWKJGAOY-IEBWSBKVSA-N 1 3 330.520 2.306 10 0 EEAEHO C[C@@H](Cc1ccoc1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000449108182 467618477 /nfs/dbraw/zinc/61/84/77/467618477.db2.gz PYNNSEHHMOGHCC-KRWDZBQOSA-N 1 3 328.460 2.408 10 0 EEAEHO CCC[NH+]1CCC(CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)CC1 ZINC000458124810 467773736 /nfs/dbraw/zinc/77/37/36/467773736.db2.gz FUOMUFBFINWXQP-LJQANCHMSA-N 1 3 336.524 2.236 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1csc2ccccc12 ZINC000531357814 468047004 /nfs/dbraw/zinc/04/70/04/468047004.db2.gz DBRJBRXVWIUSIB-UHFFFAOYSA-N 1 3 333.501 2.396 10 0 EEAEHO Cc1cnc(CCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)c1 ZINC000563061414 469156061 /nfs/dbraw/zinc/15/60/61/469156061.db2.gz IBHRZPMEERKRPB-UYAOXDASSA-N 1 3 330.520 2.199 10 0 EEAEHO CNc1ccc(Cl)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000622137676 469378340 /nfs/dbraw/zinc/37/83/40/469378340.db2.gz QJIGVXIUIFCBQG-ZDUSSCGKSA-N 1 3 340.899 2.384 10 0 EEAEHO CNc1ccc(Cl)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000622137676 469378341 /nfs/dbraw/zinc/37/83/41/469378341.db2.gz QJIGVXIUIFCBQG-ZDUSSCGKSA-N 1 3 340.899 2.384 10 0 EEAEHO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623429303 469654776 /nfs/dbraw/zinc/65/47/76/469654776.db2.gz XACPNRRIMMPKQN-YJBOKZPZSA-N 1 3 342.487 2.287 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000617502332 469699101 /nfs/dbraw/zinc/69/91/01/469699101.db2.gz LXZUPPXEMPEZSN-IEZWGBDMSA-N 1 3 335.467 2.260 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000617502332 469699106 /nfs/dbraw/zinc/69/91/06/469699106.db2.gz LXZUPPXEMPEZSN-IEZWGBDMSA-N 1 3 335.467 2.260 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ZINC000617503717 469700321 /nfs/dbraw/zinc/70/03/21/469700321.db2.gz WCCLTUPBSVITTL-ZYSHUDEJSA-N 1 3 347.503 2.187 10 0 EEAEHO COc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000617503717 469700324 /nfs/dbraw/zinc/70/03/24/469700324.db2.gz WCCLTUPBSVITTL-ZYSHUDEJSA-N 1 3 347.503 2.187 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc2c1O[C@H](C)C2 ZINC000617503641 469702014 /nfs/dbraw/zinc/70/20/14/469702014.db2.gz SAHRRWXSEWSIKJ-LSDHHAIUSA-N 1 3 333.476 2.012 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc2c1O[C@H](C)C2 ZINC000617503641 469702017 /nfs/dbraw/zinc/70/20/17/469702017.db2.gz SAHRRWXSEWSIKJ-LSDHHAIUSA-N 1 3 333.476 2.012 10 0 EEAEHO COc1cccc2c1[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC2 ZINC000617507722 469708317 /nfs/dbraw/zinc/70/83/17/469708317.db2.gz HAHPZZYDLIWNIT-RDJZCZTQSA-N 1 3 347.503 2.113 10 0 EEAEHO COc1cccc2c1[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC2 ZINC000617507722 469708321 /nfs/dbraw/zinc/70/83/21/469708321.db2.gz HAHPZZYDLIWNIT-RDJZCZTQSA-N 1 3 347.503 2.113 10 0 EEAEHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccco1 ZINC000627034356 469796862 /nfs/dbraw/zinc/79/68/62/469796862.db2.gz FZDICMIQGHFAOS-OFQRWUPVSA-N 1 3 334.464 2.293 10 0 EEAEHO O=C([C@@H]1CCC[N@H+](CCc2ccccc2)C1)N1CCN2CCC1CC2 ZINC000613861383 469807075 /nfs/dbraw/zinc/80/70/75/469807075.db2.gz NACPECYQBYYTDS-LJQANCHMSA-N 1 3 341.499 2.248 10 0 EEAEHO O=C([C@@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CCN2CCC1CC2 ZINC000613861383 469807079 /nfs/dbraw/zinc/80/70/79/469807079.db2.gz NACPECYQBYYTDS-LJQANCHMSA-N 1 3 341.499 2.248 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N(CCN(C)C)Cc2cccc(F)c2)C[NH2+]1 ZINC000627197250 469840562 /nfs/dbraw/zinc/84/05/62/469840562.db2.gz YHRXREGNBDEMEM-PBHICJAKSA-N 1 3 336.455 2.039 10 0 EEAEHO CN(C)C1(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000627777644 469996905 /nfs/dbraw/zinc/99/69/05/469996905.db2.gz KJLSUCQUTDJZHQ-RBUKOAKNSA-N 1 3 341.499 2.355 10 0 EEAEHO CN(C)C1(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000627777644 469996908 /nfs/dbraw/zinc/99/69/08/469996908.db2.gz KJLSUCQUTDJZHQ-RBUKOAKNSA-N 1 3 341.499 2.355 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634724077 470286966 /nfs/dbraw/zinc/28/69/66/470286966.db2.gz JJGXAWMUHWFCBR-LGYWMIHWSA-N 1 3 346.515 2.256 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634724077 470286967 /nfs/dbraw/zinc/28/69/67/470286967.db2.gz JJGXAWMUHWFCBR-LGYWMIHWSA-N 1 3 346.515 2.256 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634724077 470286968 /nfs/dbraw/zinc/28/69/68/470286968.db2.gz JJGXAWMUHWFCBR-LGYWMIHWSA-N 1 3 346.515 2.256 10 0 EEAEHO C[C@H](CNC(=O)N1CCc2ccccc2[C@H]1CN)C[NH+]1CCCCC1 ZINC000646185794 470558917 /nfs/dbraw/zinc/55/89/17/470558917.db2.gz JBPYBFVCNURGEB-VQIMIIECSA-N 1 3 344.503 2.376 10 0 EEAEHO [NH3+]CC1(CCNCc2cc3c(cc2Br)OCO3)CC1 ZINC000650712523 470948210 /nfs/dbraw/zinc/94/82/10/470948210.db2.gz IADUPQXLXMWZNA-UHFFFAOYSA-N 1 3 327.222 2.396 10 0 EEAEHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2ccc3c(c2)OCCO3)C1 ZINC000650722220 470951024 /nfs/dbraw/zinc/95/10/24/470951024.db2.gz NHENBJOPLXJHBD-RYRKJORJSA-N 1 3 332.444 2.319 10 0 EEAEHO CN1CCO[C@H]([C@H](NCCC2(C[NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000650745174 470957198 /nfs/dbraw/zinc/95/71/98/470957198.db2.gz BCLZHPLQRUYHIQ-DLBZAZTESA-N 1 3 337.895 2.430 10 0 EEAEHO CNC(=O)[C@H](C[NH2+][C@@H]1CCC[C@H]1N)Cc1ccc(C(F)(F)F)cc1 ZINC000647804101 470988853 /nfs/dbraw/zinc/98/88/53/470988853.db2.gz IUMMKFKUYRJFHK-NWANDNLSSA-N 1 3 343.393 2.080 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(OC)cn3)CC2)CC1 ZINC000654838898 471197648 /nfs/dbraw/zinc/19/76/48/471197648.db2.gz MCXOWLKGJQZKPK-UHFFFAOYSA-N 1 3 346.475 2.225 10 0 EEAEHO C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658134752 471269877 /nfs/dbraw/zinc/26/98/77/471269877.db2.gz BTFCVPREAXHJJB-LPHOPBHVSA-N 1 3 328.460 2.018 10 0 EEAEHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000652361515 471280246 /nfs/dbraw/zinc/28/02/46/471280246.db2.gz JJOPQAFSMCBPEG-MNEFBYGVSA-N 1 3 349.519 2.281 10 0 EEAEHO CCN1CC[C@H]([NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658344926 471291436 /nfs/dbraw/zinc/29/14/36/471291436.db2.gz SOZZCTRWIAFHMN-NRSPTQNISA-N 1 3 344.547 2.123 10 0 EEAEHO CC[N@@H+]1CC[C@H](NC[C@@H]2CN(C)CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658344926 471291439 /nfs/dbraw/zinc/29/14/39/471291439.db2.gz SOZZCTRWIAFHMN-NRSPTQNISA-N 1 3 344.547 2.123 10 0 EEAEHO CC[N@H+]1CC[C@H](NC[C@@H]2CN(C)CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658344926 471291441 /nfs/dbraw/zinc/29/14/41/471291441.db2.gz SOZZCTRWIAFHMN-NRSPTQNISA-N 1 3 344.547 2.123 10 0 EEAEHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659031878 471475364 /nfs/dbraw/zinc/47/53/64/471475364.db2.gz DGJXKKOXXICTJX-QAPCUYQASA-N 1 3 346.475 2.153 10 0 EEAEHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659031878 471475371 /nfs/dbraw/zinc/47/53/71/471475371.db2.gz DGJXKKOXXICTJX-QAPCUYQASA-N 1 3 346.475 2.153 10 0 EEAEHO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659035696 471478177 /nfs/dbraw/zinc/47/81/77/471478177.db2.gz YTEIGNAYDIYLOE-QZTJIDSGSA-N 1 3 346.475 2.342 10 0 EEAEHO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659036984 471479596 /nfs/dbraw/zinc/47/95/96/471479596.db2.gz UQAFWZMSQADKLG-QAPCUYQASA-N 1 3 346.475 2.153 10 0 EEAEHO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659036984 471479601 /nfs/dbraw/zinc/47/96/01/471479601.db2.gz UQAFWZMSQADKLG-QAPCUYQASA-N 1 3 346.475 2.153 10 0 EEAEHO C[C@H](NC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C1=CC[N@H+](C)CC1 ZINC000659037519 471479750 /nfs/dbraw/zinc/47/97/50/471479750.db2.gz JFPSKIQNCQSVMA-KBXCAEBGSA-N 1 3 344.459 2.119 10 0 EEAEHO C[C@H](NC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C1=CC[N@@H+](C)CC1 ZINC000659037519 471479753 /nfs/dbraw/zinc/47/97/53/471479753.db2.gz JFPSKIQNCQSVMA-KBXCAEBGSA-N 1 3 344.459 2.119 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccccc1 ZINC000655909665 471531702 /nfs/dbraw/zinc/53/17/02/471531702.db2.gz CJHCHZHIVZLFOY-ZIAGYGMSSA-N 1 3 346.397 2.258 10 0 EEAEHO CC(C)Cc1ccc([C@H](CNC(=O)NC/C=C/C[NH3+])N(C)C)cc1 ZINC000669587059 471569434 /nfs/dbraw/zinc/56/94/34/471569434.db2.gz ZSFIUXFKTJOYKK-QWNKOJSDSA-N 1 3 332.492 2.302 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)NCC12CC(C1)C[NH2+]2)c1ccsc1 ZINC000659434365 471625281 /nfs/dbraw/zinc/62/52/81/471625281.db2.gz MDELPCWPBIXJTO-GNHJJJEISA-N 1 3 336.505 2.182 10 0 EEAEHO CN(CC(C)(C)[NH3+])C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000659484694 471651820 /nfs/dbraw/zinc/65/18/20/471651820.db2.gz ZCNNCHOGXUNZQE-IBGZPJMESA-N 1 3 332.492 2.420 10 0 EEAEHO C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@H]3CCN3C(C)(C)C)C2)CC1 ZINC000661403397 471745155 /nfs/dbraw/zinc/74/51/55/471745155.db2.gz LAQYBNINBFYJFI-IAGOWNOFSA-N 1 3 336.524 2.233 10 0 EEAEHO COc1cc(C)c(C)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000667544115 471817100 /nfs/dbraw/zinc/81/71/00/471817100.db2.gz WLYVRTFVLIPVMZ-UHFFFAOYSA-N 1 3 336.480 2.269 10 0 EEAEHO Fc1cccc(CN(C[C@@H]2CCCO2)C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662254282 472044031 /nfs/dbraw/zinc/04/40/31/472044031.db2.gz OXIPUJUMYIHWQD-ROUUACIJSA-N 1 3 334.435 2.328 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC000668302551 472075938 /nfs/dbraw/zinc/07/59/38/472075938.db2.gz JUSYEISTHPXEPL-HOCLYGCPSA-N 1 3 331.451 2.154 10 0 EEAEHO CC(C)C[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665759725 472175049 /nfs/dbraw/zinc/17/50/49/472175049.db2.gz NJEVHVDXEVBVOL-IRXDYDNUSA-N 1 3 326.529 2.336 10 0 EEAEHO CC(C)C[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665759725 472175052 /nfs/dbraw/zinc/17/50/52/472175052.db2.gz NJEVHVDXEVBVOL-IRXDYDNUSA-N 1 3 326.529 2.336 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1(C)Cc2ccccc2C1 ZINC000665760568 472175247 /nfs/dbraw/zinc/17/52/47/472175247.db2.gz KLYAJQDEOAHZIU-INIZCTEOSA-N 1 3 346.519 2.115 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1(C)Cc2ccccc2C1 ZINC000665760568 472175253 /nfs/dbraw/zinc/17/52/53/472175253.db2.gz KLYAJQDEOAHZIU-INIZCTEOSA-N 1 3 346.519 2.115 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1(Cc2ccccc2)CC1 ZINC000665761621 472178041 /nfs/dbraw/zinc/17/80/41/472178041.db2.gz KPSWLPLUAXSIFH-KRWDZBQOSA-N 1 3 346.519 2.333 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1(Cc2ccccc2)CC1 ZINC000665761621 472178046 /nfs/dbraw/zinc/17/80/46/472178046.db2.gz KPSWLPLUAXSIFH-KRWDZBQOSA-N 1 3 346.519 2.333 10 0 EEAEHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000662881810 472288816 /nfs/dbraw/zinc/28/88/16/472288816.db2.gz BKRFQRUGZDXWTL-RANZSIQMSA-N 1 3 329.444 2.207 10 0 EEAEHO CCCN1CC[C@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000662909578 472297287 /nfs/dbraw/zinc/29/72/87/472297287.db2.gz GRGAXEUTHPVVLJ-SFHVURJKSA-N 1 3 329.488 2.443 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N[C@H]2CCCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000672754344 486185854 /nfs/dbraw/zinc/18/58/54/486185854.db2.gz FBTDQUJHQKRFHK-NJAFHUGGSA-N 1 3 330.476 2.043 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N[C@H]2CCCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000672754344 486185860 /nfs/dbraw/zinc/18/58/60/486185860.db2.gz FBTDQUJHQKRFHK-NJAFHUGGSA-N 1 3 330.476 2.043 10 0 EEAEHO CN1CCC(Oc2cccc3c2CN(C[C@@H]2CCCO2)[C@@H]3C[NH3+])CC1 ZINC000071684990 517943293 /nfs/dbraw/zinc/94/32/93/517943293.db2.gz BEYBACYDHZXYDS-QFBILLFUSA-N 1 3 345.487 2.154 10 0 EEAEHO CC[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000415938759 528353087 /nfs/dbraw/zinc/35/30/87/528353087.db2.gz AZNSHKQQEXYISC-KRWDZBQOSA-N 1 3 348.491 2.371 10 0 EEAEHO CC(C)C[C@H](NCc1cnc2ccccc2c1)C(=O)NCC[NH+](C)C ZINC000758592428 577627950 /nfs/dbraw/zinc/62/79/50/577627950.db2.gz WXQZJBIAJRPTGW-IBGZPJMESA-N 1 3 342.487 2.417 10 0 EEAEHO CCO[C@H](CN[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C)C[NH+](C)C ZINC000926957991 693042735 /nfs/dbraw/zinc/04/27/35/693042735.db2.gz DIOZIBMWJHCNMR-OAGGEKHMSA-N 1 3 343.512 2.188 10 0 EEAEHO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000924724575 693283462 /nfs/dbraw/zinc/28/34/62/693283462.db2.gz ZQDWDUBBYABOBW-YRWFTTLQSA-N 1 3 331.504 2.195 10 0 EEAEHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+]CC[C@@H]2CCCO2)C1)CC(C)(C)C ZINC001485696622 1191903280 /nfs/dbraw/zinc/90/32/80/1191903280.db2.gz VYBNNHUNOASWLN-ULQDDVLXSA-N 1 3 339.524 2.018 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001485702942 1191906123 /nfs/dbraw/zinc/90/61/23/1191906123.db2.gz JSBCCSYGUVWJOG-SHTZXODSSA-N 1 3 339.430 2.291 10 0 EEAEHO C[C@H](CCCNCC=C(Cl)Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001485743264 1191918595 /nfs/dbraw/zinc/91/85/95/1191918595.db2.gz CPDSANNHBSSVLJ-GFCCVEGCSA-N 1 3 334.291 2.276 10 0 EEAEHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CC[C@@H](Cc2ccccc2)C1 ZINC001772526453 1176884512 /nfs/dbraw/zinc/88/45/12/1176884512.db2.gz PFVMIBVZZWAMEU-ZWKOTPCHSA-N 1 3 325.460 2.267 10 0 EEAEHO CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1OCC ZINC001692045707 1177893376 /nfs/dbraw/zinc/89/33/76/1177893376.db2.gz XTLSRLAHMIRPPJ-KZNAEPCWSA-N 1 3 339.524 2.112 10 0 EEAEHO CN(CCNCc1cnn(C(C)(C)C)c1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001267412944 1178975700 /nfs/dbraw/zinc/97/57/00/1178975700.db2.gz URTYBEPNEAJOBW-UHFFFAOYSA-N 1 3 349.523 2.061 10 0 EEAEHO C[C@H]([NH2+]CCN(C)C(=O)CN1CCCC1)c1ccc2c(c1)CCC2 ZINC001481314672 1181009822 /nfs/dbraw/zinc/00/98/22/1181009822.db2.gz JWBJFXQDJYKJEZ-INIZCTEOSA-N 1 3 329.488 2.380 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]C[C@H](OC)C2CCCC2)C1)N(C)C ZINC001481522346 1181639131 /nfs/dbraw/zinc/63/91/31/1181639131.db2.gz MURMUWZDKPXPOL-BZSNNMDCSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cncs1 ZINC001268402200 1182498380 /nfs/dbraw/zinc/49/83/80/1182498380.db2.gz GFNBBQSXJDQYSM-GDBMZVCRSA-N 1 3 338.521 2.390 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]Cc1ccc2c(c1)CCC2 ZINC001268427085 1182595746 /nfs/dbraw/zinc/59/57/46/1182595746.db2.gz UUAWIJOGOSTOFC-MRXNPFEDSA-N 1 3 331.504 2.500 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC2(CNCc3cnoc3C)CCCC2)CC[N@@H+]1C ZINC001481897304 1182907777 /nfs/dbraw/zinc/90/77/77/1182907777.db2.gz VNSLRJLQNPLYHB-DLBZAZTESA-N 1 3 348.491 2.232 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC2(CNCc3cnoc3C)CCCC2)CC[N@H+]1C ZINC001481897304 1182907781 /nfs/dbraw/zinc/90/77/81/1182907781.db2.gz VNSLRJLQNPLYHB-DLBZAZTESA-N 1 3 348.491 2.232 10 0 EEAEHO CCN(CC[NH2+]Cc1ccc(F)cc1)C(=O)CN1CCC(C)CC1 ZINC001268486599 1182960713 /nfs/dbraw/zinc/96/07/13/1182960713.db2.gz FMFMUCIUCDXDRE-UHFFFAOYSA-N 1 3 335.467 2.496 10 0 EEAEHO Cc1ncc(C[NH2+]CCC2CCN(C(=O)CN(C)C3CCC3)CC2)o1 ZINC001481999090 1183107269 /nfs/dbraw/zinc/10/72/69/1183107269.db2.gz GFIYYXVRJPLWMP-UHFFFAOYSA-N 1 3 348.491 2.186 10 0 EEAEHO C[C@@H](CNC/C(Cl)=C/Cl)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482136054 1183442535 /nfs/dbraw/zinc/44/25/35/1183442535.db2.gz OECHAUFXUGCPEC-YJPWGRHVSA-N 1 3 336.307 2.378 10 0 EEAEHO C[C@@H](CNC/C(Cl)=C/Cl)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482136054 1183442538 /nfs/dbraw/zinc/44/25/38/1183442538.db2.gz OECHAUFXUGCPEC-YJPWGRHVSA-N 1 3 336.307 2.378 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C/C[NH2+][C@H]1CCc2c1cccc2F ZINC001268624714 1183547774 /nfs/dbraw/zinc/54/77/74/1183547774.db2.gz FUCUPQOUORACEP-KROLTMCQSA-N 1 3 331.435 2.171 10 0 EEAEHO CCOCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001269989125 1184767921 /nfs/dbraw/zinc/76/79/21/1184767921.db2.gz MPWDLWVOYHPDSE-VQIMIIECSA-N 1 3 347.503 2.367 10 0 EEAEHO COCCC[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CCCC1 ZINC001270798293 1185394978 /nfs/dbraw/zinc/39/49/78/1185394978.db2.gz BIAVMCGPXDQYPR-KRWDZBQOSA-N 1 3 339.524 2.304 10 0 EEAEHO CC(C)[NH+]1CCC(C(=O)N(C)[C@@H](C)CNCc2cncs2)CC1 ZINC001482346764 1185469209 /nfs/dbraw/zinc/46/92/09/1185469209.db2.gz BCKKUFOLTQEXMY-AWEZNQCLSA-N 1 3 338.521 2.200 10 0 EEAEHO COc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C)ccc1C ZINC001482367956 1185528320 /nfs/dbraw/zinc/52/83/20/1185528320.db2.gz CLLBCEFRTUPFAP-MRXNPFEDSA-N 1 3 335.492 2.280 10 0 EEAEHO Cc1oncc1CN[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001482538332 1186595106 /nfs/dbraw/zinc/59/51/06/1186595106.db2.gz SGONQGGEFFXEGT-KRWDZBQOSA-N 1 3 348.491 2.089 10 0 EEAEHO Cc1ccccc1C[NH+]1CC([C@@H](C)NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001409938856 1193484211 /nfs/dbraw/zinc/48/42/11/1193484211.db2.gz XUHMXWPVVVNGQK-NVXWUHKLSA-N 1 3 329.488 2.273 10 0 EEAEHO CCN(CCNCc1ccc(F)c(F)c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482962140 1187894694 /nfs/dbraw/zinc/89/46/94/1187894694.db2.gz DMHQYZUTRDRMGU-HNNXBMFYSA-N 1 3 339.430 2.245 10 0 EEAEHO CCN(CCNCc1ccc(F)c(F)c1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482962140 1187894700 /nfs/dbraw/zinc/89/47/00/1187894700.db2.gz DMHQYZUTRDRMGU-HNNXBMFYSA-N 1 3 339.430 2.245 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccc(OC)cc1 ZINC001483197300 1189081745 /nfs/dbraw/zinc/08/17/45/1189081745.db2.gz DYSQKRANNSVOAL-APWZRJJASA-N 1 3 347.503 2.206 10 0 EEAEHO C[C@H](CN(C)Cc1ccc2cc[nH]c2c1)NC(=O)CCC[NH+](C)C ZINC001483378339 1190420063 /nfs/dbraw/zinc/42/00/63/1190420063.db2.gz MCBKCPDNNLUQBB-OAHLLOKOSA-N 1 3 330.476 2.446 10 0 EEAEHO Cc1ccc(C[NH2+]CCCN(C)C(=O)CN2CC[C@@H](C)C2)cc1F ZINC001483492950 1190510286 /nfs/dbraw/zinc/51/02/86/1190510286.db2.gz NVTQHKHGWJCDIF-OAHLLOKOSA-N 1 3 335.467 2.414 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2cn(C(C)C)nc2C)C[C@@H]1C ZINC001486130742 1193689921 /nfs/dbraw/zinc/68/99/21/1193689921.db2.gz SJXXKEUNYWGZFY-YJBOKZPZSA-N 1 3 349.523 2.193 10 0 EEAEHO C[NH+](C)CCCC(=O)N[C@@]12CCC[C@@H]1N(Cc1ccccn1)CC2 ZINC001486147598 1193698145 /nfs/dbraw/zinc/69/81/45/1193698145.db2.gz KFDYRVBMXWQBLT-PKOBYXMFSA-N 1 3 330.476 2.037 10 0 EEAEHO COc1cccc([C@H](C)[NH2+]C2(CNC(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC001483767177 1191000671 /nfs/dbraw/zinc/00/06/71/1191000671.db2.gz CHJSRKKFSRTTGE-CVEARBPZSA-N 1 3 345.487 2.336 10 0 EEAEHO CC[NH+]1CCC(C)(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001484142134 1191237568 /nfs/dbraw/zinc/23/75/68/1191237568.db2.gz URHJSHHFGIMGEU-SFHVURJKSA-N 1 3 327.488 2.437 10 0 EEAEHO CC1CN(C(=O)C2CC2)CC1C[NH2+]CC(=O)NCCC1=CCCCC1 ZINC001484361136 1191317961 /nfs/dbraw/zinc/31/79/61/1191317961.db2.gz OOXXNIKLYGTGKH-QAPCUYQASA-N 1 3 347.503 2.087 10 0 EEAEHO COc1ccc(C)cc1C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001484910785 1191571350 /nfs/dbraw/zinc/57/13/50/1191571350.db2.gz YIMHYOSACIIYIP-AEFFLSMTSA-N 1 3 347.503 2.280 10 0 EEAEHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2N(C)C)C1)N(C)C ZINC001485103380 1191652871 /nfs/dbraw/zinc/65/28/71/1191652871.db2.gz QCPDOXPSLVIYKJ-VJFUWPCTSA-N 1 3 346.519 2.077 10 0 EEAEHO C[C@H](NCc1cncc(F)c1)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001485229629 1191698933 /nfs/dbraw/zinc/69/89/33/1191698933.db2.gz KKDHXYNGUZOICS-GJZGRUSLSA-N 1 3 336.455 2.080 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)C2CCC([NH2+]C/C=C\Cl)CC2)C1 ZINC001485241407 1191706371 /nfs/dbraw/zinc/70/63/71/1191706371.db2.gz FRHSJZJNZATZMA-MWKPYIFVSA-N 1 3 327.900 2.440 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)C/C=C/c1ccccc1 ZINC001485348856 1191749786 /nfs/dbraw/zinc/74/97/86/1191749786.db2.gz BXXUFEKRYQDXAO-CVRCPQJVSA-N 1 3 329.488 2.478 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)C/C=C/c1ccccc1 ZINC001485348856 1191749787 /nfs/dbraw/zinc/74/97/87/1191749787.db2.gz BXXUFEKRYQDXAO-CVRCPQJVSA-N 1 3 329.488 2.478 10 0 EEAEHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CCOc2ccc(C)cc2)C1)N(C)C ZINC001486480908 1193995126 /nfs/dbraw/zinc/99/51/26/1193995126.db2.gz RPNTYWINKIFBCA-TVPLGVNVSA-N 1 3 347.503 2.293 10 0 EEAEHO Cc1oncc1C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001410188055 1197593485 /nfs/dbraw/zinc/59/34/85/1197593485.db2.gz OWDBYFCABCEYBG-JZXOWHBKSA-N 1 3 348.491 2.040 10 0 EEAEHO Cc1oncc1C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001410188055 1197593486 /nfs/dbraw/zinc/59/34/86/1197593486.db2.gz OWDBYFCABCEYBG-JZXOWHBKSA-N 1 3 348.491 2.040 10 0 EEAEHO COC(=O)c1cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1C ZINC000872144286 1198054466 /nfs/dbraw/zinc/05/44/66/1198054466.db2.gz FPPSXICKMOBJAL-OALUTQOASA-N 1 3 346.471 2.500 10 0 EEAEHO c1nc2n(n1)[C@@H](CN1C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C1)CC2 ZINC000886648428 1202540072 /nfs/dbraw/zinc/54/00/72/1202540072.db2.gz SOZYVXXBWFQOMT-IPMKNSEASA-N 1 3 337.471 2.219 10 0 EEAEHO c1nc2n(n1)[C@@H](CN1C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C1)CC2 ZINC000886648428 1202540074 /nfs/dbraw/zinc/54/00/74/1202540074.db2.gz SOZYVXXBWFQOMT-IPMKNSEASA-N 1 3 337.471 2.219 10 0 EEAEHO CC(C)Oc1cccc(CNC/C=C\CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001274577823 1205085643 /nfs/dbraw/zinc/08/56/43/1205085643.db2.gz CRCJLGHDXDKGND-PYTPGESOSA-N 1 3 345.487 2.188 10 0 EEAEHO CC(C)Oc1cccc(CNC/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001274577823 1205085645 /nfs/dbraw/zinc/08/56/45/1205085645.db2.gz CRCJLGHDXDKGND-PYTPGESOSA-N 1 3 345.487 2.188 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C\C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001274578842 1205085808 /nfs/dbraw/zinc/08/58/08/1205085808.db2.gz OULQBOQQHORFFK-OYADATRGSA-N 1 3 329.435 2.170 10 0 EEAEHO CC[NH+]1CCC(C(=O)N[C@@H]2CN(C)CC2(C)C)(c2ccccc2)CC1 ZINC001412675765 1205823977 /nfs/dbraw/zinc/82/39/77/1205823977.db2.gz JLWABKPSRVXXSZ-GOSISDBHSA-N 1 3 343.515 2.497 10 0 EEAEHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CO[C@H](C)[C@H]2C)c1 ZINC000924931812 1206052175 /nfs/dbraw/zinc/05/21/75/1206052175.db2.gz LHSWEHQJTUGFRR-GPMSIDNRSA-N 1 3 336.476 2.157 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)cc2)CC1 ZINC000925312296 1206094147 /nfs/dbraw/zinc/09/41/47/1206094147.db2.gz HRFAGLPMOYGSBG-CRAIPNDOSA-N 1 3 345.491 2.043 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3C)cc2)CC1 ZINC000925312296 1206094149 /nfs/dbraw/zinc/09/41/49/1206094149.db2.gz HRFAGLPMOYGSBG-CRAIPNDOSA-N 1 3 345.491 2.043 10 0 EEAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCc1nnc2n1CCCCC2 ZINC000925575007 1206130380 /nfs/dbraw/zinc/13/03/80/1206130380.db2.gz XTKBEDGXHOHDJA-JLSDUUJJSA-N 1 3 331.508 2.303 10 0 EEAEHO CC1(C)[C@@H](NCCCc2nnc3n2CCCCC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925575007 1206130383 /nfs/dbraw/zinc/13/03/83/1206130383.db2.gz XTKBEDGXHOHDJA-JLSDUUJJSA-N 1 3 331.508 2.303 10 0 EEAEHO CC1(C)[C@H]([NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)[C@@H]2CCCN[C@@H]21 ZINC000925632104 1206137723 /nfs/dbraw/zinc/13/77/23/1206137723.db2.gz ZVTPALGASOKXQE-KVPLUYHFSA-N 1 3 341.499 2.401 10 0 EEAEHO CCn1cc([C@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)cn1 ZINC000925806848 1206155665 /nfs/dbraw/zinc/15/56/65/1206155665.db2.gz BNTCNXZVKHYQJW-INIZCTEOSA-N 1 3 327.476 2.159 10 0 EEAEHO Cc1nc2c(s1)[C@@H](NC[C@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCC2 ZINC000925851524 1206160992 /nfs/dbraw/zinc/16/09/92/1206160992.db2.gz FYFDXFGXPUVEIG-OLZOCXBDSA-N 1 3 335.473 2.104 10 0 EEAEHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+](C)[C@@H]3C)cc2)CC1 ZINC000928444321 1206385023 /nfs/dbraw/zinc/38/50/23/1206385023.db2.gz KQXXWZXUFLTWSM-APWZRJJASA-N 1 3 344.503 2.039 10 0 EEAEHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3C)cc2)CC1 ZINC000928444321 1206385025 /nfs/dbraw/zinc/38/50/25/1206385025.db2.gz KQXXWZXUFLTWSM-APWZRJJASA-N 1 3 344.503 2.039 10 0 EEAEHO Cc1cc(NC(=O)N(C)[C@@H]2CCCN(C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000930282982 1206546443 /nfs/dbraw/zinc/54/64/43/1206546443.db2.gz BNUNQDFCCIKVTA-MRXNPFEDSA-N 1 3 348.495 2.016 10 0 EEAEHO CN(C)[C@@H](CNC(=O)C[NH2+]C1([C@H]2CCCO2)CCC1)c1ccccc1 ZINC001413087225 1234034431 /nfs/dbraw/zinc/03/44/31/1234034431.db2.gz UQRPQHKRPFPXCY-ZWKOTPCHSA-N 1 3 345.487 2.097 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@@H](Nc3ccccc3)C2)cnn1C ZINC000903899848 1242398258 /nfs/dbraw/zinc/39/82/58/1242398258.db2.gz XOLNZBSYKGSEPN-YLJYHZDGSA-N 1 3 341.503 2.422 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2sccc2Cl)C1 ZINC001491071160 1258637251 /nfs/dbraw/zinc/63/72/51/1258637251.db2.gz ULKORBOATCGBLT-TXEJJXNPSA-N 1 3 329.897 2.480 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2sccc2Cl)C1 ZINC001491071160 1258637259 /nfs/dbraw/zinc/63/72/59/1258637259.db2.gz ULKORBOATCGBLT-TXEJJXNPSA-N 1 3 329.897 2.480 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1ccc(Cl)nc1 ZINC001491472526 1259117691 /nfs/dbraw/zinc/11/76/91/1259117691.db2.gz CERQYGOJRJIEPB-UKRRQHHQSA-N 1 3 338.883 2.204 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1ccc(Cl)nc1 ZINC001491472526 1259117694 /nfs/dbraw/zinc/11/76/94/1259117694.db2.gz CERQYGOJRJIEPB-UKRRQHHQSA-N 1 3 338.883 2.204 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cncs2)C1)N(C)C ZINC001267887495 1276752904 /nfs/dbraw/zinc/75/29/04/1276752904.db2.gz KXPSRJFUZMXXSA-GOEBONIOSA-N 1 3 338.521 2.202 10 0 EEAEHO Cc1nn(C)c(Cl)c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000850344539 1277188946 /nfs/dbraw/zinc/18/89/46/1277188946.db2.gz MBIIWMWVVSYSHE-UHFFFAOYSA-N 1 3 340.899 2.363 10 0 EEAEHO Cc1noc(C)c1CN[C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001490309116 1291180289 /nfs/dbraw/zinc/18/02/89/1291180289.db2.gz YBAVEAWQXAEVLZ-WMLDXEAASA-N 1 3 336.480 2.102 10 0 EEAEHO Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1N(C)C ZINC000854295664 1292706579 /nfs/dbraw/zinc/70/65/79/1292706579.db2.gz MLRBZDZZLVMLLK-INIZCTEOSA-N 1 3 349.523 2.455 10 0 EEAEHO Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1N(C)C ZINC000854295664 1292706585 /nfs/dbraw/zinc/70/65/85/1292706585.db2.gz MLRBZDZZLVMLLK-INIZCTEOSA-N 1 3 349.523 2.455 10 0 EEAEHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCc3nnn(C)c3C2)CC1 ZINC000927150812 1297037912 /nfs/dbraw/zinc/03/79/12/1297037912.db2.gz OIBQKJUEUGTIJU-UWWQBHOKSA-N 1 3 331.508 2.305 10 0 EEAEHO CC(C)OCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001278585780 1317279355 /nfs/dbraw/zinc/27/93/55/1317279355.db2.gz OCCLZJNJRCQEKE-IAGOWNOFSA-N 1 3 339.524 2.160 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NCc2ccccc2C[NH3+])cc(Cl)n1 ZINC001261491687 1322114708 /nfs/dbraw/zinc/11/47/08/1322114708.db2.gz CRXJVZYEXRSDMO-HNNXBMFYSA-N 1 3 332.835 2.208 10 0 EEAEHO CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCCCOC)C1)N(C)C ZINC001264119121 1322632360 /nfs/dbraw/zinc/63/23/60/1322632360.db2.gz UQNYLGAXQIWAQA-DLBZAZTESA-N 1 3 327.513 2.114 10 0 EEAEHO COc1ccc(C)cc1CN(C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001264988005 1322835734 /nfs/dbraw/zinc/83/57/34/1322835734.db2.gz UVSAQIWIDSUJHH-SJLPKXTDSA-N 1 3 347.503 2.282 10 0 EEAEHO COc1ccc(C)cc1CN(C)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001264988005 1322835741 /nfs/dbraw/zinc/83/57/41/1322835741.db2.gz UVSAQIWIDSUJHH-SJLPKXTDSA-N 1 3 347.503 2.282 10 0 EEAEHO CC(C)[C@@H](C(=O)NCCCN(C)Cc1ccc(Cl)nc1)[NH+](C)C ZINC001265956563 1323518088 /nfs/dbraw/zinc/51/80/88/1323518088.db2.gz SETNTNAOTXPHOB-INIZCTEOSA-N 1 3 340.899 2.259 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]CCOC3CCC3)C2)CCC1 ZINC001266060249 1323613185 /nfs/dbraw/zinc/61/31/85/1323613185.db2.gz SHJRSNNKQBGOSG-HOTGVXAUSA-N 1 3 337.508 2.057 10 0 EEAEHO CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001281968449 1325542334 /nfs/dbraw/zinc/54/23/34/1325542334.db2.gz NCKWIMXNVWJEKB-LJQANCHMSA-N 1 3 347.503 2.321 10 0 EEAEHO CCOCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001281968449 1325542340 /nfs/dbraw/zinc/54/23/40/1325542340.db2.gz NCKWIMXNVWJEKB-LJQANCHMSA-N 1 3 347.503 2.321 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001282487759 1325731671 /nfs/dbraw/zinc/73/16/71/1325731671.db2.gz YCPQMJVUCIPRGG-PWSUYJOCSA-N 1 3 347.290 2.281 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001282487759 1325731673 /nfs/dbraw/zinc/73/16/73/1325731673.db2.gz YCPQMJVUCIPRGG-PWSUYJOCSA-N 1 3 347.290 2.281 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCOCc2ccccc2)C[C@@H]1C ZINC001284035101 1326373453 /nfs/dbraw/zinc/37/34/53/1326373453.db2.gz ZJNFMFDUMNRZIM-HKUYNNGSSA-N 1 3 347.503 2.122 10 0 EEAEHO CN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001491827283 1330265965 /nfs/dbraw/zinc/26/59/65/1330265965.db2.gz YICNOIJOXYRJLZ-UILUVHTGSA-N 1 3 334.291 2.228 10 0 EEAEHO Cc1ccccc1CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001317312538 1332174803 /nfs/dbraw/zinc/17/48/03/1332174803.db2.gz IWBAHAFIMXCYIV-QUCCMNQESA-N 1 3 343.515 2.460 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCc3ccccc3F)C2)C1 ZINC001317336836 1332184314 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EEAEHO CC[N@@H+](CCNC(=O)Cc1nc[nH]c1C)CC[C@@H]1CC1(Cl)Cl ZINC001663447642 1354963443 /nfs/dbraw/zinc/96/34/43/1354963443.db2.gz SHLQGGIHZLPOMV-GFCCVEGCSA-N 1 3 347.290 2.283 10 0 EEAEHO Cc1ncc(CNCCN(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)s1 ZINC001664036315 1355077960 /nfs/dbraw/zinc/07/79/60/1355077960.db2.gz GSFOEQONTAXTJU-MRXNPFEDSA-N 1 3 338.521 2.120 10 0 EEAEHO Cc1ncc(CNCCN(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)s1 ZINC001664036315 1355077967 /nfs/dbraw/zinc/07/79/67/1355077967.db2.gz GSFOEQONTAXTJU-MRXNPFEDSA-N 1 3 338.521 2.120 10 0 EEAEHO C[C@@H](C[NH2+]CCC1CC1)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001666992237 1355628762 /nfs/dbraw/zinc/62/87/62/1355628762.db2.gz MFALVVLULNEOAY-KBXCAEBGSA-N 1 3 327.488 2.436 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC(F)(F)C1 ZINC001668059900 1355859499 /nfs/dbraw/zinc/85/94/99/1355859499.db2.gz KXGDDXKKDWDMFD-HIFRSBDPSA-N 1 3 331.451 2.389 10 0 EEAEHO Cc1nc(C)c(CNCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)o1 ZINC001668059346 1355859615 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EEAEHO COc1ccccc1[C@H](C)N(C)C(=O)CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923498443 789678535 /nfs/dbraw/zinc/67/85/35/789678535.db2.gz PPBGCCAPVJJFNM-JYJNAYRXSA-N 1 3 333.476 2.131 10 0 EEAEHO Cc1cc(C)cc(OCCN(C)C(=O)CN2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923499914 789683892 /nfs/dbraw/zinc/68/38/92/789683892.db2.gz ODTIEVAFOMJIDB-MSOLQXFVSA-N 1 3 347.503 2.057 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@@H]3CC[C@H]4C[C@H]43)CC2)CC1 ZINC000915493699 796282247 /nfs/dbraw/zinc/28/22/47/796282247.db2.gz ZXMUEIWIINPWCW-BXWFABGCSA-N 1 3 348.535 2.280 10 0 EEAEHO Cc1ccc(C[N@@H+](C)CCCNC(=O)CN2CC[C@@H](C)C2)cc1F ZINC001566491214 1125654247 /nfs/dbraw/zinc/65/42/47/1125654247.db2.gz QJMBMCPZTKDFEL-OAHLLOKOSA-N 1 3 335.467 2.414 10 0 EEAEHO Cc1ccc(C[N@H+](C)CCCNC(=O)CN2CC[C@@H](C)C2)cc1F ZINC001566491214 1125654253 /nfs/dbraw/zinc/65/42/53/1125654253.db2.gz QJMBMCPZTKDFEL-OAHLLOKOSA-N 1 3 335.467 2.414 10 0 EEAEHO CC(C)C[NH2+][C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001436804289 1088384632 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CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1sccc1Cl ZINC001438373784 1090852875 /nfs/dbraw/zinc/85/28/75/1090852875.db2.gz UWTSFHSUPMUTBW-VXGBXAGGSA-N 1 3 329.897 2.338 10 0 EEAEHO C[C@@H](CNCc1cncc(F)c1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001438672915 1091165312 /nfs/dbraw/zinc/16/53/12/1091165312.db2.gz FTHFRJXWSNEIHJ-AWEZNQCLSA-N 1 3 336.455 2.032 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]C/C(Cl)=C\Cl)[C@H](C)C1 ZINC001438771356 1091355268 /nfs/dbraw/zinc/35/52/68/1091355268.db2.gz ORXPZLRGNIRUFB-DQLFRSJESA-N 1 3 336.307 2.472 10 0 EEAEHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]Cc1ocnc1C ZINC001446023832 1092014332 /nfs/dbraw/zinc/01/43/32/1092014332.db2.gz ZQTZNXBQHDNJKK-HOTGVXAUSA-N 1 3 336.480 2.040 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1(C)CC[NH+](C[C@@H]2CC[C@H](C)O2)CC1 ZINC001439916484 1092992910 /nfs/dbraw/zinc/99/29/10/1092992910.db2.gz LHXJBPSSXHQRKL-IRXDYDNUSA-N 1 3 339.524 2.112 10 0 EEAEHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2c(C)nsc2C)C1)N(C)C ZINC001440363504 1093528685 /nfs/dbraw/zinc/52/86/85/1093528685.db2.gz HYZGYJHLZLJYQY-IIAWOOMASA-N 1 3 338.521 2.085 10 0 EEAEHO Cc1nocc1CN[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001441238365 1094622590 /nfs/dbraw/zinc/62/25/90/1094622590.db2.gz QOPSGUJIHRPLHB-YJBOKZPZSA-N 1 3 348.491 2.232 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@@H]([NH2+]CCC(F)(F)F)[C@@H]2C1 ZINC001441862195 1095967500 /nfs/dbraw/zinc/96/75/00/1095967500.db2.gz GLTOOECVFFRTDJ-IACUBPJLSA-N 1 3 344.381 2.121 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]C/C=C\Cl)C(C)(C)C1 ZINC001441942573 1096140427 /nfs/dbraw/zinc/14/04/27/1096140427.db2.gz XHSPWLKGRKVDMA-MJYKILKPSA-N 1 3 327.900 2.440 10 0 EEAEHO CCCN(C)CC(=O)N[C@H](C)C1CC[NH+](Cc2cncc(C)c2)CC1 ZINC001442205537 1096490142 /nfs/dbraw/zinc/49/01/42/1096490142.db2.gz SRNHJSXCWOEFTA-QGZVFWFLSA-N 1 3 346.519 2.449 10 0 EEAEHO CN(CCF)CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001443370680 1097891454 /nfs/dbraw/zinc/89/14/54/1097891454.db2.gz LMDKIMKSWAOXHC-SJORKVTESA-N 1 3 327.488 2.247 10 0 EEAEHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001443979375 1098496080 /nfs/dbraw/zinc/49/60/80/1098496080.db2.gz HSPYEWHFSGQIMT-YJBOKZPZSA-N 1 3 342.487 2.494 10 0 EEAEHO CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1cc(C)ccc1OC ZINC001444031892 1098550819 /nfs/dbraw/zinc/55/08/19/1098550819.db2.gz IVQLDUIKPQXXSK-AEFFLSMTSA-N 1 3 347.503 2.330 10 0 EEAEHO CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1cc(C)ccc1OC ZINC001444031892 1098550823 /nfs/dbraw/zinc/55/08/23/1098550823.db2.gz IVQLDUIKPQXXSK-AEFFLSMTSA-N 1 3 347.503 2.330 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C/C=C/Cl ZINC001479618987 1098644022 /nfs/dbraw/zinc/64/40/22/1098644022.db2.gz WJLAFDDQQVGFQE-RMINNSMZSA-N 1 3 339.911 2.250 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C/C=C/Cl ZINC001479618987 1098644025 /nfs/dbraw/zinc/64/40/25/1098644025.db2.gz WJLAFDDQQVGFQE-RMINNSMZSA-N 1 3 339.911 2.250 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H]2CCCCO2)CC1 ZINC001444193602 1098745430 /nfs/dbraw/zinc/74/54/30/1098745430.db2.gz UWRMPUYZSXJANG-KZNAEPCWSA-N 1 3 339.524 2.303 10 0 EEAEHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)CN(C)CC(C)(C)C)sn1 ZINC001444375672 1098952775 /nfs/dbraw/zinc/95/27/75/1098952775.db2.gz NQKSUAQKCMPJFB-CYBMUJFWSA-N 1 3 340.537 2.271 10 0 EEAEHO COc1cc(C[N@H+](C)CCCNC(=O)CN2CC[C@H](C)C2)ccc1C ZINC001479797074 1099014778 /nfs/dbraw/zinc/01/47/78/1099014778.db2.gz RLHCBNQUHPOFHX-INIZCTEOSA-N 1 3 347.503 2.284 10 0 EEAEHO COc1cc(C[N@@H+](C)CCCNC(=O)CN2CC[C@H](C)C2)ccc1C ZINC001479797074 1099014792 /nfs/dbraw/zinc/01/47/92/1099014792.db2.gz RLHCBNQUHPOFHX-INIZCTEOSA-N 1 3 347.503 2.284 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](CC)Cc1ccccn1 ZINC001479861551 1099174654 /nfs/dbraw/zinc/17/46/54/1099174654.db2.gz VYMDEWKFYIYUKV-SFHVURJKSA-N 1 3 332.492 2.284 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](CC)Cc1ccccn1 ZINC001479861551 1099174669 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COc1ccc(CN(C)C[C@@H]2CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001447775372 1103296577 /nfs/dbraw/zinc/29/65/77/1103296577.db2.gz SISUIGMPAQKHRQ-KRWDZBQOSA-N 1 3 333.476 2.070 10 0 EEAEHO Cc1cccc(OCCN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001448013430 1103798119 /nfs/dbraw/zinc/79/81/19/1103798119.db2.gz FLVMTFSFUJYTQB-ZHALLVOQSA-N 1 3 347.503 2.151 10 0 EEAEHO Cc1cccc(OCCN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001448013430 1103798129 /nfs/dbraw/zinc/79/81/29/1103798129.db2.gz FLVMTFSFUJYTQB-ZHALLVOQSA-N 1 3 347.503 2.151 10 0 EEAEHO CC(C)OCCN1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001448340872 1104427688 /nfs/dbraw/zinc/42/76/88/1104427688.db2.gz LIMPBIULDXNIQG-SJLPKXTDSA-N 1 3 339.524 2.111 10 0 EEAEHO CC(C)OCCN1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001448340872 1104427692 /nfs/dbraw/zinc/42/76/92/1104427692.db2.gz LIMPBIULDXNIQG-SJLPKXTDSA-N 1 3 339.524 2.111 10 0 EEAEHO CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)NCc1ccccn1 ZINC001495068392 1104707848 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EEAEHO CN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C(C)(C)C1 ZINC001456161638 1109107814 /nfs/dbraw/zinc/10/78/14/1109107814.db2.gz YUFOVHUKRLKBLA-SJLPKXTDSA-N 1 3 347.478 2.494 10 0 EEAEHO CN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C(C)(C)C1 ZINC001456161638 1109107816 /nfs/dbraw/zinc/10/78/16/1109107816.db2.gz YUFOVHUKRLKBLA-SJLPKXTDSA-N 1 3 347.478 2.494 10 0 EEAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CC2CC(F)(F)C2)CC1 ZINC001499461714 1112297925 /nfs/dbraw/zinc/29/79/25/1112297925.db2.gz NUGJXRAFZWKQTH-BETUJISGSA-N 1 3 329.435 2.143 10 0 EEAEHO CCOCCC[NH+]1CCC(C)(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001499981679 1112565038 /nfs/dbraw/zinc/56/50/38/1112565038.db2.gz IDLFZESOOHZJDQ-QGZVFWFLSA-N 1 3 339.524 2.257 10 0 EEAEHO C[C@H]1CCN(CC(=O)N[C@H](C[NH2+]Cc2cccnc2)C2CCCC2)C1 ZINC001500112362 1112622918 /nfs/dbraw/zinc/62/29/18/1112622918.db2.gz VGGGPIQEGOBGHK-QFBILLFUSA-N 1 3 344.503 2.188 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](C/C=C\Cl)C3)CCC1 ZINC001501006322 1113163572 /nfs/dbraw/zinc/16/35/72/1113163572.db2.gz SNMVOLTUSFGJRG-UNYOWURSSA-N 1 3 325.884 2.192 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](C/C=C\Cl)C3)CCC1 ZINC001501006322 1113163574 /nfs/dbraw/zinc/16/35/74/1113163574.db2.gz SNMVOLTUSFGJRG-UNYOWURSSA-N 1 3 325.884 2.192 10 0 EEAEHO CC[C@H](F)CNCCN(Cc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001501200099 1113239138 /nfs/dbraw/zinc/23/91/38/1113239138.db2.gz PMNFDQCGYPABIB-SFHVURJKSA-N 1 3 347.478 2.449 10 0 EEAEHO Cc1cnc([C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)CN(C)C(C)C)cn1 ZINC001505850436 1114232972 /nfs/dbraw/zinc/23/29/72/1114232972.db2.gz WDSXOXMYEVADRD-MRXNPFEDSA-N 1 3 349.523 2.260 10 0 EEAEHO CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001486254582 1193781639 /nfs/dbraw/zinc/78/16/39/1193781639.db2.gz VPKVLXUCOZIGLX-CHWSQXEVSA-N 1 3 337.430 2.211 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccnc(Cl)c1 ZINC001567976319 1124214351 /nfs/dbraw/zinc/21/43/51/1124214351.db2.gz AFFFHPDJGZPEPM-GOEBONIOSA-N 1 3 340.899 2.306 10 0 EEAEHO Cc1ncoc1CNCC[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001568392520 1124462245 /nfs/dbraw/zinc/46/22/45/1124462245.db2.gz QKBJEOWSSMKNRP-MRXNPFEDSA-N 1 3 336.480 2.186 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]CCc1ccccc1Cl ZINC001569094688 1125093211 /nfs/dbraw/zinc/09/32/11/1125093211.db2.gz XWONUHBUBXUYBT-LBPRGKRZSA-N 1 3 334.851 2.251 10 0 EEAEHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1cnccc1N ZINC000422733122 240198998 /nfs/dbraw/zinc/19/89/98/240198998.db2.gz ATUXFWNJGMGOAM-HNNXBMFYSA-N 1 3 328.460 2.328 10 0 EEAEHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCN2CCC[C@@H]2C1 ZINC000171900510 284006514 /nfs/dbraw/zinc/00/65/14/284006514.db2.gz CLWQAMCAKFDPTH-LJQANCHMSA-N 1 3 342.487 2.272 10 0 EEAEHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000268602597 252058500 /nfs/dbraw/zinc/05/85/00/252058500.db2.gz VGOBTDAZMNADBZ-VQIMIIECSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000268602597 252058504 /nfs/dbraw/zinc/05/85/04/252058504.db2.gz VGOBTDAZMNADBZ-VQIMIIECSA-N 1 3 344.503 2.385 10 0 EEAEHO CN1CCC(CC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000273192111 256274783 /nfs/dbraw/zinc/27/47/83/256274783.db2.gz IEPQIHXMAYPUQQ-FQEVSTJZSA-N 1 3 343.515 2.399 10 0 EEAEHO CN1CCC(CC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000273192111 256274784 /nfs/dbraw/zinc/27/47/84/256274784.db2.gz IEPQIHXMAYPUQQ-FQEVSTJZSA-N 1 3 343.515 2.399 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CCN1C ZINC000276054619 256398873 /nfs/dbraw/zinc/39/88/73/256398873.db2.gz AQDRJPIHIGRVCX-VQIMIIECSA-N 1 3 346.519 2.415 10 0 EEAEHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H](N3CC=CC3)C2)C1 ZINC000173893371 152205649 /nfs/dbraw/zinc/20/56/49/152205649.db2.gz PEFQCXXDDJEGCZ-MSOLQXFVSA-N 1 3 334.508 2.154 10 0 EEAEHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@H](N3CC=CC3)C2)C1 ZINC000173893371 152205651 /nfs/dbraw/zinc/20/56/51/152205651.db2.gz PEFQCXXDDJEGCZ-MSOLQXFVSA-N 1 3 334.508 2.154 10 0 EEAEHO CC[N@H+](CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C)C(C)C ZINC000102559666 159265269 /nfs/dbraw/zinc/26/52/69/159265269.db2.gz KTHKXFXMDAWASP-GOSISDBHSA-N 1 3 334.508 2.189 10 0 EEAEHO CC[N@@H+](CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C)C(C)C ZINC000102559666 159265270 /nfs/dbraw/zinc/26/52/70/159265270.db2.gz KTHKXFXMDAWASP-GOSISDBHSA-N 1 3 334.508 2.189 10 0 EEAEHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000352442884 162136713 /nfs/dbraw/zinc/13/67/13/162136713.db2.gz ZAEJZTSQLIMYLK-KBPBESRZSA-N 1 3 335.414 2.251 10 0 EEAEHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000352442884 162136714 /nfs/dbraw/zinc/13/67/14/162136714.db2.gz ZAEJZTSQLIMYLK-KBPBESRZSA-N 1 3 335.414 2.251 10 0 EEAEHO C[C@@H](NCCCN1CC[NH2+]CC1)c1ncc(-c2ccccc2)n1C ZINC000423192974 278345592 /nfs/dbraw/zinc/34/55/92/278345592.db2.gz WCWQWDKBQCDBQC-MRXNPFEDSA-N 1 3 327.476 2.033 10 0 EEAEHO CC[N@H+](C)C[C@H]1CCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000348870937 279038360 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10 0 EEAEHO CN(C)[C@@H](CNC(=O)c1ccccc1CC[NH3+])Cc1ccccc1 ZINC000566402561 319281737 /nfs/dbraw/zinc/28/17/37/319281737.db2.gz BQYKFTCCYVCDKZ-GOSISDBHSA-N 1 3 325.456 2.091 10 0 EEAEHO CN(CCC[NH+](C)C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000185240412 323434506 /nfs/dbraw/zinc/43/45/06/323434506.db2.gz WPGLGRKPMXDFPB-OAHLLOKOSA-N 1 3 338.521 2.478 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC1(F)CCC1 ZINC000358565455 465196141 /nfs/dbraw/zinc/19/61/41/465196141.db2.gz ZGKLBLSZKNTZPZ-INIZCTEOSA-N 1 3 342.503 2.326 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC1(F)CCC1 ZINC000358565455 465196148 /nfs/dbraw/zinc/19/61/48/465196148.db2.gz ZGKLBLSZKNTZPZ-INIZCTEOSA-N 1 3 342.503 2.326 10 0 EEAEHO O[C@@H]1[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)CCC12CCOCC2 ZINC000298150409 465316304 /nfs/dbraw/zinc/31/63/04/465316304.db2.gz ROWIGLTVDGMHRM-VQIMIIECSA-N 1 3 345.487 2.208 10 0 EEAEHO CN1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000108544316 463614364 /nfs/dbraw/zinc/61/43/64/463614364.db2.gz PMWVTNWRPRVEOL-LJQANCHMSA-N 1 3 344.503 2.423 10 0 EEAEHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170828706 463716166 /nfs/dbraw/zinc/71/61/66/463716166.db2.gz QDENWNQTOFTCAJ-LJQANCHMSA-N 1 3 344.503 2.305 10 0 EEAEHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](N)C2CCOCC2)CC1 ZINC000261627167 463807047 /nfs/dbraw/zinc/80/70/47/463807047.db2.gz CRFRUIYZKAQJMD-HNAYVOBHSA-N 1 3 345.487 2.082 10 0 EEAEHO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268923054 463809935 /nfs/dbraw/zinc/80/99/35/463809935.db2.gz XHKUBFQLYMRWNS-SFHLNBCPSA-N 1 3 344.547 2.123 10 0 EEAEHO C[N@@H+]1CC[C@]2(CCN(C[C@H]3CN(Cc4ccccc4)CCCO3)C2)C1 ZINC000292262728 464177700 /nfs/dbraw/zinc/17/77/00/464177700.db2.gz YSNXJHVPFITQJR-RTWAWAEBSA-N 1 3 343.515 2.305 10 0 EEAEHO C[N@H+]1CC[C@]2(CCN(C[C@H]3CN(Cc4ccccc4)CCCO3)C2)C1 ZINC000292262728 464177704 /nfs/dbraw/zinc/17/77/04/464177704.db2.gz YSNXJHVPFITQJR-RTWAWAEBSA-N 1 3 343.515 2.305 10 0 EEAEHO C[N@H+](CCCNC(=O)N1CC[C@H](N2CC=CC2)C1)Cc1ccccc1 ZINC000173535520 464279109 /nfs/dbraw/zinc/27/91/09/464279109.db2.gz SXMZBEZEQPJWML-IBGZPJMESA-N 1 3 342.487 2.164 10 0 EEAEHO C[N@@H+](CCCNC(=O)N1CC[C@H](N2CC=CC2)C1)Cc1ccccc1 ZINC000173535520 464279117 /nfs/dbraw/zinc/27/91/17/464279117.db2.gz SXMZBEZEQPJWML-IBGZPJMESA-N 1 3 342.487 2.164 10 0 EEAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(CN(C)C)c1 ZINC000247527911 464691093 /nfs/dbraw/zinc/69/10/93/464691093.db2.gz XGXAHGRVFDQHBH-QAPCUYQASA-N 1 3 330.476 2.126 10 0 EEAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(CN(C)C)c1 ZINC000247527911 464691098 /nfs/dbraw/zinc/69/10/98/464691098.db2.gz XGXAHGRVFDQHBH-QAPCUYQASA-N 1 3 330.476 2.126 10 0 EEAEHO C[C@H]1CCC[N@H+](CCNC(=O)N[C@H](CN(C)C)c2ccccc2)C1 ZINC000249512489 464881970 /nfs/dbraw/zinc/88/19/70/464881970.db2.gz UXPCSWYMGJCCAH-FUHWJXTLSA-N 1 3 332.492 2.320 10 0 EEAEHO C[C@H]1CCC[N@@H+](CCNC(=O)N[C@H](CN(C)C)c2ccccc2)C1 ZINC000249512489 464881975 /nfs/dbraw/zinc/88/19/75/464881975.db2.gz UXPCSWYMGJCCAH-FUHWJXTLSA-N 1 3 332.492 2.320 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000337357206 465325963 /nfs/dbraw/zinc/32/59/63/465325963.db2.gz FQWRDIDZPOLCFO-MJGOQNOKSA-N 1 3 344.503 2.435 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000337357206 465325967 /nfs/dbraw/zinc/32/59/67/465325967.db2.gz FQWRDIDZPOLCFO-MJGOQNOKSA-N 1 3 344.503 2.435 10 0 EEAEHO CN1CCC(O)(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000360954301 465661238 /nfs/dbraw/zinc/66/12/38/465661238.db2.gz LOQOBCPUIVJGKB-UHFFFAOYSA-N 1 3 334.460 2.188 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N(CCN(C)C)C(C)C)CC1 ZINC000372126192 466175182 /nfs/dbraw/zinc/17/51/82/466175182.db2.gz VKQLZNCLYLJUGA-UHFFFAOYSA-N 1 3 332.492 2.405 10 0 EEAEHO CN1CC[NH+](CC2(C)CCN(Cc3cnn4ccccc34)CC2)CC1 ZINC000363889616 466647264 /nfs/dbraw/zinc/64/72/64/466647264.db2.gz QCSDIHCVLJAFRC-UHFFFAOYSA-N 1 3 341.503 2.184 10 0 EEAEHO Fc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423196139 466694815 /nfs/dbraw/zinc/69/48/15/466694815.db2.gz ZAPUOMKQBJDEBR-GDAAHCPNSA-N 1 3 333.451 2.151 10 0 EEAEHO CN(Cc1cccc2c1CC[NH2+]C2)C[C@H](O)COCc1ccccc1 ZINC000662252637 472042908 /nfs/dbraw/zinc/04/29/08/472042908.db2.gz CLMPYHQZPWQJHK-FQEVSTJZSA-N 1 3 340.467 2.342 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417971113 467005976 /nfs/dbraw/zinc/00/59/76/467005976.db2.gz ADNPFZLOBRMQFB-CRAIPNDOSA-N 1 3 330.476 2.043 10 0 EEAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)N(C)C ZINC000418183584 467068179 /nfs/dbraw/zinc/06/81/79/467068179.db2.gz OLLZXDTXJZYOSD-LAQRGFTBSA-N 1 3 332.492 2.283 10 0 EEAEHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)N(C)C)cc1 ZINC000418208540 467076431 /nfs/dbraw/zinc/07/64/31/467076431.db2.gz QOTSNPZCKCTFGE-WBAXXEDZSA-N 1 3 348.491 2.208 10 0 EEAEHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)CN1CC[C@H](C)C1 ZINC000516876249 468052708 /nfs/dbraw/zinc/05/27/08/468052708.db2.gz RXRLRNHCFSYVBJ-AWEZNQCLSA-N 1 3 337.430 2.451 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@H]2CN(C)C)CC1 ZINC000532049703 468093006 /nfs/dbraw/zinc/09/30/06/468093006.db2.gz GGTBDBOHCRNUHG-KRWDZBQOSA-N 1 3 330.476 2.159 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@@H]2CN(C)C)CC1 ZINC000532049704 468093080 /nfs/dbraw/zinc/09/30/80/468093080.db2.gz GGTBDBOHCRNUHG-QGZVFWFLSA-N 1 3 330.476 2.159 10 0 EEAEHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000597406780 468546699 /nfs/dbraw/zinc/54/66/99/468546699.db2.gz VEWDILIXDFNAAU-MSOLQXFVSA-N 1 3 336.524 2.425 10 0 EEAEHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000597406780 468546704 /nfs/dbraw/zinc/54/67/04/468546704.db2.gz VEWDILIXDFNAAU-MSOLQXFVSA-N 1 3 336.524 2.425 10 0 EEAEHO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000583082934 468642498 /nfs/dbraw/zinc/64/24/98/468642498.db2.gz RNIHWZZEYASVSV-HNNXBMFYSA-N 1 3 342.447 2.133 10 0 EEAEHO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000583082934 468642500 /nfs/dbraw/zinc/64/25/00/468642500.db2.gz RNIHWZZEYASVSV-HNNXBMFYSA-N 1 3 342.447 2.133 10 0 EEAEHO [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000571174763 468751041 /nfs/dbraw/zinc/75/10/41/468751041.db2.gz VKGUAMTULSHWAB-KGXSXCIVSA-N 1 3 342.487 2.024 10 0 EEAEHO COC(=O)c1cccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000593322572 468938630 /nfs/dbraw/zinc/93/86/30/468938630.db2.gz MLRFCUNUYAPWCH-RCCFBDPRSA-N 1 3 332.444 2.334 10 0 EEAEHO CC[N@@H+]1CC[C@H](NC[C@H](Cc2ccc(F)cc2C)C(=O)NC)[C@H](C)C1 ZINC000563127518 469177631 /nfs/dbraw/zinc/17/76/31/469177631.db2.gz YGHLUXDHFNESGV-AYBZRNKSSA-N 1 3 349.494 2.359 10 0 EEAEHO CC[N@H+]1CC[C@H](NC[C@H](Cc2ccc(F)cc2C)C(=O)NC)[C@H](C)C1 ZINC000563127518 469177637 /nfs/dbraw/zinc/17/76/37/469177637.db2.gz YGHLUXDHFNESGV-AYBZRNKSSA-N 1 3 349.494 2.359 10 0 EEAEHO CN1CCC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000618552351 469386929 /nfs/dbraw/zinc/38/69/29/469386929.db2.gz QHAUMJGSGUOYLH-GOSISDBHSA-N 1 3 330.476 2.176 10 0 EEAEHO C[C@H](CNC(=O)Nc1ccc2c(c1)OCCNC2)C[NH+]1CCCC1 ZINC000625944047 469444485 /nfs/dbraw/zinc/44/44/85/469444485.db2.gz DYYHLDHIJFOCNE-CQSZACIVSA-N 1 3 332.448 2.022 10 0 EEAEHO C[C@H]1CN(c2ccc(C[NH2+][C@H]3CCN(C)C(C)(C)C3)cn2)CCO1 ZINC000623358009 469634024 /nfs/dbraw/zinc/63/40/24/469634024.db2.gz LKPPIGWYGDOTDI-RDJZCZTQSA-N 1 3 332.492 2.269 10 0 EEAEHO CC(C)[C@@H]1C[C@@H](CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000617506689 469705061 /nfs/dbraw/zinc/70/50/61/469705061.db2.gz WGEJVGQFSZMRBG-BZSNNMDCSA-N 1 3 341.540 2.216 10 0 EEAEHO CC(C)[C@@H]1C[C@@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000617506689 469705065 /nfs/dbraw/zinc/70/50/65/469705065.db2.gz WGEJVGQFSZMRBG-BZSNNMDCSA-N 1 3 341.540 2.216 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C[NH2+]1 ZINC000626939447 469763629 /nfs/dbraw/zinc/76/36/29/469763629.db2.gz DLKGDJUPUODLTC-NXHRZFHOSA-N 1 3 330.476 2.091 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C[NH2+]1 ZINC000627193834 469839167 /nfs/dbraw/zinc/83/91/67/469839167.db2.gz QQDYGLCFPGDYAK-AEFFLSMTSA-N 1 3 330.476 2.044 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)Cc2cccc(OC)c2)CC[N@@H+]1C ZINC000632750094 470266644 /nfs/dbraw/zinc/26/66/44/470266644.db2.gz QJQKKRDUPXZCER-RBUKOAKNSA-N 1 3 347.503 2.316 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)Cc2cccc(OC)c2)CC[N@H+]1C ZINC000632750094 470266646 /nfs/dbraw/zinc/26/66/46/470266646.db2.gz QJQKKRDUPXZCER-RBUKOAKNSA-N 1 3 347.503 2.316 10 0 EEAEHO CN1CCN(Cc2ccc(NC(=O)[C@@H]3[NH2+]CCCC3(C)C)cc2)CC1 ZINC000649350283 470556049 /nfs/dbraw/zinc/55/60/49/470556049.db2.gz YXBYJTZEKSIHFS-SFHVURJKSA-N 1 3 344.503 2.151 10 0 EEAEHO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000646335282 470608578 /nfs/dbraw/zinc/60/85/78/470608578.db2.gz ATDLLYHMHUWSFZ-RTBURBONSA-N 1 3 345.487 2.456 10 0 EEAEHO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000646335282 470608581 /nfs/dbraw/zinc/60/85/81/470608581.db2.gz ATDLLYHMHUWSFZ-RTBURBONSA-N 1 3 345.487 2.456 10 0 EEAEHO N[C@H](Cc1ccccc1)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000644162071 470875024 /nfs/dbraw/zinc/87/50/24/470875024.db2.gz LWQOEWCNDMJLEY-QRVBRYPASA-N 1 3 341.430 2.039 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCC1(C[NH3+])CC1 ZINC000652164255 471248238 /nfs/dbraw/zinc/24/82/38/471248238.db2.gz ILMIKMCFNSCURE-SJLPKXTDSA-N 1 3 344.503 2.325 10 0 EEAEHO CC(C)[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000660575113 471398739 /nfs/dbraw/zinc/39/87/39/471398739.db2.gz SBVWADMOLXXLNH-SFHVURJKSA-N 1 3 336.524 2.279 10 0 EEAEHO C[C@@H]1CN(Cc2nc3c(s2)CNCC3)c2cc(F)ccc2C[NH2+]1 ZINC000663494110 471399941 /nfs/dbraw/zinc/39/99/41/471399941.db2.gz MPCHSLRJVMBYDD-LLVKDONJSA-N 1 3 332.448 2.426 10 0 EEAEHO CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000666664401 471488393 /nfs/dbraw/zinc/48/83/93/471488393.db2.gz DFIPNLIEUAHDPM-CRAIPNDOSA-N 1 3 334.508 2.272 10 0 EEAEHO CN(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000666664401 471488396 /nfs/dbraw/zinc/48/83/96/471488396.db2.gz DFIPNLIEUAHDPM-CRAIPNDOSA-N 1 3 334.508 2.272 10 0 EEAEHO CN(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000666664402 471488468 /nfs/dbraw/zinc/48/84/68/471488468.db2.gz DFIPNLIEUAHDPM-MAUKXSAKSA-N 1 3 334.508 2.272 10 0 EEAEHO CN(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000666664402 471488471 /nfs/dbraw/zinc/48/84/71/471488471.db2.gz DFIPNLIEUAHDPM-MAUKXSAKSA-N 1 3 334.508 2.272 10 0 EEAEHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H](CN)C(F)(F)F)CC1 ZINC000655911671 471534880 /nfs/dbraw/zinc/53/48/80/471534880.db2.gz LGYXIMVKDRTFNE-CYBMUJFWSA-N 1 3 338.418 2.030 10 0 EEAEHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](CN)C(F)(F)F)CC1 ZINC000655911671 471534883 /nfs/dbraw/zinc/53/48/83/471534883.db2.gz LGYXIMVKDRTFNE-CYBMUJFWSA-N 1 3 338.418 2.030 10 0 EEAEHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655961895 471557870 /nfs/dbraw/zinc/55/78/70/471557870.db2.gz BUYRSXMKNJTJSL-QGTPRVQTSA-N 1 3 332.492 2.449 10 0 EEAEHO N[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC[C@H]1F ZINC000659429905 471622579 /nfs/dbraw/zinc/62/25/79/471622579.db2.gz YUDXQDNIFRBVDE-QZTJIDSGSA-N 1 3 348.466 2.253 10 0 EEAEHO CN(C)CCOc1cccc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000653945201 471785032 /nfs/dbraw/zinc/78/50/32/471785032.db2.gz NCVGCSNBJCNDDS-FZNQNYSPSA-N 1 3 334.464 2.089 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](c1cccnc1)C1CC1 ZINC000664542307 471788444 /nfs/dbraw/zinc/78/84/44/471788444.db2.gz JVODVXJMIQBDOQ-YJBOKZPZSA-N 1 3 347.507 2.104 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](c1cccnc1)C1CC1 ZINC000664542307 471788448 /nfs/dbraw/zinc/78/84/48/471788448.db2.gz JVODVXJMIQBDOQ-YJBOKZPZSA-N 1 3 347.507 2.104 10 0 EEAEHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccnn2-c2ccncc2)C1 ZINC000667682008 471864796 /nfs/dbraw/zinc/86/47/96/471864796.db2.gz XMCJKJSLEMEGJN-IBGZPJMESA-N 1 3 343.475 2.200 10 0 EEAEHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000667795987 471907028 /nfs/dbraw/zinc/90/70/28/471907028.db2.gz XMJMAQLTMPQENR-ZIAGYGMSSA-N 1 3 331.464 2.112 10 0 EEAEHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000667795985 471907178 /nfs/dbraw/zinc/90/71/78/471907178.db2.gz XMJMAQLTMPQENR-KBPBESRZSA-N 1 3 331.464 2.112 10 0 EEAEHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000665274865 471986726 /nfs/dbraw/zinc/98/67/26/471986726.db2.gz ZSMSJJZCONMZJQ-VBSBHUPXSA-N 1 3 343.515 2.178 10 0 EEAEHO C[NH2+]CCCC(=O)N1CCC(N[C@@H]2CCCc3cccnc32)CC1 ZINC000665289721 471991438 /nfs/dbraw/zinc/99/14/38/471991438.db2.gz VUQZXQVFGJTQPP-QGZVFWFLSA-N 1 3 330.476 2.039 10 0 EEAEHO OCCC[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@H]1CCCc2ccccc21 ZINC000662256852 472044447 /nfs/dbraw/zinc/04/44/47/472044447.db2.gz LPXGCFQVGDHWAW-HKUYNNGSSA-N 1 3 330.472 2.269 10 0 EEAEHO OCCC[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@H]1CCCc2ccccc21 ZINC000662256852 472044452 /nfs/dbraw/zinc/04/44/52/472044452.db2.gz LPXGCFQVGDHWAW-HKUYNNGSSA-N 1 3 330.472 2.269 10 0 EEAEHO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000684370241 485861529 /nfs/dbraw/zinc/86/15/29/485861529.db2.gz QGXPXGALFKQIHF-WOJBJXKFSA-N 1 3 331.504 2.481 10 0 EEAEHO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000684391217 485866587 /nfs/dbraw/zinc/86/65/87/485866587.db2.gz RAWLNRXWGZNTMF-ROUUACIJSA-N 1 3 333.476 2.025 10 0 EEAEHO COC[C@@H](CCC[NH3+])NCc1cc(Br)ccc1OC ZINC000422937855 536596845 /nfs/dbraw/zinc/59/68/45/536596845.db2.gz CXLDSIVPALMVHH-CYBMUJFWSA-N 1 3 331.254 2.301 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000914189093 683349728 /nfs/dbraw/zinc/34/97/28/683349728.db2.gz IHZUIIBAGFJHNC-NXHRZFHOSA-N 1 3 330.476 2.043 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000914189093 683349736 /nfs/dbraw/zinc/34/97/36/683349736.db2.gz IHZUIIBAGFJHNC-NXHRZFHOSA-N 1 3 330.476 2.043 10 0 EEAEHO Cc1ccnc(N)c1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000894999540 683465379 /nfs/dbraw/zinc/46/53/79/683465379.db2.gz MYUOASZFPYGDQI-UHFFFAOYSA-N 1 3 340.471 2.089 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C(C)(C)OC)CC2)CC1 ZINC000928601314 684775340 /nfs/dbraw/zinc/77/53/40/684775340.db2.gz CQKOBJWCCTYUQB-HNNXBMFYSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@H]1[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCN1C ZINC000925322457 692044087 /nfs/dbraw/zinc/04/40/87/692044087.db2.gz PPANSVJGADSUOW-OKZBNKHCSA-N 1 3 336.524 2.233 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1nccnc1C ZINC001485751105 1191932371 /nfs/dbraw/zinc/93/23/71/1191932371.db2.gz IIGNDQDTVPRMIU-QAPCUYQASA-N 1 3 347.507 2.034 10 0 EEAEHO CCOCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C(C)C ZINC001266868395 1177635452 /nfs/dbraw/zinc/63/54/52/1177635452.db2.gz WCNWXXAWIUTIDE-QZTJIDSGSA-N 1 3 339.524 2.257 10 0 EEAEHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]CCOC1CCC1)C1CCC1 ZINC001266870963 1177658755 /nfs/dbraw/zinc/65/87/55/1177658755.db2.gz RFEXYMJJWRMCDC-QGZVFWFLSA-N 1 3 337.508 2.011 10 0 EEAEHO Cc1cccc(OCC[NH2+][C@@H](C)CNC(=O)C(C)(C)N2CCCC2)c1 ZINC001266960210 1177910515 /nfs/dbraw/zinc/91/05/15/1177910515.db2.gz FQYFSDILMILOLN-KRWDZBQOSA-N 1 3 347.503 2.343 10 0 EEAEHO CN(C[C@@H]1CCN1CCCCc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001691413631 1178020782 /nfs/dbraw/zinc/02/07/82/1178020782.db2.gz SQZGSLUJIDQFFV-PMACEKPBSA-N 1 3 343.515 2.494 10 0 EEAEHO CN(C[C@@H]1CCN1CCCCc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001691413631 1178020791 /nfs/dbraw/zinc/02/07/91/1178020791.db2.gz SQZGSLUJIDQFFV-PMACEKPBSA-N 1 3 343.515 2.494 10 0 EEAEHO Cc1nn(C(C)C)cc1CNCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001691447436 1178836239 /nfs/dbraw/zinc/83/62/39/1178836239.db2.gz CMSQZYOLIWBFFD-RDJZCZTQSA-N 1 3 349.523 2.051 10 0 EEAEHO Cc1nn(C(C)C)cc1CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001691447436 1178836257 /nfs/dbraw/zinc/83/62/57/1178836257.db2.gz CMSQZYOLIWBFFD-RDJZCZTQSA-N 1 3 349.523 2.051 10 0 EEAEHO COc1cccc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C)c1C ZINC001267388134 1178950577 /nfs/dbraw/zinc/95/05/77/1178950577.db2.gz YFOFGTYPIHDGLD-SFHVURJKSA-N 1 3 335.492 2.138 10 0 EEAEHO CN(CC[NH2+]Cc1ccccc1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001267428887 1178995807 /nfs/dbraw/zinc/99/58/07/1178995807.db2.gz FZVSBTWDUGKEIL-IBGZPJMESA-N 1 3 335.467 2.447 10 0 EEAEHO C[C@@H]([NH2+]CCCCCF)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001267490450 1179161647 /nfs/dbraw/zinc/16/16/47/1179161647.db2.gz NHCSOARYRKINJV-NVXWUHKLSA-N 1 3 327.488 2.437 10 0 EEAEHO COCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001267930442 1180779938 /nfs/dbraw/zinc/77/99/38/1180779938.db2.gz FNBQVUMCLWECAB-KZNAEPCWSA-N 1 3 339.524 2.303 10 0 EEAEHO Cc1ncsc1CNCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001481319324 1181023887 /nfs/dbraw/zinc/02/38/87/1181023887.db2.gz AHEBGXRLBNUQID-MRXNPFEDSA-N 1 3 338.521 2.120 10 0 EEAEHO CN(CC[N@H+](C)CC[C@@H]1CC1(Cl)Cl)C(=O)[C@H]1CCCN1C ZINC001268246040 1182075223 /nfs/dbraw/zinc/07/52/23/1182075223.db2.gz WHHWHVIALYAUQE-CHWSQXEVSA-N 1 3 336.307 2.055 10 0 EEAEHO CN(CC[N@@H+](C)CC[C@@H]1CC1(Cl)Cl)C(=O)[C@H]1CCCN1C ZINC001268246040 1182075229 /nfs/dbraw/zinc/07/52/29/1182075229.db2.gz WHHWHVIALYAUQE-CHWSQXEVSA-N 1 3 336.307 2.055 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001268414957 1182571082 /nfs/dbraw/zinc/57/10/82/1182571082.db2.gz NMPNWVINKRYPPA-JSGCOSHPSA-N 1 3 326.872 2.060 10 0 EEAEHO Cc1ncoc1CNCC1(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001481912920 1182936821 /nfs/dbraw/zinc/93/68/21/1182936821.db2.gz KXXDJKJJIYMFOX-GASCZTMLSA-N 1 3 348.491 2.374 10 0 EEAEHO Cc1ncoc1CNCC1(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001481912920 1182936824 /nfs/dbraw/zinc/93/68/24/1182936824.db2.gz KXXDJKJJIYMFOX-GASCZTMLSA-N 1 3 348.491 2.374 10 0 EEAEHO Cc1ncccc1C[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001481991089 1183097495 /nfs/dbraw/zinc/09/74/95/1183097495.db2.gz JMHFRUGHIFEMII-SFHVURJKSA-N 1 3 346.519 2.449 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(C)ns2)CC1 ZINC001482027114 1183156267 /nfs/dbraw/zinc/15/62/67/1183156267.db2.gz XXZSDTYJGNZYIN-SHTZXODSSA-N 1 3 338.521 2.310 10 0 EEAEHO Cc1ncoc1CNCC[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001269759496 1184596767 /nfs/dbraw/zinc/59/67/67/1184596767.db2.gz CHKAJPDMYWBPRQ-INIZCTEOSA-N 1 3 336.480 2.043 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCc1scnc1C ZINC001482291787 1185124390 /nfs/dbraw/zinc/12/43/90/1185124390.db2.gz HYVBUFVMGBDMJJ-HIFRSBDPSA-N 1 3 338.521 2.262 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCc1scnc1C ZINC001482291787 1185124392 /nfs/dbraw/zinc/12/43/92/1185124392.db2.gz HYVBUFVMGBDMJJ-HIFRSBDPSA-N 1 3 338.521 2.262 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccc(F)cn1 ZINC001482444104 1185751253 /nfs/dbraw/zinc/75/12/53/1185751253.db2.gz IQTOPRCLCACZLD-MSOLQXFVSA-N 1 3 348.466 2.176 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C2CCC2)cc1 ZINC001270995137 1185797256 /nfs/dbraw/zinc/79/72/56/1185797256.db2.gz HSFFQYXAOOREMF-QGZVFWFLSA-N 1 3 331.504 2.458 10 0 EEAEHO CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1cc(C)no1)N(C)C ZINC001482461903 1185928905 /nfs/dbraw/zinc/92/89/05/1185928905.db2.gz LHHYRQNQEUJAFJ-DOTOQJQBSA-N 1 3 336.480 2.184 10 0 EEAEHO CCc1ccccc1CC[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001271206480 1186081747 /nfs/dbraw/zinc/08/17/47/1186081747.db2.gz FZWJEOPHUCAFLP-KRWDZBQOSA-N 1 3 331.504 2.324 10 0 EEAEHO Cc1cncc(CNC/C=C\CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)c1 ZINC001483025782 1188026105 /nfs/dbraw/zinc/02/61/05/1188026105.db2.gz YNVQSNFEZBSHCH-FPXQDXNASA-N 1 3 342.487 2.169 10 0 EEAEHO Cc1cncc(CNC/C=C\CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)c1 ZINC001483025782 1188026109 /nfs/dbraw/zinc/02/61/09/1188026109.db2.gz YNVQSNFEZBSHCH-FPXQDXNASA-N 1 3 342.487 2.169 10 0 EEAEHO Cc1ccc(CNC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)c(Cl)c1 ZINC001483184085 1189055699 /nfs/dbraw/zinc/05/56/99/1189055699.db2.gz IYUZZTCMDXSQIQ-CQSZACIVSA-N 1 3 335.879 2.339 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CC(F)(F)C1 ZINC001409582162 1190068729 /nfs/dbraw/zinc/06/87/29/1190068729.db2.gz WPDKVCAXIWSFCM-HIFRSBDPSA-N 1 3 331.451 2.343 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CC(F)(F)C1 ZINC001409582162 1190068734 /nfs/dbraw/zinc/06/87/34/1190068734.db2.gz WPDKVCAXIWSFCM-HIFRSBDPSA-N 1 3 331.451 2.343 10 0 EEAEHO CN(CCC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)[C@H]1CCCN1C ZINC001483455936 1190484902 /nfs/dbraw/zinc/48/49/02/1190484902.db2.gz IMRORQHIBCVASW-LSDHHAIUSA-N 1 3 331.451 2.344 10 0 EEAEHO CN(CCC[NH2+]Cc1ccncc1Cl)C(=O)CN(C)C1CCC1 ZINC001483470190 1190491978 /nfs/dbraw/zinc/49/19/78/1190491978.db2.gz NIQFGMMWDUKSOA-UHFFFAOYSA-N 1 3 338.883 2.157 10 0 EEAEHO Cc1ccncc1CN1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001409821254 1190653387 /nfs/dbraw/zinc/65/33/87/1190653387.db2.gz BVGCAXMHMNVTGH-GOSISDBHSA-N 1 3 332.492 2.203 10 0 EEAEHO Cc1cccnc1CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001484011461 1191154459 /nfs/dbraw/zinc/15/44/59/1191154459.db2.gz HFXWLXFTDBNQGC-IEBWSBKVSA-N 1 3 344.503 2.106 10 0 EEAEHO Cc1cccnc1CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001484011461 1191154460 /nfs/dbraw/zinc/15/44/60/1191154460.db2.gz HFXWLXFTDBNQGC-IEBWSBKVSA-N 1 3 344.503 2.106 10 0 EEAEHO Cc1cccnc1C[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001484550308 1191409801 /nfs/dbraw/zinc/40/98/01/1191409801.db2.gz RNYYYXZZZMBYFF-PKOBYXMFSA-N 1 3 346.519 2.304 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCCOC)CC1 ZINC001484717375 1191481268 /nfs/dbraw/zinc/48/12/68/1191481268.db2.gz WLENKWYARSSHKX-ROUUACIJSA-N 1 3 339.524 2.258 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCCOC)CC1 ZINC001484717375 1191481269 /nfs/dbraw/zinc/48/12/69/1191481269.db2.gz WLENKWYARSSHKX-ROUUACIJSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCCN(C)Cc1ccccn1 ZINC001484769484 1191512380 /nfs/dbraw/zinc/51/23/80/1191512380.db2.gz WDLSXBAHNJLJTA-CALCHBBNSA-N 1 3 332.492 2.235 10 0 EEAEHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCCN(C)Cc1ccccn1 ZINC001484769484 1191512381 /nfs/dbraw/zinc/51/23/81/1191512381.db2.gz WDLSXBAHNJLJTA-CALCHBBNSA-N 1 3 332.492 2.235 10 0 EEAEHO CCOCCC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001484906598 1191570356 /nfs/dbraw/zinc/57/03/56/1191570356.db2.gz MBZWTQXXLANBLA-QFBILLFUSA-N 1 3 347.503 2.225 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCC(C)(C)C ZINC001486302580 1193807224 /nfs/dbraw/zinc/80/72/24/1193807224.db2.gz FNMUZXUHNRUHKZ-DLBZAZTESA-N 1 3 341.540 2.094 10 0 EEAEHO Cc1ccc(F)c(CN[C@@H](C)CN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001410368315 1197758971 /nfs/dbraw/zinc/75/89/71/1197758971.db2.gz AVWCSPQASNFBAY-YJBOKZPZSA-N 1 3 347.478 2.412 10 0 EEAEHO C[C@H]1[C@H](NCc2ccccc2OC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001410869936 1198515764 /nfs/dbraw/zinc/51/57/64/1198515764.db2.gz WYEGVONFXZGZPB-MAUKXSAKSA-N 1 3 345.487 2.259 10 0 EEAEHO CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000811524876 1200106575 /nfs/dbraw/zinc/10/65/75/1200106575.db2.gz OXVIPNDTPOQQHU-DPXCBNATSA-N 1 3 325.472 2.283 10 0 EEAEHO CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000811524876 1200106580 /nfs/dbraw/zinc/10/65/80/1200106580.db2.gz OXVIPNDTPOQQHU-DPXCBNATSA-N 1 3 325.472 2.283 10 0 EEAEHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCCCC(F)(F)F ZINC001274261052 1204978038 /nfs/dbraw/zinc/97/80/38/1204978038.db2.gz ORLXRJNCSCOXAT-AAEUAGOBSA-N 1 3 332.370 2.121 10 0 EEAEHO COc1ccc(CNC/C=C\CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001274310275 1204993073 /nfs/dbraw/zinc/99/30/73/1204993073.db2.gz OKNNIVNZSYMNHS-CJEFGCBOSA-N 1 3 345.487 2.188 10 0 EEAEHO COc1ccc(CNC/C=C\CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001274310275 1204993075 /nfs/dbraw/zinc/99/30/75/1204993075.db2.gz OKNNIVNZSYMNHS-CJEFGCBOSA-N 1 3 345.487 2.188 10 0 EEAEHO COCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001275768711 1205519118 /nfs/dbraw/zinc/51/91/18/1205519118.db2.gz PXZDELWZYNLJOD-IRXDYDNUSA-N 1 3 339.524 2.162 10 0 EEAEHO COC1(OC)CC[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000924794961 1206033093 /nfs/dbraw/zinc/03/30/93/1206033093.db2.gz JYUUWYBARGLDNM-IBGZPJMESA-N 1 3 347.503 2.330 10 0 EEAEHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000925254764 1206087596 /nfs/dbraw/zinc/08/75/96/1206087596.db2.gz ATHNMDFNPNLFMJ-HQPYMTOTSA-N 1 3 341.499 2.150 10 0 EEAEHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000925254764 1206087599 /nfs/dbraw/zinc/08/75/99/1206087599.db2.gz ATHNMDFNPNLFMJ-HQPYMTOTSA-N 1 3 341.499 2.150 10 0 EEAEHO C(Cc1nnc2n1CCCCC2)N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925534257 1206124582 /nfs/dbraw/zinc/12/45/82/1206124582.db2.gz UFSYCSWCIXHICJ-DLBZAZTESA-N 1 3 331.508 2.305 10 0 EEAEHO COc1ccc(C)cc1[C@H](C)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853004 1206160864 /nfs/dbraw/zinc/16/08/64/1206160864.db2.gz JDLYNXGGGQDSIX-LSDHHAIUSA-N 1 3 332.444 2.340 10 0 EEAEHO CCOc1ccccc1[C@@H](C)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858956 1206162181 /nfs/dbraw/zinc/16/21/81/1206162181.db2.gz XBEMKEGQEXAHIB-HUUCEWRRSA-N 1 3 332.444 2.421 10 0 EEAEHO Cc1nnsc1[C@@H](C)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000930130662 1206536531 /nfs/dbraw/zinc/53/65/31/1206536531.db2.gz RSPIGFFIZNHKTG-OAHLLOKOSA-N 1 3 337.537 2.398 10 0 EEAEHO c1ccc(C[N@H+]2CC[C@H]3CN(C[C@H]4CCC5(COC5)O4)C[C@H]3C2)cc1 ZINC000931746524 1207455005 /nfs/dbraw/zinc/45/50/05/1207455005.db2.gz FZGNDFBXDHSZJR-XUVXKRRUSA-N 1 3 342.483 2.388 10 0 EEAEHO c1ccc(C[N@@H+]2CC[C@H]3CN(C[C@H]4CCC5(COC5)O4)C[C@H]3C2)cc1 ZINC000931746524 1207455007 /nfs/dbraw/zinc/45/50/07/1207455007.db2.gz FZGNDFBXDHSZJR-XUVXKRRUSA-N 1 3 342.483 2.388 10 0 EEAEHO CC[NH+](CC)C[C@H](C)NC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000827777408 1248708461 /nfs/dbraw/zinc/70/84/61/1248708461.db2.gz SLNHKXWLEKUVNA-JSGCOSHPSA-N 1 3 326.872 2.280 10 0 EEAEHO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496344 1240671197 /nfs/dbraw/zinc/67/11/97/1240671197.db2.gz LANLNTLRIMQDMS-RBSFLKMASA-N 1 3 347.459 2.092 10 0 EEAEHO c1cc([C@@H]2CCCN2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc2c1OCO2 ZINC000903729175 1241743003 /nfs/dbraw/zinc/74/30/03/1241743003.db2.gz JYWBEYJAXBHCCT-BXWFABGCSA-N 1 3 330.428 2.321 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CN(C)CCCOc2ccc(F)cc2)cnn1C ZINC000903886719 1242326522 /nfs/dbraw/zinc/32/65/22/1242326522.db2.gz VERJSJDTJKQXST-INIZCTEOSA-N 1 3 348.466 2.386 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CN2CCC3(CCSCC3)CC2)cnn1C ZINC000903934424 1242563058 /nfs/dbraw/zinc/56/30/58/1242563058.db2.gz GVPQICQSGJRQQD-INIZCTEOSA-N 1 3 336.549 2.455 10 0 EEAEHO Cc1csc([C@H]2CCN(C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)n1 ZINC000903937780 1242585354 /nfs/dbraw/zinc/58/53/54/1242585354.db2.gz RDHFCFIUGQKOJW-GJZGRUSLSA-N 1 3 333.505 2.100 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](NCc2cc(Cl)ccc2F)C1 ZINC001490924853 1258486830 /nfs/dbraw/zinc/48/68/30/1258486830.db2.gz QIDCKAYYPCTENS-HDJSIYSDSA-N 1 3 327.831 2.168 10 0 EEAEHO CC[C@@H](F)C[NH2+]C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001491181879 1258746602 /nfs/dbraw/zinc/74/66/02/1258746602.db2.gz RUYRXVXAPLBONR-IAGOWNOFSA-N 1 3 327.488 2.295 10 0 EEAEHO CCN(CCNCc1c(C)nsc1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001273710525 1283848051 /nfs/dbraw/zinc/84/80/51/1283848051.db2.gz XXAFEPUWBHHZCP-OAHLLOKOSA-N 1 3 338.521 2.040 10 0 EEAEHO CCN(CCNCc1c(C)nsc1C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001273710525 1283848064 /nfs/dbraw/zinc/84/80/64/1283848064.db2.gz XXAFEPUWBHHZCP-OAHLLOKOSA-N 1 3 338.521 2.040 10 0 EEAEHO CC(C)OCCCN1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001490566809 1291464281 /nfs/dbraw/zinc/46/42/81/1291464281.db2.gz DHJLAEVCJINOOH-IBGZPJMESA-N 1 3 347.503 2.367 10 0 EEAEHO CCOP(=O)(OCC)[C@H](O)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000851785547 1291831013 /nfs/dbraw/zinc/83/10/13/1291831013.db2.gz QLVCEJQZAJOZOH-CVEARBPZSA-N 1 3 348.424 2.379 10 0 EEAEHO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000851785547 1291831016 /nfs/dbraw/zinc/83/10/16/1291831016.db2.gz QLVCEJQZAJOZOH-CVEARBPZSA-N 1 3 348.424 2.379 10 0 EEAEHO CCOP(=O)(OCC)[C@H](O)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000851785547 1291831018 /nfs/dbraw/zinc/83/10/18/1291831018.db2.gz QLVCEJQZAJOZOH-CVEARBPZSA-N 1 3 348.424 2.379 10 0 EEAEHO Cc1cc(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c(C)s1 ZINC000863549235 1296329422 /nfs/dbraw/zinc/32/94/22/1296329422.db2.gz DOKORYRIWPVFMP-CVEARBPZSA-N 1 3 335.473 2.122 10 0 EEAEHO CCOCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001277475211 1303569987 /nfs/dbraw/zinc/56/99/87/1303569987.db2.gz XETRRMOCJZBEQF-LJQANCHMSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001277475211 1303569991 /nfs/dbraw/zinc/56/99/91/1303569991.db2.gz XETRRMOCJZBEQF-LJQANCHMSA-N 1 3 339.524 2.068 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CCCOc1ccccc1 ZINC001277947864 1305246155 /nfs/dbraw/zinc/24/61/55/1305246155.db2.gz QKUCNKMHQWHYHP-KRWDZBQOSA-N 1 3 342.443 2.002 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@@H](C[NH2+]C/C=C\Cl)C2CCCC2)C1 ZINC001278273791 1308945583 /nfs/dbraw/zinc/94/55/83/1308945583.db2.gz ABXUWWFXGMKDTC-KMWJSLMQSA-N 1 3 327.900 2.345 10 0 EEAEHO CCC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C(F)(F)F ZINC001278705636 1317803766 /nfs/dbraw/zinc/80/37/66/1317803766.db2.gz XSIWWVHXZFIJPL-GJZGRUSLSA-N 1 3 349.441 2.355 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001264301652 1322669664 /nfs/dbraw/zinc/66/96/64/1322669664.db2.gz YQTDDFCMGHDMOY-UKRRQHHQSA-N 1 3 338.883 2.012 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001265494238 1323182305 /nfs/dbraw/zinc/18/23/05/1323182305.db2.gz KUKGGVLMJUWYNF-BHIYHBOVSA-N 1 3 329.488 2.198 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2cccnc2)C1 ZINC001280307738 1324152524 /nfs/dbraw/zinc/15/25/24/1324152524.db2.gz NYXLXAFKDNCWPQ-MJGOQNOKSA-N 1 3 344.503 2.284 10 0 EEAEHO CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]1C ZINC001281684549 1325398695 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EEAEHO COc1cccc(CN2CC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1C ZINC001316990772 1332033293 /nfs/dbraw/zinc/03/32/93/1332033293.db2.gz JQDSTVVYONCDRJ-GOSISDBHSA-N 1 3 347.503 2.426 10 0 EEAEHO Cc1ncccc1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001319735503 1332753534 /nfs/dbraw/zinc/75/35/34/1332753534.db2.gz GDUMWEMWGCJPEB-RTBURBONSA-N 1 3 344.503 2.345 10 0 EEAEHO CC1CCN(CC(=O)NC/C=C\C[NH2+]Cc2cccc(F)c2)CC1 ZINC001321305845 1333069475 /nfs/dbraw/zinc/06/94/75/1333069475.db2.gz TVPQFEFKHPQGET-IHWYPQMZSA-N 1 3 333.451 2.320 10 0 EEAEHO CC(C)OCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001322335940 1333249215 /nfs/dbraw/zinc/24/92/15/1333249215.db2.gz HGVQRNVGGLQBBB-DLBZAZTESA-N 1 3 339.524 2.160 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc(F)cc1F)N(C)C ZINC001322684556 1333307096 /nfs/dbraw/zinc/30/70/96/1333307096.db2.gz ZOBULNVYPYKQKQ-QGZVFWFLSA-N 1 3 341.446 2.489 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001322694046 1333308536 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CC(C)COCC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001328262657 1334430220 /nfs/dbraw/zinc/43/02/20/1334430220.db2.gz YPECRTYNJDONLK-IRXDYDNUSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)COCC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001328262657 1334430223 /nfs/dbraw/zinc/43/02/23/1334430223.db2.gz YPECRTYNJDONLK-IRXDYDNUSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCCC[C@H]2C[NH2+]CCF)C1 ZINC001328644384 1334493318 /nfs/dbraw/zinc/49/33/18/1334493318.db2.gz XVUCIYAXCMSUKG-WMLDXEAASA-N 1 3 331.451 2.139 10 0 EEAEHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(Cl)nc2)C1)N(C)C ZINC001328939831 1334552634 /nfs/dbraw/zinc/55/26/34/1334552634.db2.gz BKIHFZYIWNTWAA-NRXISQOPSA-N 1 3 338.883 2.060 10 0 EEAEHO COCCCC[NH2+]C1CCC(N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001329244062 1334613960 /nfs/dbraw/zinc/61/39/60/1334613960.db2.gz QRJSNTSCFPLPMX-WWDZGPRUSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]CC[C@@H]2CCOC2)CCCCC1 ZINC001329860548 1334728572 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EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001436359666 1342050459 /nfs/dbraw/zinc/05/04/59/1342050459.db2.gz RGFPPRBPHJNMGS-WCXIOVBPSA-N 1 3 327.488 2.482 10 0 EEAEHO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H](NCc2c(C)nsc2C)C1 ZINC001436392575 1342070062 /nfs/dbraw/zinc/07/00/62/1342070062.db2.gz UBJRJCJJEQQCGK-SHTZXODSSA-N 1 3 338.521 2.086 10 0 EEAEHO CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H](NCc2c(C)nsc2C)C1 ZINC001436392575 1342070065 /nfs/dbraw/zinc/07/00/65/1342070065.db2.gz UBJRJCJJEQQCGK-SHTZXODSSA-N 1 3 338.521 2.086 10 0 EEAEHO CN(CC(=O)NC[C@@H]1C[N@H+](CC2CCC2)CCC1(F)F)C1CCC1 ZINC001500611303 1342186231 /nfs/dbraw/zinc/18/62/31/1342186231.db2.gz QCTFZDGODUWFAQ-OAHLLOKOSA-N 1 3 343.462 2.344 10 0 EEAEHO CN(CC(=O)NC[C@@H]1C[N@@H+](CC2CCC2)CCC1(F)F)C1CCC1 ZINC001500611303 1342186233 /nfs/dbraw/zinc/18/62/33/1342186233.db2.gz QCTFZDGODUWFAQ-OAHLLOKOSA-N 1 3 343.462 2.344 10 0 EEAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCC[C@@H]1CCOC1 ZINC001567016611 1342679593 /nfs/dbraw/zinc/67/95/93/1342679593.db2.gz JMVFXRJQMXIDSR-DLBZAZTESA-N 1 3 339.524 2.162 10 0 EEAEHO Cc1ncoc1C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001570009472 1342998388 /nfs/dbraw/zinc/99/83/88/1342998388.db2.gz GVAIQHUSNWXDFK-QGZVFWFLSA-N 1 3 348.491 2.043 10 0 EEAEHO C[C@@H](NCc1ccc(Cl)nc1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001570626862 1343093682 /nfs/dbraw/zinc/09/36/82/1343093682.db2.gz HUXRZGWCUPHSPD-OLZOCXBDSA-N 1 3 338.883 2.060 10 0 EEAEHO CN(CC(=O)N(C)[C@@H](C[NH2+]CCC(F)(F)F)C1CC1)C1CCC1 ZINC001676221401 1357122217 /nfs/dbraw/zinc/12/22/17/1357122217.db2.gz CMIOTOPJVSYOEQ-AWEZNQCLSA-N 1 3 335.414 2.250 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@@H]1CC12CCN(Cc1ccccn1)CC2 ZINC001661079346 1354587734 /nfs/dbraw/zinc/58/77/34/1354587734.db2.gz XREQKBOHIISEBI-GOSISDBHSA-N 1 3 344.503 2.284 10 0 EEAEHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001662713270 1354830387 /nfs/dbraw/zinc/83/03/87/1354830387.db2.gz YZYMSWRSGOOJHE-OCCSQVGLSA-N 1 3 336.307 2.330 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCOC(C)C)C1 ZINC001662728654 1354833344 /nfs/dbraw/zinc/83/33/44/1354833344.db2.gz RKCAOLMDXFXICO-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2ccnc(Cl)c2)CC[N@@H+]1C ZINC001663940670 1355057624 /nfs/dbraw/zinc/05/76/24/1355057624.db2.gz FNEIMHPMCAYYOD-LSDHHAIUSA-N 1 3 338.883 2.013 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2ccnc(Cl)c2)CC[N@H+]1C ZINC001663940670 1355057629 /nfs/dbraw/zinc/05/76/29/1355057629.db2.gz FNEIMHPMCAYYOD-LSDHHAIUSA-N 1 3 338.883 2.013 10 0 EEAEHO CCN(CCNCc1cn(C(C)C)nc1C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668435858 1355940261 /nfs/dbraw/zinc/94/02/61/1355940261.db2.gz WUBSMRWONSGLEX-SJLPKXTDSA-N 1 3 349.523 2.051 10 0 EEAEHO CCN(CCNCc1cn(C(C)C)nc1C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001668435858 1355940264 /nfs/dbraw/zinc/94/02/64/1355940264.db2.gz WUBSMRWONSGLEX-SJLPKXTDSA-N 1 3 349.523 2.051 10 0 EEAEHO CCN(CCNCc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668641265 1355977995 /nfs/dbraw/zinc/97/79/95/1355977995.db2.gz OQKUBQDJEJJAEC-CQSZACIVSA-N 1 3 341.858 2.369 10 0 EEAEHO CCN(CCNCc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001668641265 1355977999 /nfs/dbraw/zinc/97/79/99/1355977999.db2.gz OQKUBQDJEJJAEC-CQSZACIVSA-N 1 3 341.858 2.369 10 0 EEAEHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNCc1ccc(C)nc1C ZINC001669206768 1356125302 /nfs/dbraw/zinc/12/53/02/1356125302.db2.gz HIYJZNFCLDAPIL-LIXSYLKWSA-N 1 3 344.503 2.335 10 0 EEAEHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNCc1ccc(C)nc1C ZINC001669206768 1356125304 /nfs/dbraw/zinc/12/53/04/1356125304.db2.gz HIYJZNFCLDAPIL-LIXSYLKWSA-N 1 3 344.503 2.335 10 0 EEAEHO C[C@@]1(C[NH2+]CCc2ccccc2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001671790465 1356415339 /nfs/dbraw/zinc/41/53/39/1356415339.db2.gz RUGXPSOMSPDZBE-IBGZPJMESA-N 1 3 326.444 2.023 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC[C@H]1CCCC1(F)F)N(C)C ZINC001699367042 1405341045 /nfs/dbraw/zinc/34/10/45/1405341045.db2.gz XBKQXTSIFQLXMW-KFWWJZLASA-N 1 3 333.467 2.492 10 0 EEAEHO C[C@H](F)CC[NH2+]Cc1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001698716666 1405020347 /nfs/dbraw/zinc/02/03/47/1405020347.db2.gz QMMSNPWMJUYHSG-HOTGVXAUSA-N 1 3 335.467 2.482 10 0 EEAEHO COCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001699012420 1405226677 /nfs/dbraw/zinc/22/66/77/1405226677.db2.gz DOTIHHLOIMWLAG-SJORKVTESA-N 1 3 339.524 2.162 10 0 EEAEHO COc1cccc(CNC/C=C\CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001699257421 1405297889 /nfs/dbraw/zinc/29/78/89/1405297889.db2.gz PCEJXPAAZKAJQT-HMECNJMJSA-N 1 3 345.487 2.330 10 0 EEAEHO COc1cccc(CNC/C=C\CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001699257421 1405297893 /nfs/dbraw/zinc/29/78/93/1405297893.db2.gz PCEJXPAAZKAJQT-HMECNJMJSA-N 1 3 345.487 2.330 10 0 EEAEHO CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001699843812 1405522815 /nfs/dbraw/zinc/52/28/15/1405522815.db2.gz FOFMRQGQCRCLNQ-MSOLQXFVSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(N2CCCCC2=O)cc1 ZINC000817894984 785051981 /nfs/dbraw/zinc/05/19/81/785051981.db2.gz PVWZHTDBHGTQBR-WBAXXEDZSA-N 1 3 331.460 2.045 10 0 EEAEHO CC[NH+]1CCC(N(C)C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000844168553 788882660 /nfs/dbraw/zinc/88/26/60/788882660.db2.gz IGKJATWUGRNHJO-HNNXBMFYSA-N 1 3 338.883 2.376 10 0 EEAEHO C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)c1cccnc1 ZINC000923170661 789048517 /nfs/dbraw/zinc/04/85/17/789048517.db2.gz LFKGFJOTTZZFTB-IAGOWNOFSA-N 1 3 347.507 2.246 10 0 EEAEHO COc1cc2c(cc1OC)C(C)(C)N(C[C@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC000923425434 789528055 /nfs/dbraw/zinc/52/80/55/789528055.db2.gz FULXKVPQUOHXHP-OAHLLOKOSA-N 1 3 346.471 2.176 10 0 EEAEHO Cc1ccc(C[NH2+][C@@H](CNC(=O)CN(C)C2CCC2)C2CC2)c(C)n1 ZINC001436794841 1088360351 /nfs/dbraw/zinc/36/03/51/1088360351.db2.gz XSCYPZYDSKLLRH-IBGZPJMESA-N 1 3 344.503 2.167 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1)N(C)C ZINC001436953672 1088639100 /nfs/dbraw/zinc/63/91/00/1088639100.db2.gz KOEIEQDLHVCBRO-VBQJREDUSA-N 1 3 339.430 2.288 10 0 EEAEHO Cc1ncc(CN[C@H]2CCC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001437321029 1089482837 /nfs/dbraw/zinc/48/28/37/1089482837.db2.gz IKFGEAXCQRARIX-DLBZAZTESA-N 1 3 348.491 2.376 10 0 EEAEHO COc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1C ZINC001437325917 1089495422 /nfs/dbraw/zinc/49/54/22/1089495422.db2.gz LWIVNEZCJCVCSD-KRWDZBQOSA-N 1 3 347.503 2.282 10 0 EEAEHO CN(C/C=C\Cl)C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001437973768 1090565227 /nfs/dbraw/zinc/56/52/27/1090565227.db2.gz GYSRSCZWDVAVDW-LWAXHKBTSA-N 1 3 339.911 2.395 10 0 EEAEHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCC(F)(F)F)C1 ZINC001437980192 1090572406 /nfs/dbraw/zinc/57/24/06/1090572406.db2.gz UDJHNWCJJBLJCO-UONOGXRCSA-N 1 3 335.414 2.203 10 0 EEAEHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCC(F)(F)F)C1 ZINC001437980192 1090572408 /nfs/dbraw/zinc/57/24/08/1090572408.db2.gz UDJHNWCJJBLJCO-UONOGXRCSA-N 1 3 335.414 2.203 10 0 EEAEHO Cc1ncc(CN2CCC3(C2)CCN(C(=O)CCC[NH+](C)C)CC3)o1 ZINC001438464730 1090971812 /nfs/dbraw/zinc/97/18/12/1090971812.db2.gz OWHBNDMXPFWMSA-UHFFFAOYSA-N 1 3 348.491 2.139 10 0 EEAEHO Cc1ccc(F)c(CNC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001445600134 1091393674 /nfs/dbraw/zinc/39/36/74/1091393674.db2.gz RDFWTDQBLGFFIK-JYJNAYRXSA-N 1 3 335.467 2.459 10 0 EEAEHO Cc1ccc(F)c(CNC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001445600134 1091393684 /nfs/dbraw/zinc/39/36/84/1091393684.db2.gz RDFWTDQBLGFFIK-JYJNAYRXSA-N 1 3 335.467 2.459 10 0 EEAEHO CN(CC[N@H+](C)CCCc1cccc(F)c1)C(=O)CN1CCCC1 ZINC001438937966 1091620418 /nfs/dbraw/zinc/62/04/18/1091620418.db2.gz LKRIRLONWIYGRH-UHFFFAOYSA-N 1 3 335.467 2.244 10 0 EEAEHO CN(CC[N@@H+](C)CCCc1cccc(F)c1)C(=O)CN1CCCC1 ZINC001438937966 1091620420 /nfs/dbraw/zinc/62/04/20/1091620420.db2.gz LKRIRLONWIYGRH-UHFFFAOYSA-N 1 3 335.467 2.244 10 0 EEAEHO C[C@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)CN(C)CC(C)(C)C ZINC001439154012 1091795965 /nfs/dbraw/zinc/79/59/65/1091795965.db2.gz MWTVNRZCTBQGBI-ZIAGYGMSSA-N 1 3 333.467 2.494 10 0 EEAEHO Cc1ccc(F)c(C[NH2+]C[C@H](NC(=O)CN2CC[C@@H](C)C2)C2CC2)c1 ZINC001445982840 1091947227 /nfs/dbraw/zinc/94/72/27/1091947227.db2.gz QKNDPURVLFVAIF-BEFAXECRSA-N 1 3 347.478 2.460 10 0 EEAEHO Cc1ncccc1C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001439426273 1092192401 /nfs/dbraw/zinc/19/24/01/1092192401.db2.gz WGKCNINFAHDCCS-RBUKOAKNSA-N 1 3 346.519 2.495 10 0 EEAEHO CC[C@@H](F)C[NH+]1CCC(C)(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001439919538 1092996478 /nfs/dbraw/zinc/99/64/78/1092996478.db2.gz DECWFNYKYRAXQH-JKSUJKDBSA-N 1 3 327.488 2.295 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1C[N@H+](CC2CC2)CCC1(F)F ZINC001439975111 1093091396 /nfs/dbraw/zinc/09/13/96/1093091396.db2.gz QOJAIYLPUWCDOO-GJZGRUSLSA-N 1 3 349.441 2.150 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1C[N@@H+](CC2CC2)CCC1(F)F ZINC001439975111 1093091402 /nfs/dbraw/zinc/09/14/02/1093091402.db2.gz QOJAIYLPUWCDOO-GJZGRUSLSA-N 1 3 349.441 2.150 10 0 EEAEHO CC(C)N(C)CC(=O)NCc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC2)cc1 ZINC001440224878 1093304958 /nfs/dbraw/zinc/30/49/58/1093304958.db2.gz RGFAFTWSBPVTRB-WMZOPIPTSA-N 1 3 347.503 2.330 10 0 EEAEHO Cc1cccnc1CN[C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001448698058 1093761134 /nfs/dbraw/zinc/76/11/34/1093761134.db2.gz MCVOFNQEYWCJME-PKOBYXMFSA-N 1 3 346.519 2.447 10 0 EEAEHO Cc1cccnc1CN[C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001448698058 1093761150 /nfs/dbraw/zinc/76/11/50/1093761150.db2.gz MCVOFNQEYWCJME-PKOBYXMFSA-N 1 3 346.519 2.447 10 0 EEAEHO Cc1ccc(CN(C)[C@@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1F ZINC001440923016 1094176798 /nfs/dbraw/zinc/17/67/98/1094176798.db2.gz HWFLGLHRYUVVGS-MAUKXSAKSA-N 1 3 347.478 2.412 10 0 EEAEHO C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(CCc2cccs2)C1 ZINC001441213275 1094577451 /nfs/dbraw/zinc/57/74/51/1094577451.db2.gz STDMDVCLKGHJCO-CABCVRRESA-N 1 3 335.517 2.069 10 0 EEAEHO C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(CCc2cccs2)C1 ZINC001441213275 1094577457 /nfs/dbraw/zinc/57/74/57/1094577457.db2.gz STDMDVCLKGHJCO-CABCVRRESA-N 1 3 335.517 2.069 10 0 EEAEHO CC[C@H](C)CNCc1nc2c(s1)CCN(C(=O)CC[NH+](C)C)C2 ZINC001479741891 1098863849 /nfs/dbraw/zinc/86/38/49/1098863849.db2.gz MJVUZYKZECQVDS-ZDUSSCGKSA-N 1 3 338.521 2.115 10 0 EEAEHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1cn(C(C)C)nc1C ZINC001479838547 1099123389 /nfs/dbraw/zinc/12/33/89/1099123389.db2.gz CIZUXULIXYTOOH-SFHVURJKSA-N 1 3 349.523 2.195 10 0 EEAEHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1cn(C(C)C)nc1C ZINC001479838547 1099123392 /nfs/dbraw/zinc/12/33/92/1099123392.db2.gz CIZUXULIXYTOOH-SFHVURJKSA-N 1 3 349.523 2.195 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCc2ccccc2F)C2CC2)CC[N@@H+]1C ZINC001480022165 1099502104 /nfs/dbraw/zinc/50/21/04/1099502104.db2.gz VLTFSOXKMRTWON-MZMPZRCHSA-N 1 3 333.451 2.150 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCc2ccccc2F)C2CC2)CC[N@H+]1C ZINC001480022165 1099502110 /nfs/dbraw/zinc/50/21/10/1099502110.db2.gz VLTFSOXKMRTWON-MZMPZRCHSA-N 1 3 333.451 2.150 10 0 EEAEHO CCN(CC[NH2+][C@@H]1CCc2ccc(F)cc21)C(=O)CN1CCCC1 ZINC001445330356 1100565964 /nfs/dbraw/zinc/56/59/64/1100565964.db2.gz MCRQYABZTCKPRS-GOSISDBHSA-N 1 3 333.451 2.347 10 0 EEAEHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1cccc2nsnc21 ZINC001495132929 1100798583 /nfs/dbraw/zinc/79/85/83/1100798583.db2.gz AVVYUMMMIRYQOC-CQSZACIVSA-N 1 3 349.504 2.016 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)N[C@H](CNCc2cccnc2)C2CCCC2)C1 ZINC001446504376 1100953685 /nfs/dbraw/zinc/95/36/85/1100953685.db2.gz XJIUDSYRKUDHLK-VQIMIIECSA-N 1 3 344.503 2.188 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)N[C@H](CNCc2cccnc2)C2CCCC2)C1 ZINC001446504376 1100953691 /nfs/dbraw/zinc/95/36/91/1100953691.db2.gz XJIUDSYRKUDHLK-VQIMIIECSA-N 1 3 344.503 2.188 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2cnccc2C)C1)N(C)C ZINC001495359769 1101074942 /nfs/dbraw/zinc/07/49/42/1101074942.db2.gz NGCANDVFYXPOKQ-IEBWSBKVSA-N 1 3 346.519 2.449 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CCC[C@H](CC[NH2+]Cc3cccnc3)C2)C1 ZINC001495385828 1101105736 /nfs/dbraw/zinc/10/57/36/1101105736.db2.gz IAGAEDTWAQHMMK-ZWKOTPCHSA-N 1 3 344.503 2.142 10 0 EEAEHO Cc1ccc(CN2CCC3(CN(C(=O)CC[NH+](C)C)C3)CC2)c(C)n1 ZINC001447118309 1102020881 /nfs/dbraw/zinc/02/08/81/1102020881.db2.gz VGQYSCRUQMJXDF-UHFFFAOYSA-N 1 3 344.503 2.075 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cncc(C)c1 ZINC001497329888 1102335938 /nfs/dbraw/zinc/33/59/38/1102335938.db2.gz FIKIWXSTCSUUPT-FUHWJXTLSA-N 1 3 332.492 2.249 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497404648 1102438450 /nfs/dbraw/zinc/43/84/50/1102438450.db2.gz ZEIUAYWHERNTPG-SFHVURJKSA-N 1 3 332.492 2.203 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001497404648 1102438458 /nfs/dbraw/zinc/43/84/58/1102438458.db2.gz ZEIUAYWHERNTPG-SFHVURJKSA-N 1 3 332.492 2.203 10 0 EEAEHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCc1cc(Cl)ccc1F ZINC001447534136 1102800253 /nfs/dbraw/zinc/80/02/53/1102800253.db2.gz BOZLSHZSBNVAFM-LRDDRELGSA-N 1 3 341.858 2.367 10 0 EEAEHO Cc1cc(CN2CC[C@@H](CCNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)on1 ZINC001494044461 1103416852 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333.411 2.066 10 0 EEAEHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)C/C=C/c1ccccc1 ZINC001448136448 1104081088 /nfs/dbraw/zinc/08/10/88/1104081088.db2.gz QOYZBDDPSGKYJY-RCMYXZNBSA-N 1 3 327.472 2.232 10 0 EEAEHO CC[C@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]CC1CC(F)(F)C1 ZINC001494986375 1104631027 /nfs/dbraw/zinc/63/10/27/1104631027.db2.gz SQYPYOQFFYTGJL-HUUCEWRRSA-N 1 3 331.451 2.389 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)NCc1ccccn1 ZINC001495068395 1104707922 /nfs/dbraw/zinc/70/79/22/1104707922.db2.gz CHJKLBOJZGWWBB-SJORKVTESA-N 1 3 332.492 2.331 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(F)c2F)C1 ZINC001480683934 1106876271 /nfs/dbraw/zinc/87/62/71/1106876271.db2.gz UXMIWIUJNXIWGD-CQSZACIVSA-N 1 3 339.430 2.243 10 0 EEAEHO Cc1nc(C)c(CNCCCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)o1 ZINC001498552993 1107710952 /nfs/dbraw/zinc/71/09/52/1107710952.db2.gz UKUYAYVWMSNVKS-MRXNPFEDSA-N 1 3 336.480 2.102 10 0 EEAEHO Cc1nc(C)c(CNCCCN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)o1 ZINC001498552993 1107710964 /nfs/dbraw/zinc/71/09/64/1107710964.db2.gz UKUYAYVWMSNVKS-MRXNPFEDSA-N 1 3 336.480 2.102 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCCNCc2cnoc2C)C1 ZINC001498602675 1107792626 /nfs/dbraw/zinc/79/26/26/1107792626.db2.gz UURPCDDHUHCFAL-MRXNPFEDSA-N 1 3 336.480 2.043 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCCNCc2cnoc2C)C1 ZINC001498602675 1107792642 /nfs/dbraw/zinc/79/26/42/1107792642.db2.gz UURPCDDHUHCFAL-MRXNPFEDSA-N 1 3 336.480 2.043 10 0 EEAEHO CN(CC[NH2+]CC[C@H]1CCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001493498862 1108237309 /nfs/dbraw/zinc/23/73/09/1108237309.db2.gz DUQYRGKWWSRODM-MJGOQNOKSA-N 1 3 329.488 2.249 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC001499955547 1112554680 /nfs/dbraw/zinc/55/46/80/1112554680.db2.gz UBDWTIDOXZBOTI-OAHLLOKOSA-N 1 3 338.883 2.156 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCOC(C)C ZINC001499955321 1112554749 /nfs/dbraw/zinc/55/47/49/1112554749.db2.gz PZAYDRPCZIHTEJ-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001501150095 1113215949 /nfs/dbraw/zinc/21/59/49/1113215949.db2.gz LKHILQCBKZWPCG-WBVHZDCISA-N 1 3 335.467 2.352 10 0 EEAEHO CC[C@@H](F)C[NH2+]CC[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001501631840 1113406713 /nfs/dbraw/zinc/40/67/13/1113406713.db2.gz GFZQRRJZHLTSLY-DLBZAZTESA-N 1 3 327.488 2.295 10 0 EEAEHO CCN(Cc1ccns1)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001505398719 1113936223 /nfs/dbraw/zinc/93/62/23/1113936223.db2.gz STIIJHUUZGVMNX-UHFFFAOYSA-N 1 3 338.521 2.155 10 0 EEAEHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001505503914 1114027180 /nfs/dbraw/zinc/02/71/80/1114027180.db2.gz ZTHRPVVVXUOSKS-PVARCSIZSA-N 1 3 335.467 2.396 10 0 EEAEHO CC(C)OCC[NH2+]C1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001505781256 1114188454 /nfs/dbraw/zinc/18/84/54/1114188454.db2.gz YBHZOUMXUPHNCW-UHFFFAOYSA-N 1 3 339.524 2.255 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC001505791209 1114194111 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10 0 EEAEHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1[C@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC001506793857 1114884124 /nfs/dbraw/zinc/88/41/24/1114884124.db2.gz OIRVGBOBZPWNLE-TUVASFSCSA-N 1 3 347.425 2.107 10 0 EEAEHO C[C@@H]1C[C@@H](NCc2sccc2Cl)CN1C(=O)CC[NH+](C)C ZINC001507320609 1115191186 /nfs/dbraw/zinc/19/11/86/1115191186.db2.gz NNTIKUKDQWTMAJ-VXGBXAGGSA-N 1 3 329.897 2.432 10 0 EEAEHO CC[C@@H](F)CN[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001507440036 1115269989 /nfs/dbraw/zinc/26/99/89/1115269989.db2.gz NGTADBSJKQDABE-HZPDHXFCSA-N 1 3 339.499 2.437 10 0 EEAEHO CC(C)N(CCN(C)C[C@H]1CCCCO1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507833596 1115355110 /nfs/dbraw/zinc/35/51/10/1115355110.db2.gz CHIATOXIYRUUMS-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(CCN(C)C[C@H]1CCCCO1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507833596 1115355113 /nfs/dbraw/zinc/35/51/13/1115355113.db2.gz CHIATOXIYRUUMS-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N[C@H](CNCc2ccccn2)C(C)(C)C)CC[N@@H+]1C ZINC001508003619 1115388194 /nfs/dbraw/zinc/38/81/94/1115388194.db2.gz NNWDURIBWHWDAU-XYJFISCASA-N 1 3 346.519 2.432 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N[C@H](CNCc2ccccn2)C(C)(C)C)CC[N@H+]1C ZINC001508003619 1115388196 /nfs/dbraw/zinc/38/81/96/1115388196.db2.gz NNWDURIBWHWDAU-XYJFISCASA-N 1 3 346.519 2.432 10 0 EEAEHO CC(C)OCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001568407794 1124476825 /nfs/dbraw/zinc/47/68/25/1124476825.db2.gz VADJEILLUDFONG-SJORKVTESA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)CN1CC[C@@H](C)C1 ZINC001568920464 1124948655 /nfs/dbraw/zinc/94/86/55/1124948655.db2.gz VYUVUSMFCGIEKU-NHZBNJEXSA-N 1 3 333.451 2.238 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC/C=C\C[NH2+]CC1CCC(F)(F)CC1 ZINC001568953545 1124988787 /nfs/dbraw/zinc/98/87/87/1124988787.db2.gz FFBNKHNDWQMQKF-IHWYPQMZSA-N 1 3 340.418 2.348 10 0 EEAEHO CCc1ccc(CC[NH2+]C[C@H](C)NC(=O)CN2CC[C@H](C)C2)cc1 ZINC001569081668 1125086560 /nfs/dbraw/zinc/08/65/60/1125086560.db2.gz WBOMTCPCWIJDQF-IRXDYDNUSA-N 1 3 331.504 2.228 10 0 EEAEHO c1ccc(CCN2CCC([NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)CC2)cc1 ZINC000422840271 240254865 /nfs/dbraw/zinc/25/48/65/240254865.db2.gz BFTIFLBPTJWXNX-SFTDATJTSA-N 1 3 343.515 2.050 10 0 EEAEHO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000079734012 217251969 /nfs/dbraw/zinc/25/19/69/217251969.db2.gz CSJKYVUUGIGNRA-FUHWJXTLSA-N 1 3 334.508 2.189 10 0 EEAEHO CN(C(=O)CCC1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261557444 160398668 /nfs/dbraw/zinc/39/86/68/160398668.db2.gz RQWQUOPYRZQNNI-IBGZPJMESA-N 1 3 329.488 2.499 10 0 EEAEHO CN1CCC(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000103298095 159275302 /nfs/dbraw/zinc/27/53/02/159275302.db2.gz HTJNRKFICABHGL-QGZVFWFLSA-N 1 3 336.524 2.378 10 0 EEAEHO CCN1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000246015080 160260662 /nfs/dbraw/zinc/26/06/62/160260662.db2.gz JGUMWDDRHGKOBN-RBUKOAKNSA-N 1 3 329.488 2.499 10 0 EEAEHO CCN1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000246015080 160260663 /nfs/dbraw/zinc/26/06/63/160260663.db2.gz JGUMWDDRHGKOBN-RBUKOAKNSA-N 1 3 329.488 2.499 10 0 EEAEHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000343441077 161136342 /nfs/dbraw/zinc/13/63/42/161136342.db2.gz IPMKVJVCVWKCKK-KDOFPFPSSA-N 1 3 335.467 2.437 10 0 EEAEHO CSC1(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)CCN(C)CC1 ZINC000359276300 164100867 /nfs/dbraw/zinc/10/08/67/164100867.db2.gz OUHHBUQEBCFQSZ-OAHLLOKOSA-N 1 3 327.538 2.195 10 0 EEAEHO CSC1(CNC(=O)CC[C@H]2CCCC[N@H+]2C)CCN(C)CC1 ZINC000359276300 164100868 /nfs/dbraw/zinc/10/08/68/164100868.db2.gz OUHHBUQEBCFQSZ-OAHLLOKOSA-N 1 3 327.538 2.195 10 0 EEAEHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000359361103 164119543 /nfs/dbraw/zinc/11/95/43/164119543.db2.gz ABFRFHXWIUEWIQ-GOSISDBHSA-N 1 3 342.487 2.318 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)CC[N@@H+]1C ZINC000368224707 166072387 /nfs/dbraw/zinc/07/23/87/166072387.db2.gz LPBSMMIESBMCGB-FFGOWVMKSA-N 1 3 341.499 2.450 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)CC[N@H+]1C ZINC000368224707 166072390 /nfs/dbraw/zinc/07/23/90/166072390.db2.gz LPBSMMIESBMCGB-FFGOWVMKSA-N 1 3 341.499 2.450 10 0 EEAEHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@]2(CNC(=O)C2)C1 ZINC000279364330 269274048 /nfs/dbraw/zinc/27/40/48/269274048.db2.gz HJJJTEJYARPFOZ-HXUWFJFHSA-N 1 3 329.488 2.357 10 0 EEAEHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@]2(CNC(=O)C2)C1 ZINC000279364330 269274050 /nfs/dbraw/zinc/27/40/50/269274050.db2.gz HJJJTEJYARPFOZ-HXUWFJFHSA-N 1 3 329.488 2.357 10 0 EEAEHO COCCN1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000278688673 274390013 /nfs/dbraw/zinc/39/00/13/274390013.db2.gz KIAVHXCRWGXZCH-NCYKPQTJSA-N 1 3 343.515 2.492 10 0 EEAEHO COCCN1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000278688673 274390014 /nfs/dbraw/zinc/39/00/14/274390014.db2.gz KIAVHXCRWGXZCH-NCYKPQTJSA-N 1 3 343.515 2.492 10 0 EEAEHO COCCN1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000278688673 274390015 /nfs/dbraw/zinc/39/00/15/274390015.db2.gz KIAVHXCRWGXZCH-NCYKPQTJSA-N 1 3 343.515 2.492 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297507632 294264540 /nfs/dbraw/zinc/26/45/40/294264540.db2.gz XLZBYOBVAFOWJU-MSRNWOCLSA-N 1 3 344.503 2.084 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297507632 294264543 /nfs/dbraw/zinc/26/45/43/294264543.db2.gz XLZBYOBVAFOWJU-MSRNWOCLSA-N 1 3 344.503 2.084 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@@H+]1C ZINC000246468138 297257441 /nfs/dbraw/zinc/25/74/41/297257441.db2.gz VGGKQYVBMFUREN-BPQIPLTHSA-N 1 3 332.492 2.413 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@H+]1C ZINC000246468138 297257443 /nfs/dbraw/zinc/25/74/43/297257443.db2.gz VGGKQYVBMFUREN-BPQIPLTHSA-N 1 3 332.492 2.413 10 0 EEAEHO CC[N@@H+]1CC[C@H](NCc2ccc(CN3CCOCC3)cc2)[C@@H](C)C1 ZINC000345227734 312270578 /nfs/dbraw/zinc/27/05/78/312270578.db2.gz GTYSTMLIKDRLNZ-PXNSSMCTSA-N 1 3 331.504 2.339 10 0 EEAEHO CC[N@H+]1CC[C@H](NCc2ccc(CN3CCOCC3)cc2)[C@@H](C)C1 ZINC000345227734 312270580 /nfs/dbraw/zinc/27/05/80/312270580.db2.gz GTYSTMLIKDRLNZ-PXNSSMCTSA-N 1 3 331.504 2.339 10 0 EEAEHO CCN1CC[C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)[C@@H](C)C1 ZINC000345227734 312270583 /nfs/dbraw/zinc/27/05/83/312270583.db2.gz GTYSTMLIKDRLNZ-PXNSSMCTSA-N 1 3 331.504 2.339 10 0 EEAEHO CC[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)N1CCc2ccccc2C1 ZINC000417014831 313395560 /nfs/dbraw/zinc/39/55/60/313395560.db2.gz LMIVITIZJLGISM-LZQZEXGQSA-N 1 3 344.503 2.121 10 0 EEAEHO C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000417219917 313453607 /nfs/dbraw/zinc/45/36/07/313453607.db2.gz XGGRFPUHEDJNFC-XYJFISCASA-N 1 3 332.492 2.495 10 0 EEAEHO C[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000418182327 313738478 /nfs/dbraw/zinc/73/84/78/313738478.db2.gz MKSYTBQQEXUPMB-XOYOTBSWSA-N 1 3 330.476 2.071 10 0 EEAEHO NCCC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000437783464 315052412 /nfs/dbraw/zinc/05/24/12/315052412.db2.gz IENMVPNSHVJGDV-UHFFFAOYSA-N 1 3 326.282 2.352 10 0 EEAEHO NC[C@@H]1c2ccccc2CCN1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000519601159 316796815 /nfs/dbraw/zinc/79/68/15/316796815.db2.gz NKYDVHJWCWIEPI-IIDMSEBBSA-N 1 3 330.476 2.019 10 0 EEAEHO C[C@@]1(CNC2CC[NH+](C[C@H]3CCCO3)CC2)COc2ccccc2O1 ZINC000527926509 317287279 /nfs/dbraw/zinc/28/72/79/317287279.db2.gz DKZALLYILCFMQG-YLJYHZDGSA-N 1 3 346.471 2.450 10 0 EEAEHO O[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCCO1 ZINC000527950593 317291740 /nfs/dbraw/zinc/29/17/40/317291740.db2.gz AKRJBUYRXUJZJP-IVDHNXQLSA-N 1 3 330.472 2.312 10 0 EEAEHO O[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCO1 ZINC000527950593 317291744 /nfs/dbraw/zinc/29/17/44/317291744.db2.gz AKRJBUYRXUJZJP-IVDHNXQLSA-N 1 3 330.472 2.312 10 0 EEAEHO C[C@@H]([NH2+]CCOCCN(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000382998320 323526927 /nfs/dbraw/zinc/52/69/27/323526927.db2.gz ZIDMGCOQABTCGK-HZPDHXFCSA-N 1 3 343.512 2.190 10 0 EEAEHO O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000355223680 465235490 /nfs/dbraw/zinc/23/54/90/465235490.db2.gz LIUXYSCTWQZKJF-ADKAHSJRSA-N 1 3 334.508 2.273 10 0 EEAEHO C[C@@H](CN(C)C)NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000355363338 465244442 /nfs/dbraw/zinc/24/44/42/465244442.db2.gz JRLCNRYSEXPIIZ-LPHOPBHVSA-N 1 3 332.492 2.290 10 0 EEAEHO C[C@@H](CN(C)C)NC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000355363338 465244447 /nfs/dbraw/zinc/24/44/47/465244447.db2.gz JRLCNRYSEXPIIZ-LPHOPBHVSA-N 1 3 332.492 2.290 10 0 EEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cnn(-c3ccccc3)c2)CC1 ZINC000105862438 463480523 /nfs/dbraw/zinc/48/05/23/463480523.db2.gz PJJHCCPWAIOLOP-QGZVFWFLSA-N 1 3 342.487 2.397 10 0 EEAEHO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(OCCN(C)C)cc1 ZINC000125459186 463546558 /nfs/dbraw/zinc/54/65/58/463546558.db2.gz ZRSUVLGSZRTSFX-VQIMIIECSA-N 1 3 336.476 2.067 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000073331863 463604850 /nfs/dbraw/zinc/60/48/50/463604850.db2.gz PBOBGFVEBXUIKU-HNNXBMFYSA-N 1 3 330.476 2.205 10 0 EEAEHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](N(C)C)C1 ZINC000170828789 463716366 /nfs/dbraw/zinc/71/63/66/463716366.db2.gz ZOEQSJYGIFQMHA-SFHVURJKSA-N 1 3 332.492 2.372 10 0 EEAEHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](N(C)C)C1 ZINC000170828789 463716367 /nfs/dbraw/zinc/71/63/67/463716367.db2.gz ZOEQSJYGIFQMHA-SFHVURJKSA-N 1 3 332.492 2.372 10 0 EEAEHO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000170834944 463719225 /nfs/dbraw/zinc/71/92/25/463719225.db2.gz VQPJVABOAVDAQD-RTBURBONSA-N 1 3 344.503 2.387 10 0 EEAEHO CC[NH+](CC)CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268516561 463777625 /nfs/dbraw/zinc/77/76/25/463777625.db2.gz LLXKZSCININCTD-GOSISDBHSA-N 1 3 332.492 2.244 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)N(C)CCC[NH+](C)C)N(C)C)cc1 ZINC000185239243 463783814 /nfs/dbraw/zinc/78/38/14/463783814.db2.gz GHNWDICEFXTHGC-GOSISDBHSA-N 1 3 334.508 2.445 10 0 EEAEHO CCCN1CCN(c2ccccc2CN2CC[C@](C)(C[NH3+])C2)CC1 ZINC000261709895 463835656 /nfs/dbraw/zinc/83/56/56/463835656.db2.gz IRLAFPTUSWOVAR-HXUWFJFHSA-N 1 3 330.520 2.389 10 0 EEAEHO C[NH+](C)CCOc1cccc(N[C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000261895570 463890746 /nfs/dbraw/zinc/89/07/46/463890746.db2.gz HANAHIQKAZMFJR-IPMKNSEASA-N 1 3 333.476 2.196 10 0 EEAEHO c1nn(-c2ccccc2)cc1CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261961651 463912314 /nfs/dbraw/zinc/91/23/14/463912314.db2.gz PRMGFPACXHQTHI-QRVBRYPASA-N 1 3 326.444 2.119 10 0 EEAEHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000171903900 463947148 /nfs/dbraw/zinc/94/71/48/463947148.db2.gz UNCMUBXDTAOUGL-BRWVUGGUSA-N 1 3 336.524 2.233 10 0 EEAEHO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000292253101 464174094 /nfs/dbraw/zinc/17/40/94/464174094.db2.gz XWHGWJSRHRUOCX-CRAIPNDOSA-N 1 3 338.879 2.416 10 0 EEAEHO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000292253101 464174100 /nfs/dbraw/zinc/17/41/00/464174100.db2.gz XWHGWJSRHRUOCX-CRAIPNDOSA-N 1 3 338.879 2.416 10 0 EEAEHO C[NH2+]C1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000237123910 464270274 /nfs/dbraw/zinc/27/02/74/464270274.db2.gz OJRXTYYTIOJGQE-MRXNPFEDSA-N 1 3 333.451 2.248 10 0 EEAEHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000174314575 464393039 /nfs/dbraw/zinc/39/30/39/464393039.db2.gz PLKAYHOOXQDIPB-XDNAFOTISA-N 1 3 334.508 2.009 10 0 EEAEHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000174314575 464393045 /nfs/dbraw/zinc/39/30/45/464393045.db2.gz PLKAYHOOXQDIPB-XDNAFOTISA-N 1 3 334.508 2.009 10 0 EEAEHO CC[NH+](CC)[C@H](C)CNC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000281534551 464493460 /nfs/dbraw/zinc/49/34/60/464493460.db2.gz JZYDPTGRNAFFNE-OAHLLOKOSA-N 1 3 338.496 2.392 10 0 EEAEHO CN1CCO[C@H](CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248389667 464746812 /nfs/dbraw/zinc/74/68/12/464746812.db2.gz BAMILEXVVSKGQW-DOIPELPJSA-N 1 3 343.515 2.207 10 0 EEAEHO CN1CCO[C@H](CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248389667 464746817 /nfs/dbraw/zinc/74/68/17/464746817.db2.gz BAMILEXVVSKGQW-DOIPELPJSA-N 1 3 343.515 2.207 10 0 EEAEHO CN1CCO[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000248389667 464746824 /nfs/dbraw/zinc/74/68/24/464746824.db2.gz BAMILEXVVSKGQW-DOIPELPJSA-N 1 3 343.515 2.207 10 0 EEAEHO CCS[C@@H]1CC[C@H](N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000362384026 465695411 /nfs/dbraw/zinc/69/54/11/465695411.db2.gz CQCUBJBXBQLLMV-DLBZAZTESA-N 1 3 339.549 2.335 10 0 EEAEHO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cn2)CCO1 ZINC000353464331 465902901 /nfs/dbraw/zinc/90/29/01/465902901.db2.gz UIJPULQTEQIMSI-NXWXRZEISA-N 1 3 344.503 2.269 10 0 EEAEHO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cn2)CCO1 ZINC000353464331 465902908 /nfs/dbraw/zinc/90/29/08/465902908.db2.gz UIJPULQTEQIMSI-NXWXRZEISA-N 1 3 344.503 2.269 10 0 EEAEHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@@H]43)cn2)CCO1 ZINC000353464331 465902911 /nfs/dbraw/zinc/90/29/11/465902911.db2.gz UIJPULQTEQIMSI-NXWXRZEISA-N 1 3 344.503 2.269 10 0 EEAEHO COC(=O)COc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367738049 466527601 /nfs/dbraw/zinc/52/76/01/466527601.db2.gz RBHDTJQJRAHMJQ-KZNAEPCWSA-N 1 3 332.444 2.201 10 0 EEAEHO COC(=O)COc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367738049 466527606 /nfs/dbraw/zinc/52/76/06/466527606.db2.gz RBHDTJQJRAHMJQ-KZNAEPCWSA-N 1 3 332.444 2.201 10 0 EEAEHO COC(=O)COc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c1 ZINC000367738049 466527612 /nfs/dbraw/zinc/52/76/12/466527612.db2.gz RBHDTJQJRAHMJQ-KZNAEPCWSA-N 1 3 332.444 2.201 10 0 EEAEHO COc1ccccc1N1CC[C@H](N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422880306 466687305 /nfs/dbraw/zinc/68/73/05/466687305.db2.gz WSLLAXZZUXFVGS-BSDSXHPESA-N 1 3 345.487 2.021 10 0 EEAEHO Fc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423196138 466694731 /nfs/dbraw/zinc/69/47/31/466694731.db2.gz ZAPUOMKQBJDEBR-DSLXNQLJSA-N 1 3 333.451 2.151 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CN1Cc1ccccc1 ZINC000417874765 466965355 /nfs/dbraw/zinc/96/53/55/466965355.db2.gz NLOXQBNZSANNCE-OQIJWPOYSA-N 1 3 342.487 2.043 10 0 EEAEHO C[N@@H+]1CCC[C@@H](CNC(=O)CN)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370775282 467001175 /nfs/dbraw/zinc/00/11/75/467001175.db2.gz VEIWLERUJJYUHS-SWLSCSKDSA-N 1 3 329.366 2.163 10 0 EEAEHO C[N@H+]1CCC[C@@H](CNC(=O)CN)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370775282 467001178 /nfs/dbraw/zinc/00/11/78/467001178.db2.gz VEIWLERUJJYUHS-SWLSCSKDSA-N 1 3 329.366 2.163 10 0 EEAEHO CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)c1 ZINC000377128025 467036019 /nfs/dbraw/zinc/03/60/19/467036019.db2.gz NXKQOZKHHAGTJD-QRVBRYPASA-N 1 3 331.460 2.486 10 0 EEAEHO CC(=O)Nc1cccc(OCCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000377128025 467036021 /nfs/dbraw/zinc/03/60/21/467036021.db2.gz NXKQOZKHHAGTJD-QRVBRYPASA-N 1 3 331.460 2.486 10 0 EEAEHO CC(=O)Nc1cccc(OCCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000377128025 467036025 /nfs/dbraw/zinc/03/60/25/467036025.db2.gz NXKQOZKHHAGTJD-QRVBRYPASA-N 1 3 331.460 2.486 10 0 EEAEHO CN(C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000418434914 467110265 /nfs/dbraw/zinc/11/02/65/467110265.db2.gz WEXOXLVTVYTHSU-CEXWTWQISA-N 1 3 344.503 2.420 10 0 EEAEHO CCN(C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418564550 467129228 /nfs/dbraw/zinc/12/92/28/467129228.db2.gz WYOOIAHDYATFNR-NZSAHSFTSA-N 1 3 344.503 2.290 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000418572808 467130491 /nfs/dbraw/zinc/13/04/91/467130491.db2.gz KRDXOFGPLOQZJW-ZHALLVOQSA-N 1 3 344.503 2.290 10 0 EEAEHO CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000433904517 467361869 /nfs/dbraw/zinc/36/18/69/467361869.db2.gz SNDFUMBERMEFGA-SFHVURJKSA-N 1 3 336.524 2.425 10 0 EEAEHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@H]2C)cc1 ZINC000414861823 467440635 /nfs/dbraw/zinc/44/06/35/467440635.db2.gz WUYHGNSHSYPLNB-KFWWJZLASA-N 1 3 346.475 2.024 10 0 EEAEHO Cc1nn(C)cc1[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397512160 467442461 /nfs/dbraw/zinc/44/24/61/467442461.db2.gz NTWCZIHTWXRDJP-MRXNPFEDSA-N 1 3 342.487 2.406 10 0 EEAEHO COCCN(C)CC[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449112864 467618920 /nfs/dbraw/zinc/61/89/20/467618920.db2.gz TZXNYJASUPBODN-SFHVURJKSA-N 1 3 333.520 2.250 10 0 EEAEHO COCCN(C)CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449112864 467618921 /nfs/dbraw/zinc/61/89/21/467618921.db2.gz TZXNYJASUPBODN-SFHVURJKSA-N 1 3 333.520 2.250 10 0 EEAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCC(=O)N(C)C2)CC1 ZINC000449155907 467621231 /nfs/dbraw/zinc/62/12/31/467621231.db2.gz CLABHWZTBILBEA-VQIMIIECSA-N 1 3 329.488 2.292 10 0 EEAEHO O[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)CN1CCCC1 ZINC000519399458 468159328 /nfs/dbraw/zinc/15/93/28/468159328.db2.gz QBEWBXLWZCCSJD-UXHICEINSA-N 1 3 343.515 2.230 10 0 EEAEHO COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000595014536 468742722 /nfs/dbraw/zinc/74/27/22/468742722.db2.gz BAQHPSDKUKVKGQ-CVEARBPZSA-N 1 3 339.524 2.112 10 0 EEAEHO CS[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596318648 469242542 /nfs/dbraw/zinc/24/25/42/469242542.db2.gz PLPULNXCRGSLRF-ARFHVFGLSA-N 1 3 344.569 2.232 10 0 EEAEHO CS[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596318648 469242545 /nfs/dbraw/zinc/24/25/45/469242545.db2.gz PLPULNXCRGSLRF-ARFHVFGLSA-N 1 3 344.569 2.232 10 0 EEAEHO CN(C(=O)N[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000612977863 469597605 /nfs/dbraw/zinc/59/76/05/469597605.db2.gz RCHWUJQEVMYBJY-ZWKOTPCHSA-N 1 3 342.487 2.044 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(-c2ccccc2)on1 ZINC000617504498 469701926 /nfs/dbraw/zinc/70/19/26/469701926.db2.gz YMLODLDCYAMTSB-HNNXBMFYSA-N 1 3 344.459 2.343 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(-c2ccccc2)on1 ZINC000617504498 469701931 /nfs/dbraw/zinc/70/19/31/469701931.db2.gz YMLODLDCYAMTSB-HNNXBMFYSA-N 1 3 344.459 2.343 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H]1OCCc2ccccc21 ZINC000617505544 469703287 /nfs/dbraw/zinc/70/32/87/469703287.db2.gz HDFPZRUALSNZFK-LPHOPBHVSA-N 1 3 347.503 2.079 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H]1OCCc2ccccc21 ZINC000617505544 469703290 /nfs/dbraw/zinc/70/32/90/469703290.db2.gz HDFPZRUALSNZFK-LPHOPBHVSA-N 1 3 347.503 2.079 10 0 EEAEHO C[C@H]1CC[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C[NH2+]1 ZINC000627193835 469839618 /nfs/dbraw/zinc/83/96/18/469839618.db2.gz QQDYGLCFPGDYAK-FUHWJXTLSA-N 1 3 330.476 2.044 10 0 EEAEHO C/C=C/CN[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000624197599 469872327 /nfs/dbraw/zinc/87/23/27/469872327.db2.gz RFJRKSQUXHYGHP-NFAHFFEMSA-N 1 3 339.505 2.143 10 0 EEAEHO C[C@@H](N[C@@H]1CCN(C2CCC2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000624342278 469910835 /nfs/dbraw/zinc/91/08/35/469910835.db2.gz BCFAGWRGHLQABQ-DNVCBOLYSA-N 1 3 345.487 2.431 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCCCN2CCc3ccccc3C2)CC[N@@H+]1C ZINC000630714571 469964965 /nfs/dbraw/zinc/96/49/65/469964965.db2.gz OUROGCORTFSJGR-RBUKOAKNSA-N 1 3 329.488 2.281 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCCCN2CCc3ccccc3C2)CC[N@H+]1C ZINC000630714571 469964969 /nfs/dbraw/zinc/96/49/69/469964969.db2.gz OUROGCORTFSJGR-RBUKOAKNSA-N 1 3 329.488 2.281 10 0 EEAEHO Cc1ncc(C[NH2+]CCCN2CCN(C)C[C@@H]2c2ccccc2)o1 ZINC000628202346 470074852 /nfs/dbraw/zinc/07/48/52/470074852.db2.gz PUMMCAVKOKCBKG-LJQANCHMSA-N 1 3 328.460 2.451 10 0 EEAEHO CC(=O)N1CC[C@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c2ccccc21 ZINC000621764626 470105033 /nfs/dbraw/zinc/10/50/33/470105033.db2.gz JJNODMXLDFNART-LPHOPBHVSA-N 1 3 346.519 2.346 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)CC[N@@H+]1C ZINC000632947452 470295340 /nfs/dbraw/zinc/29/53/40/470295340.db2.gz XPVKSSPSZGKVFS-RCCFBDPRSA-N 1 3 333.476 2.144 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)CC[N@H+]1C ZINC000632947452 470295343 /nfs/dbraw/zinc/29/53/43/470295343.db2.gz XPVKSSPSZGKVFS-RCCFBDPRSA-N 1 3 333.476 2.144 10 0 EEAEHO CC(C)Oc1ccnc(CN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000649570109 470630784 /nfs/dbraw/zinc/63/07/84/470630784.db2.gz OVOYQLGKECKZEC-UHFFFAOYSA-N 1 3 334.508 2.327 10 0 EEAEHO CC(C)C[N@H+](C)CCCNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000651192082 471084007 /nfs/dbraw/zinc/08/40/07/471084007.db2.gz AGVBWFGPFJIYMA-UHFFFAOYSA-N 1 3 326.529 2.480 10 0 EEAEHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000651192082 471084016 /nfs/dbraw/zinc/08/40/16/471084016.db2.gz AGVBWFGPFJIYMA-UHFFFAOYSA-N 1 3 326.529 2.480 10 0 EEAEHO O=C1CC[C@@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)N1 ZINC000658258332 471281659 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EEAEHO Cc1ncoc1CN[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001483913147 1191114246 /nfs/dbraw/zinc/11/42/46/1191114246.db2.gz FQDRIISPCHWMAO-WBVHZDCISA-N 1 3 348.491 2.328 10 0 EEAEHO COc1ccc(CN2CCC[C@](C)(CNC(=O)CC[NH+](C)C)C2)cc1 ZINC001484167617 1191254746 /nfs/dbraw/zinc/25/47/46/1191254746.db2.gz SMUXCEBXEPEDRC-HXUWFJFHSA-N 1 3 347.503 2.365 10 0 EEAEHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]C/C=C\c1ccccc1 ZINC001484379138 1191321530 /nfs/dbraw/zinc/32/15/30/1191321530.db2.gz ZHPPPGWGAWNHHZ-YZJPHSQXSA-N 1 3 338.455 2.350 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001484512165 1191390341 /nfs/dbraw/zinc/39/03/41/1191390341.db2.gz DDLVOBURBROBEW-SJLPKXTDSA-N 1 3 333.451 2.248 10 0 EEAEHO CC1CCN(CC(=O)N2CC[C@@H](CC[NH2+]Cc3cccnc3)C2)CC1 ZINC001484544703 1191407392 /nfs/dbraw/zinc/40/73/92/1191407392.db2.gz ZQXFNVDGJQQKLO-GOSISDBHSA-N 1 3 344.503 2.142 10 0 EEAEHO CC[C@H](C(=O)NC1(C[NH2+]Cc2ccccc2C)CCOCC1)N(C)C ZINC001484864262 1191555162 /nfs/dbraw/zinc/55/51/62/1191555162.db2.gz CQYQIOSXPWDNFL-GOSISDBHSA-N 1 3 347.503 2.090 10 0 EEAEHO C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCc1ccccc1F ZINC001484905054 1191569799 /nfs/dbraw/zinc/56/97/99/1191569799.db2.gz MYMKKHUGSIFPHP-MAUKXSAKSA-N 1 3 335.467 2.494 10 0 EEAEHO COc1ccc(C[NH2+]CC2CC(NC(=O)CN(C)C(C)C)C2)cc1 ZINC001485110276 1191657551 /nfs/dbraw/zinc/65/75/51/1191657551.db2.gz CBULUJILDHPRJB-UHFFFAOYSA-N 1 3 333.476 2.020 10 0 EEAEHO COC(=O)c1ccc(OC)c2c1CCN(CCC1CC[NH2+]CC1)C2 ZINC000872153910 1198060589 /nfs/dbraw/zinc/06/05/89/1198060589.db2.gz JVTNTPXQQCHSCD-UHFFFAOYSA-N 1 3 332.444 2.230 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1N(Cc1cncc(C)c1)CC2 ZINC001410890295 1198545164 /nfs/dbraw/zinc/54/51/64/1198545164.db2.gz BLEABPMPLPRNDO-QUCCMNQESA-N 1 3 344.503 2.345 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1N(Cc1cncc(C)c1)CC2 ZINC001410890295 1198545170 /nfs/dbraw/zinc/54/51/70/1198545170.db2.gz BLEABPMPLPRNDO-QUCCMNQESA-N 1 3 344.503 2.345 10 0 EEAEHO O=C(CCC12CC(C1)C[NH2+]2)N[C@H](CN1CCCC1)c1ccccc1 ZINC000870863263 1200918584 /nfs/dbraw/zinc/91/85/84/1200918584.db2.gz WNPOIYZQGSNZJM-KGXSXCIVSA-N 1 3 327.472 2.472 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc(Cl)n1 ZINC000868036266 1201731786 /nfs/dbraw/zinc/73/17/86/1201731786.db2.gz WHEMCOITLVNQET-CFVMTHIKSA-N 1 3 336.867 2.034 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)NC2CC(C[NH2+]CCC3CC3)C2)C1 ZINC001275284161 1205298680 /nfs/dbraw/zinc/29/86/80/1205298680.db2.gz FIEYIRCVCGPWGO-RJYAGPCLSA-N 1 3 339.499 2.483 10 0 EEAEHO C[C@H](NCc1cccc(Cl)n1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001275480085 1205378729 /nfs/dbraw/zinc/37/87/29/1205378729.db2.gz FRGOGWTYNJQYGO-STQMWFEESA-N 1 3 338.883 2.060 10 0 EEAEHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000925254762 1206087662 /nfs/dbraw/zinc/08/76/62/1206087662.db2.gz ATHNMDFNPNLFMJ-GSTYJUAJSA-N 1 3 341.499 2.150 10 0 EEAEHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000925254762 1206087665 /nfs/dbraw/zinc/08/76/65/1206087665.db2.gz ATHNMDFNPNLFMJ-GSTYJUAJSA-N 1 3 341.499 2.150 10 0 EEAEHO Cc1cccc(C(=O)NCCN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925496477 1206119577 /nfs/dbraw/zinc/11/95/77/1206119577.db2.gz VBJFYRAIWVIWMO-OALUTQOASA-N 1 3 329.488 2.483 10 0 EEAEHO Cc1cc(N2CCC([NH2+][C@H]3[C@@H]4CCCN[C@@H]4C3(C)C)CC2)nc(C)n1 ZINC000925543426 1206125625 /nfs/dbraw/zinc/12/56/25/1206125625.db2.gz SSIPYICKLFNMQV-NEWSRXKRSA-N 1 3 343.519 2.428 10 0 EEAEHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(N2CCNC2=O)cc1 ZINC000925775182 1206153156 /nfs/dbraw/zinc/15/31/56/1206153156.db2.gz DQAPAYRISRNSGR-OCCSQVGLSA-N 1 3 338.402 2.112 10 0 EEAEHO O=C1O[C@@H](CN[C@H]2CCCOc3ccccc32)CC12CC[NH2+]CC2 ZINC000925856822 1206161805 /nfs/dbraw/zinc/16/18/05/1206161805.db2.gz XKGJNCJENLMVIA-ZBFHGGJFSA-N 1 3 330.428 2.175 10 0 EEAEHO COC1(OC)CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1O ZINC000931638467 1207430576 /nfs/dbraw/zinc/43/05/76/1207430576.db2.gz PULLLYDHRXNAJD-LJQANCHMSA-N 1 3 348.487 2.228 10 0 EEAEHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C/C=C/c1ccc(F)cc1F)C2 ZINC000903976816 1242826495 /nfs/dbraw/zinc/82/64/95/1242826495.db2.gz BUYMFHBBHBXJNT-HPCQXFPESA-N 1 3 336.382 2.190 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+]CCc2cccs2)C1 ZINC001491173487 1258743864 /nfs/dbraw/zinc/74/38/64/1258743864.db2.gz JVNAPIVORXXERC-AWEZNQCLSA-N 1 3 332.473 2.085 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1cnccc1C ZINC001490281045 1291109978 /nfs/dbraw/zinc/10/99/78/1291109978.db2.gz DXMBGDMERXKTAN-GOSISDBHSA-N 1 3 332.492 2.203 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1cnccc1C ZINC001490281045 1291109985 /nfs/dbraw/zinc/10/99/85/1291109985.db2.gz DXMBGDMERXKTAN-GOSISDBHSA-N 1 3 332.492 2.203 10 0 EEAEHO CC[C@@H](C(=O)N1CCC([N@H+](C)CCOCC2CCC2)CC1)N(C)C ZINC001277440896 1303026928 /nfs/dbraw/zinc/02/69/28/1303026928.db2.gz HIDYCTVMONKQNG-SFHVURJKSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@@H](C(=O)N1CCC([N@@H+](C)CCOCC2CCC2)CC1)N(C)C ZINC001277440896 1303026936 /nfs/dbraw/zinc/02/69/36/1303026936.db2.gz HIDYCTVMONKQNG-SFHVURJKSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)CCOCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001277786186 1304484830 /nfs/dbraw/zinc/48/48/30/1304484830.db2.gz UNGZSCDIEJTLMP-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CCCOc1ccccc1 ZINC001277947865 1305246455 /nfs/dbraw/zinc/24/64/55/1305246455.db2.gz QKUCNKMHQWHYHP-QGZVFWFLSA-N 1 3 342.443 2.002 10 0 EEAEHO COCCCN(C(=O)[C@@H]1CCC[N@@H+](C(C)C)C1)C1CCN(C)CC1 ZINC001141799315 1315317281 /nfs/dbraw/zinc/31/72/81/1315317281.db2.gz IDVKSIIDAWSYRZ-QGZVFWFLSA-N 1 3 339.524 2.066 10 0 EEAEHO COCCCN(C(=O)[C@@H]1CCC[N@H+](C(C)C)C1)C1CCN(C)CC1 ZINC001141799315 1315317286 /nfs/dbraw/zinc/31/72/86/1315317286.db2.gz IDVKSIIDAWSYRZ-QGZVFWFLSA-N 1 3 339.524 2.066 10 0 EEAEHO CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@H]1OCC ZINC001263970462 1322573919 /nfs/dbraw/zinc/57/39/19/1322573919.db2.gz WDIZLYCJWXJJQL-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO COCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001265095364 1322917946 /nfs/dbraw/zinc/91/79/46/1322917946.db2.gz UVHQWKQXPVPMOZ-LPHOPBHVSA-N 1 3 347.503 2.367 10 0 EEAEHO O=C(CCCC[NH+]1CCCC1)N1CC[C@H](NCc2cncs2)C1 ZINC001265461427 1323168132 /nfs/dbraw/zinc/16/81/32/1323168132.db2.gz QKUOCOPNYANPTP-HNNXBMFYSA-N 1 3 336.505 2.100 10 0 EEAEHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCCc3ccsc3)C2)C1 ZINC001265494128 1323182180 /nfs/dbraw/zinc/18/21/80/1323182180.db2.gz JXLNXJIKIPYBQX-XIRDDKMYSA-N 1 3 335.517 2.259 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cncc(C)c2)C1)N(C)C ZINC001280198738 1324110649 /nfs/dbraw/zinc/11/06/49/1324110649.db2.gz WLKBJFLXSWYCCP-WMZOPIPTSA-N 1 3 332.492 2.058 10 0 EEAEHO CCOCC[NH2+]CC1(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001282636654 1325755786 /nfs/dbraw/zinc/75/57/86/1325755786.db2.gz RIIGNZBVEHWIMW-IRXDYDNUSA-N 1 3 339.524 2.304 10 0 EEAEHO Cc1cncc(CN[C@@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001491603087 1330200571 /nfs/dbraw/zinc/20/05/71/1330200571.db2.gz QLYQUDNTHVKMGR-IRXDYDNUSA-N 1 3 332.492 2.249 10 0 EEAEHO CCOCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001491896140 1330294050 /nfs/dbraw/zinc/29/40/50/1330294050.db2.gz KJIRBPGVWHJFAB-RTBURBONSA-N 1 3 347.503 2.415 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)C[C@H]2CC(C)(C)CO2)C1 ZINC001491959308 1330352568 /nfs/dbraw/zinc/35/25/68/1330352568.db2.gz KZNINKRNYYGJQJ-DLBZAZTESA-N 1 3 339.524 2.066 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)C[C@H]2CC(C)(C)CO2)C1 ZINC001491959308 1330352569 /nfs/dbraw/zinc/35/25/69/1330352569.db2.gz KZNINKRNYYGJQJ-DLBZAZTESA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1ncc(CN[C@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001492092317 1330999337 /nfs/dbraw/zinc/99/93/37/1330999337.db2.gz NJLPZYAYQSMHRQ-PBHICJAKSA-N 1 3 336.480 2.230 10 0 EEAEHO Cc1ncc(CN[C@H](C)CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)o1 ZINC001492092317 1330999341 /nfs/dbraw/zinc/99/93/41/1330999341.db2.gz NJLPZYAYQSMHRQ-PBHICJAKSA-N 1 3 336.480 2.230 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)[C@H]1C ZINC001316800657 1331899148 /nfs/dbraw/zinc/89/91/48/1331899148.db2.gz YMOUOCNRPGQGCP-SQNIBIBYSA-N 1 3 339.524 2.112 10 0 EEAEHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)[C@H]1C ZINC001316800657 1331899154 /nfs/dbraw/zinc/89/91/54/1331899154.db2.gz YMOUOCNRPGQGCP-SQNIBIBYSA-N 1 3 339.524 2.112 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCc2ccc(C)cc2)C1)N(C)C ZINC001317340596 1332186183 /nfs/dbraw/zinc/18/61/83/1332186183.db2.gz YYNANQZYUMCTAP-OALUTQOASA-N 1 3 331.504 2.316 10 0 EEAEHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC001317344844 1332188055 /nfs/dbraw/zinc/18/80/55/1332188055.db2.gz VBRXOIFRABTADK-QGZVFWFLSA-N 1 3 349.906 2.416 10 0 EEAEHO COCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001317363591 1332196422 /nfs/dbraw/zinc/19/64/22/1332196422.db2.gz NFZHZQRFXPEMMT-RTBURBONSA-N 1 3 347.503 2.415 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001317625574 1332334594 /nfs/dbraw/zinc/33/45/94/1332334594.db2.gz DUPOYOJPXAZKMD-MRXNPFEDSA-N 1 3 325.884 2.474 10 0 EEAEHO CCCN(C)CC(=O)N(C)CC[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001317659614 1332354398 /nfs/dbraw/zinc/35/43/98/1332354398.db2.gz XCWIGMRDXDDYBB-KRWDZBQOSA-N 1 3 331.504 2.181 10 0 EEAEHO COc1ccc(C(C)C)cc1CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317660245 1332355026 /nfs/dbraw/zinc/35/50/26/1332355026.db2.gz BCYDKLBSJLMDLV-QGZVFWFLSA-N 1 3 347.503 2.318 10 0 EEAEHO COc1ccc(C(C)C)cc1CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317660245 1332355029 /nfs/dbraw/zinc/35/50/29/1332355029.db2.gz BCYDKLBSJLMDLV-QGZVFWFLSA-N 1 3 347.503 2.318 10 0 EEAEHO Cc1cccnc1C[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001318932009 1332626116 /nfs/dbraw/zinc/62/61/16/1332626116.db2.gz WFPQBNMBTXZLLY-UHFFFAOYSA-N 1 3 344.503 2.204 10 0 EEAEHO C[C@H](C[NH2+]CCc1c(F)cccc1F)N(C)C(=O)CN1CCCC1 ZINC001319572869 1332722860 /nfs/dbraw/zinc/72/28/60/1332722860.db2.gz FHOVECVCSISUTA-CQSZACIVSA-N 1 3 339.430 2.040 10 0 EEAEHO C[NH+]1CCC(CC(=O)NC/C=C/CNCc2ccc(F)cc2)CC1 ZINC001321280470 1333062867 /nfs/dbraw/zinc/06/28/67/1333062867.db2.gz MRWOVPAVDVTYCP-NSCUHMNNSA-N 1 3 333.451 2.320 10 0 EEAEHO C[C@H](C[NH2+]CCc1cccs1)NC(=O)CN(C)CC(C)(C)C ZINC001321652164 1333137858 /nfs/dbraw/zinc/13/78/58/1333137858.db2.gz CXHPJMGYTXTKLV-CQSZACIVSA-N 1 3 325.522 2.363 10 0 EEAEHO Cc1cnc([C@@H](C)[NH2+]CCCN(C)C(=O)CN2CCC(C)CC2)cn1 ZINC001322756929 1333320996 /nfs/dbraw/zinc/32/09/96/1333320996.db2.gz PTWLXTNHVLHYQN-QGZVFWFLSA-N 1 3 347.507 2.016 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCOc1ccc(C)cc1)N(C)C ZINC001324225384 1333638257 /nfs/dbraw/zinc/63/82/57/1333638257.db2.gz JZAQOOJAPQNWLO-MJGOQNOKSA-N 1 3 347.503 2.295 10 0 EEAEHO COCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001329922417 1334740294 /nfs/dbraw/zinc/74/02/94/1334740294.db2.gz XGKNVYDTNGLJEX-QZTJIDSGSA-N 1 3 339.524 2.257 10 0 EEAEHO COCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001329922417 1334740297 /nfs/dbraw/zinc/74/02/97/1334740297.db2.gz XGKNVYDTNGLJEX-QZTJIDSGSA-N 1 3 339.524 2.257 10 0 EEAEHO CN(C)C1(C(=O)N(C)[C@H](C[NH2+]CCC(F)(F)F)C2CC2)CCC1 ZINC001331290982 1334991738 /nfs/dbraw/zinc/99/17/38/1334991738.db2.gz TUEPVEWRXWKVIY-CYBMUJFWSA-N 1 3 335.414 2.250 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCC1=CC[N@H+](CCCCOC)CC1 ZINC001333457755 1336051206 /nfs/dbraw/zinc/05/12/06/1336051206.db2.gz MMLMBMXLPXDJQR-GOSISDBHSA-N 1 3 337.508 2.036 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCC1=CC[N@@H+](CCCCOC)CC1 ZINC001333457755 1336051208 /nfs/dbraw/zinc/05/12/08/1336051208.db2.gz MMLMBMXLPXDJQR-GOSISDBHSA-N 1 3 337.508 2.036 10 0 EEAEHO C[NH+](C)CC[C@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC001434355251 1341830895 /nfs/dbraw/zinc/83/08/95/1341830895.db2.gz LBGHMYZUQKZLJC-PKOBYXMFSA-N 1 3 344.503 2.094 10 0 EEAEHO Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001566773800 1342628343 /nfs/dbraw/zinc/62/83/43/1342628343.db2.gz RFKJKOVLJCGFET-QUCCMNQESA-N 1 3 343.515 2.460 10 0 EEAEHO C[C@@H](CCCNCc1cc(C2CC2)no1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001571257936 1343170832 /nfs/dbraw/zinc/17/08/32/1343170832.db2.gz UTEZTWWZBFBTLD-JJRVBVJISA-N 1 3 348.491 2.267 10 0 EEAEHO C[C@@H](CCCNCc1cc(C2CC2)no1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001571257936 1343170837 /nfs/dbraw/zinc/17/08/37/1343170837.db2.gz UTEZTWWZBFBTLD-JJRVBVJISA-N 1 3 348.491 2.267 10 0 EEAEHO C[C@H](O)CCC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C(C)(C)C ZINC001677272430 1357305311 /nfs/dbraw/zinc/30/53/11/1357305311.db2.gz RBTGYXUZIICVAV-HOTGVXAUSA-N 1 3 341.540 2.142 10 0 EEAEHO CCOCCN1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001677606857 1357370779 /nfs/dbraw/zinc/37/07/79/1357370779.db2.gz BFKKHSZRDGLCSV-QGZVFWFLSA-N 1 3 337.508 2.036 10 0 EEAEHO CN(C[C@H]1CCN1CC1CC(F)(F)C1)C(=O)CCCC[NH+](C)C ZINC001656106330 1354202627 /nfs/dbraw/zinc/20/26/27/1354202627.db2.gz XRLLLSCVAIHPFQ-OAHLLOKOSA-N 1 3 331.451 2.296 10 0 EEAEHO CN(CC(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2F)C1)C1CCC1 ZINC001662640755 1354818500 /nfs/dbraw/zinc/81/85/00/1354818500.db2.gz LYXANFVRLXCNNT-INIZCTEOSA-N 1 3 347.478 2.291 10 0 EEAEHO CC(C)OCCCN1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001665008972 1355264227 /nfs/dbraw/zinc/26/42/27/1355264227.db2.gz ORRUSASPKKFSQI-QGZVFWFLSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1oncc1CNCC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001667301634 1355703202 /nfs/dbraw/zinc/70/32/02/1355703202.db2.gz HKBBMCJPKJAVBZ-FUHWJXTLSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1oncc1CNCC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001667301634 1355703206 /nfs/dbraw/zinc/70/32/06/1355703206.db2.gz HKBBMCJPKJAVBZ-FUHWJXTLSA-N 1 3 348.491 2.186 10 0 EEAEHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1C[NH2+]CCc1cccs1 ZINC001667395280 1355731492 /nfs/dbraw/zinc/73/14/92/1355731492.db2.gz ZBTAUGLYVHEQSE-RHSMWYFYSA-N 1 3 346.500 2.473 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H](C[NH2+]CCF)C2CCCC2)C1 ZINC001671554818 1356361481 /nfs/dbraw/zinc/36/14/81/1356361481.db2.gz UDRXQMLVKNPZID-CRAIPNDOSA-N 1 3 345.478 2.433 10 0 EEAEHO CN(C(=O)Cc1c[nH]cn1)C1CCC([NH2+]CCOCC2CCC2)CC1 ZINC001674804841 1356899187 /nfs/dbraw/zinc/89/91/87/1356899187.db2.gz XJJQYJCFZOADIF-UHFFFAOYSA-N 1 3 348.491 2.128 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCNCc2ccns2)CC[N@@H+]1C ZINC001675902980 1357066311 /nfs/dbraw/zinc/06/63/11/1357066311.db2.gz JANUICNALLLQAG-CWRNSKLLSA-N 1 3 338.521 2.248 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCNCc2ccns2)CC[N@H+]1C ZINC001675902980 1357066317 /nfs/dbraw/zinc/06/63/17/1357066317.db2.gz JANUICNALLLQAG-CWRNSKLLSA-N 1 3 338.521 2.248 10 0 EEAEHO CCOCCC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001692329842 1405003079 /nfs/dbraw/zinc/00/30/79/1405003079.db2.gz OEEXJYIRHSNRPN-ZWKOTPCHSA-N 1 3 339.524 2.116 10 0 EEAEHO C[C@@H](C[NH2+]CC[C@@H]1CCCO1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001698861297 1405117252 /nfs/dbraw/zinc/11/72/52/1405117252.db2.gz OQODLFCITZKFLX-LPHOPBHVSA-N 1 3 347.503 2.367 10 0 EEAEHO OC[C@H]1CN(Cc2ccc(Br)cc2)CC12CC[NH2+]CC2 ZINC000169782182 790574192 /nfs/dbraw/zinc/57/41/92/790574192.db2.gz NNVGFZYXDQVMQA-CQSZACIVSA-N 1 3 339.277 2.243 10 0 EEAEHO C[C@@H]1CN(C[C@H](O)c2cccc(Br)c2)C[C@H]1CC[NH3+] ZINC000923430613 789540674 /nfs/dbraw/zinc/54/06/74/789540674.db2.gz IGQAJBVNBSTZSB-KYOSRNDESA-N 1 3 327.266 2.399 10 0 EEAEHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1cccnc1C(F)(F)F)CC2 ZINC000923447206 789559451 /nfs/dbraw/zinc/55/94/51/789559451.db2.gz QJFTUBXAVIOMES-ZDUSSCGKSA-N 1 3 329.366 2.430 10 0 EEAEHO CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)CN(CC)CC ZINC001436853804 1088498201 /nfs/dbraw/zinc/49/82/01/1088498201.db2.gz KFJFJHUFUJUOES-NCOADZHNSA-N 1 3 327.488 2.388 10 0 EEAEHO CC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)CN(CC)CC ZINC001436853804 1088498204 /nfs/dbraw/zinc/49/82/04/1088498204.db2.gz KFJFJHUFUJUOES-NCOADZHNSA-N 1 3 327.488 2.388 10 0 EEAEHO CC[C@H](C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(OC)cc2)C1)N(C)C ZINC001437946610 1090542359 /nfs/dbraw/zinc/54/23/59/1090542359.db2.gz KDIBSFGNKCSVKA-PKOBYXMFSA-N 1 3 347.503 2.364 10 0 EEAEHO CC[C@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(OC)cc2)C1)N(C)C ZINC001437946610 1090542364 /nfs/dbraw/zinc/54/23/64/1090542364.db2.gz KDIBSFGNKCSVKA-PKOBYXMFSA-N 1 3 347.503 2.364 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1C[NH+](CC[C@H]2CCCC2(F)F)C1 ZINC001438162487 1090676141 /nfs/dbraw/zinc/67/61/41/1090676141.db2.gz VUMNVBOCOLZFJE-OAHLLOKOSA-N 1 3 331.451 2.200 10 0 EEAEHO C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC(F)(F)CC1 ZINC001438175733 1090683586 /nfs/dbraw/zinc/68/35/86/1090683586.db2.gz XJVDABCCGSNHRI-GJZGRUSLSA-N 1 3 329.435 2.049 10 0 EEAEHO Cc1oncc1CNC[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001438430526 1090929967 /nfs/dbraw/zinc/92/99/67/1090929967.db2.gz AWKNURIDKOEPLJ-RDTXWAMCSA-N 1 3 336.480 2.089 10 0 EEAEHO C[C@H](CNCc1cc2ccccc2o1)NC(=O)C12CC[NH+](CC1)C2 ZINC001445480236 1091259659 /nfs/dbraw/zinc/25/96/59/1091259659.db2.gz ISLRFIBAZOJPSH-CQSZACIVSA-N 1 3 327.428 2.123 10 0 EEAEHO Cc1nocc1C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001438777935 1091372077 /nfs/dbraw/zinc/37/20/77/1091372077.db2.gz YTMRIWFEBPFDTE-ZBFHGGJFSA-N 1 3 336.480 2.040 10 0 EEAEHO CC(C)OCC[N@H+](C)C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001439366543 1092092910 /nfs/dbraw/zinc/09/29/10/1092092910.db2.gz NACHMUSQVUCGMP-YJBOKZPZSA-N 1 3 345.503 2.060 10 0 EEAEHO CC(C)OCC[N@@H+](C)C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001439366543 1092092919 /nfs/dbraw/zinc/09/29/19/1092092919.db2.gz NACHMUSQVUCGMP-YJBOKZPZSA-N 1 3 345.503 2.060 10 0 EEAEHO CC(C)OCC[N@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001439366537 1092093626 /nfs/dbraw/zinc/09/36/26/1092093626.db2.gz NACHMUSQVUCGMP-MAUKXSAKSA-N 1 3 345.503 2.060 10 0 EEAEHO CC(C)OCC[N@@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001439366537 1092093633 /nfs/dbraw/zinc/09/36/33/1092093633.db2.gz NACHMUSQVUCGMP-MAUKXSAKSA-N 1 3 345.503 2.060 10 0 EEAEHO COc1cccc(C[NH2+]C2(CNC(=O)C(C)(C)N3CCCC3)CC2)c1 ZINC001446225059 1092328427 /nfs/dbraw/zinc/32/84/27/1092328427.db2.gz PZGLYIIZJOEGJL-UHFFFAOYSA-N 1 3 345.487 2.308 10 0 EEAEHO Cc1cncc(CNC2(CNC(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)c1 ZINC001439677449 1092619550 /nfs/dbraw/zinc/61/95/50/1092619550.db2.gz PELCUWZSHVKMQH-SFHVURJKSA-N 1 3 344.503 2.249 10 0 EEAEHO CCCC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001439801038 1092756940 /nfs/dbraw/zinc/75/69/40/1092756940.db2.gz AWPLVHDUSCODPT-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO C[NH+](C)CCC(=O)N1CCCCC[C@H](NCc2cncc(F)c2)C1 ZINC001440469170 1093693927 /nfs/dbraw/zinc/69/39/27/1093693927.db2.gz DUFIEHGHSKLCEQ-KRWDZBQOSA-N 1 3 336.455 2.033 10 0 EEAEHO Cc1ccc(CC[NH2+][C@H](C)CN(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001448730810 1093800137 /nfs/dbraw/zinc/80/01/37/1093800137.db2.gz VJADYJNAGNKQFH-QZTJIDSGSA-N 1 3 331.504 2.316 10 0 EEAEHO COc1cccc(C[NH2+]CC2CC(NC(=O)CN(C)C3CCC3)C2)c1 ZINC001440758819 1094001117 /nfs/dbraw/zinc/00/11/17/1094001117.db2.gz PREBUNXHZOWPNX-UHFFFAOYSA-N 1 3 345.487 2.164 10 0 EEAEHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC001440844160 1094101614 /nfs/dbraw/zinc/10/16/14/1094101614.db2.gz VYOFQNPBAIAHPA-HZPDHXFCSA-N 1 3 349.519 2.140 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CCC2CC2)C1 ZINC001449369654 1094337416 /nfs/dbraw/zinc/33/74/16/1094337416.db2.gz OPRAOWULNWCKPD-HUUCEWRRSA-N 1 3 349.441 2.497 10 0 EEAEHO C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CN(CCc2cccs2)C1 ZINC001441213288 1094577376 /nfs/dbraw/zinc/57/73/76/1094577376.db2.gz STDMDVCLKGHJCO-LSDHHAIUSA-N 1 3 335.517 2.069 10 0 EEAEHO C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(CCc2cccs2)C1 ZINC001441213288 1094577384 /nfs/dbraw/zinc/57/73/84/1094577384.db2.gz STDMDVCLKGHJCO-LSDHHAIUSA-N 1 3 335.517 2.069 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCC(F)(F)C3)C2)CCC1 ZINC001441492954 1095171305 /nfs/dbraw/zinc/17/13/05/1095171305.db2.gz WPUDVDBLFGGLHZ-MELADBBJSA-N 1 3 329.435 2.143 10 0 EEAEHO Cc1ccncc1C[N@H+]1CCC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001441577819 1095370176 /nfs/dbraw/zinc/37/01/76/1095370176.db2.gz GQDBDLKXSMYIRF-WMZOPIPTSA-N 1 3 344.503 2.060 10 0 EEAEHO Cc1ccncc1C[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001441577819 1095370192 /nfs/dbraw/zinc/37/01/92/1095370192.db2.gz GQDBDLKXSMYIRF-WMZOPIPTSA-N 1 3 344.503 2.060 10 0 EEAEHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cccc(N(C)C)c1 ZINC001441606877 1095462936 /nfs/dbraw/zinc/46/29/36/1095462936.db2.gz YBOIYQAPONWPFJ-IAGOWNOFSA-N 1 3 346.519 2.031 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)nc2C)[C@@H]1C ZINC001441834056 1095901815 /nfs/dbraw/zinc/90/18/15/1095901815.db2.gz ZVIBOLOTHNAWGG-FUHWJXTLSA-N 1 3 332.492 2.119 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCc2cncs2)C(C)(C)C1 ZINC001441936989 1096129213 /nfs/dbraw/zinc/12/92/13/1096129213.db2.gz QMDHVMMEHGQUCL-OAHLLOKOSA-N 1 3 338.521 2.202 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2cncs2)C(C)(C)C1 ZINC001441936989 1096129219 /nfs/dbraw/zinc/12/92/19/1096129219.db2.gz QMDHVMMEHGQUCL-OAHLLOKOSA-N 1 3 338.521 2.202 10 0 EEAEHO CC[N@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CC[C@H](C)F ZINC001442721740 1097093770 /nfs/dbraw/zinc/09/37/70/1097093770.db2.gz SIGMACKJXFQXHX-YOEHRIQHSA-N 1 3 333.467 2.385 10 0 EEAEHO CC[N@@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CC[C@H](C)F ZINC001442721740 1097093773 /nfs/dbraw/zinc/09/37/73/1097093773.db2.gz SIGMACKJXFQXHX-YOEHRIQHSA-N 1 3 333.467 2.385 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)C/C=C/Cl)C1 ZINC001443348959 1097871336 /nfs/dbraw/zinc/87/13/36/1097871336.db2.gz ZOSICDNOULALPU-VKFONMJVSA-N 1 3 327.900 2.394 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)C/C=C/Cl)C1 ZINC001443348959 1097871342 /nfs/dbraw/zinc/87/13/42/1097871342.db2.gz ZOSICDNOULALPU-VKFONMJVSA-N 1 3 327.900 2.394 10 0 EEAEHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CN(C)C/C=C/Cl)C1 ZINC001443348959 1097871349 /nfs/dbraw/zinc/87/13/49/1097871349.db2.gz ZOSICDNOULALPU-VKFONMJVSA-N 1 3 327.900 2.394 10 0 EEAEHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CN(C)C/C=C/Cl)C1 ZINC001443348959 1097871355 /nfs/dbraw/zinc/87/13/55/1097871355.db2.gz ZOSICDNOULALPU-VKFONMJVSA-N 1 3 327.900 2.394 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC2C[NH+](CC3CCC3)C2)C1 ZINC001443617365 1098112832 /nfs/dbraw/zinc/11/28/32/1098112832.db2.gz UNGUNZJBHRYQPZ-SFHVURJKSA-N 1 3 325.472 2.047 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]Cc1ccc(CO)cc1 ZINC001443916354 1098438460 /nfs/dbraw/zinc/43/84/60/1098438460.db2.gz LGPOAYTUHBMATK-OALUTQOASA-N 1 3 347.503 2.036 10 0 EEAEHO Cc1ccncc1C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001444828619 1099775348 /nfs/dbraw/zinc/77/53/48/1099775348.db2.gz PKIYWQZOEUAMPJ-MJGOQNOKSA-N 1 3 346.519 2.447 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NCc2ccc(Cl)cc2F)C1 ZINC001480221134 1099839649 /nfs/dbraw/zinc/83/96/49/1099839649.db2.gz VOSFDTKBFPORJV-OKILXGFUSA-N 1 3 327.831 2.168 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]1CNCc1nc(C)oc1C ZINC001445105774 1100341298 /nfs/dbraw/zinc/34/12/98/1100341298.db2.gz HMVZCXWYXNOXGO-HOTGVXAUSA-N 1 3 336.480 2.008 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]1CNCc1nc(C)oc1C ZINC001445105774 1100341304 /nfs/dbraw/zinc/34/13/04/1100341304.db2.gz HMVZCXWYXNOXGO-HOTGVXAUSA-N 1 3 336.480 2.008 10 0 EEAEHO CC(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001446554066 1101028147 /nfs/dbraw/zinc/02/81/47/1101028147.db2.gz DVBIBGZTVGGSOT-MSOLQXFVSA-N 1 3 327.488 2.436 10 0 EEAEHO CC(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001446554066 1101028152 /nfs/dbraw/zinc/02/81/52/1101028152.db2.gz DVBIBGZTVGGSOT-MSOLQXFVSA-N 1 3 327.488 2.436 10 0 EEAEHO CC(C)(C(=O)N1CCC[C@@H](CC[NH2+]CCF)C1)N1CCCCC1 ZINC001495360048 1101074366 /nfs/dbraw/zinc/07/43/66/1101074366.db2.gz PAFJVXWCYZLBNY-INIZCTEOSA-N 1 3 327.488 2.439 10 0 EEAEHO CC[C@@H](F)C[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001495363454 1101078966 /nfs/dbraw/zinc/07/89/66/1101078966.db2.gz NIKLNVAHCCSVMC-JKSUJKDBSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]CC[C@@H]1CCOC1 ZINC001495667364 1101409371 /nfs/dbraw/zinc/40/93/71/1101409371.db2.gz QKZOAFJRMHRBAN-IAGOWNOFSA-N 1 3 339.524 2.019 10 0 EEAEHO CN(CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCC(F)(F)F)C1CCC1 ZINC001496886046 1101666912 /nfs/dbraw/zinc/66/69/12/1101666912.db2.gz DMGSTMDYOOLQAN-GXTWGEPZSA-N 1 3 335.414 2.298 10 0 EEAEHO C[C@H](C[NH2+]CCCC1CCOCC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001496078808 1102021002 /nfs/dbraw/zinc/02/10/02/1102021002.db2.gz IHSXOWVRBSANAZ-MRXNPFEDSA-N 1 3 339.524 2.114 10 0 EEAEHO O=C(NCC1(NCc2cncs2)CCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001447210524 1102209702 /nfs/dbraw/zinc/20/97/02/1102209702.db2.gz AXDRSRPESPJMAZ-GOEBONIOSA-N 1 3 348.516 2.289 10 0 EEAEHO O=C(NCC1(NCc2cncs2)CCC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001447210524 1102209706 /nfs/dbraw/zinc/20/97/06/1102209706.db2.gz AXDRSRPESPJMAZ-GOEBONIOSA-N 1 3 348.516 2.289 10 0 EEAEHO O=C(NCC1(NCc2cncs2)CCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001447210525 1102210805 /nfs/dbraw/zinc/21/08/05/1102210805.db2.gz AXDRSRPESPJMAZ-HOCLYGCPSA-N 1 3 348.516 2.289 10 0 EEAEHO O=C(NCC1(NCc2cncs2)CCC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001447210525 1102210823 /nfs/dbraw/zinc/21/08/23/1102210823.db2.gz AXDRSRPESPJMAZ-HOCLYGCPSA-N 1 3 348.516 2.289 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc2c(c1)COC2)N(C)C ZINC001497262637 1102215472 /nfs/dbraw/zinc/21/54/72/1102215472.db2.gz JAYGGHMGWHFKMV-HNAYVOBHSA-N 1 3 347.503 2.287 10 0 EEAEHO Cc1ccc(CNC/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1F ZINC001497585592 1102702667 /nfs/dbraw/zinc/70/26/67/1102702667.db2.gz KPCSGHWRZNIZJC-GWOVIKRFSA-N 1 3 333.451 2.236 10 0 EEAEHO Cc1ccc(CNC/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1F ZINC001497585592 1102702671 /nfs/dbraw/zinc/70/26/71/1102702671.db2.gz KPCSGHWRZNIZJC-GWOVIKRFSA-N 1 3 333.451 2.236 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCc1ccc(F)c(F)c1)N(C)C ZINC001497904933 1103291803 /nfs/dbraw/zinc/29/18/03/1103291803.db2.gz CBTJVPIDIPOZMH-CXAGYDPISA-N 1 3 341.446 2.188 10 0 EEAEHO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001447873974 1103490765 /nfs/dbraw/zinc/49/07/65/1103490765.db2.gz UAOCRVUQXOQAEC-HUUCEWRRSA-N 1 3 333.476 2.162 10 0 EEAEHO Cc1ncc(CNC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)s1 ZINC001498198379 1107067355 /nfs/dbraw/zinc/06/73/55/1107067355.db2.gz KASXPYVSACDJEA-BBRMVZONSA-N 1 3 338.521 2.166 10 0 EEAEHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001480789013 1107120418 /nfs/dbraw/zinc/12/04/18/1107120418.db2.gz AAXFGBXYVVEWTJ-ZIAGYGMSSA-N 1 3 338.883 2.061 10 0 EEAEHO CC(C)[C@H](C(=O)NC[C@H]1CCN(CCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001493270047 1107822052 /nfs/dbraw/zinc/82/20/52/1107822052.db2.gz ZZONNCIYMSJLEB-HUUCEWRRSA-N 1 3 349.441 2.497 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H](C[NH2+]CCC2CC2)C2CC2)C1 ZINC001498822827 1108168927 /nfs/dbraw/zinc/16/89/27/1108168927.db2.gz SJVREHGANXZNOX-LPHOPBHVSA-N 1 3 339.499 2.483 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(Cl)nc1)C1CC1)N(C)C ZINC001498862618 1108240269 /nfs/dbraw/zinc/24/02/69/1108240269.db2.gz XXAHACBAXFAVFQ-LSDHHAIUSA-N 1 3 338.883 2.060 10 0 EEAEHO CC(C)N(CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1cncn1C ZINC001493859314 1108748847 /nfs/dbraw/zinc/74/88/47/1108748847.db2.gz QZVGCDHZDYTBED-SFHVURJKSA-N 1 3 349.523 2.010 10 0 EEAEHO CC(C)N(CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)Cc1cncn1C ZINC001493859314 1108748856 /nfs/dbraw/zinc/74/88/56/1108748856.db2.gz QZVGCDHZDYTBED-SFHVURJKSA-N 1 3 349.523 2.010 10 0 EEAEHO CC[NH+]1CCC(C(=O)N[C@H]2CCN(C3CC3)C2)(c2ccccc2)CC1 ZINC001464488589 1110395280 /nfs/dbraw/zinc/39/52/80/1110395280.db2.gz XAOZJGUDTLUZLW-SFHVURJKSA-N 1 3 341.499 2.393 10 0 EEAEHO CCCC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CCOCC1 ZINC001500570395 1112948889 /nfs/dbraw/zinc/94/88/89/1112948889.db2.gz DXQRADIEINFAKO-UHFFFAOYSA-N 1 3 339.524 2.306 10 0 EEAEHO CC[C@@H](C(=O)N1CCC(C)(NCc2nccn2C)CC1)[NH+](CC)CC ZINC001502797713 1113802863 /nfs/dbraw/zinc/80/28/63/1113802863.db2.gz QRJCRUCBRBNTIZ-INIZCTEOSA-N 1 3 349.523 2.011 10 0 EEAEHO COc1cccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN(C)C(C)C)c1 ZINC001505465830 1114000496 /nfs/dbraw/zinc/00/04/96/1114000496.db2.gz NBLMZNBPPFUFRA-GOSISDBHSA-N 1 3 347.503 2.458 10 0 EEAEHO COc1cccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN(C)C(C)C)c1 ZINC001505465830 1114000500 /nfs/dbraw/zinc/00/05/00/1114000500.db2.gz NBLMZNBPPFUFRA-GOSISDBHSA-N 1 3 347.503 2.458 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@@H](C(F)(F)F)C1 ZINC001507455101 1115279734 /nfs/dbraw/zinc/27/97/34/1115279734.db2.gz AYWKTAUPICENMJ-CABCVRRESA-N 1 3 349.441 2.355 10 0 EEAEHO COCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C1 ZINC001567922082 1124181960 /nfs/dbraw/zinc/18/19/60/1124181960.db2.gz LTEAZSATVDXOEC-ROUUACIJSA-N 1 3 339.524 2.210 10 0 EEAEHO COCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C1 ZINC001567922082 1124181963 /nfs/dbraw/zinc/18/19/63/1124181963.db2.gz LTEAZSATVDXOEC-ROUUACIJSA-N 1 3 339.524 2.210 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1ccccc1F)N(C)C ZINC001568279533 1124400902 /nfs/dbraw/zinc/40/09/02/1124400902.db2.gz PMPRNWXZWYOJKY-YJBOKZPZSA-N 1 3 337.483 2.391 10 0 EEAEHO COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)Cc2nc[nH]c2C)c1C ZINC001568703811 1124720336 /nfs/dbraw/zinc/72/03/36/1124720336.db2.gz VSXGCOBBSYHUPJ-CYBMUJFWSA-N 1 3 344.459 2.262 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC/C=C/C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001568920011 1124946924 /nfs/dbraw/zinc/94/69/24/1124946924.db2.gz NFXNYDFRKHFERX-KZSQQDEKSA-N 1 3 340.471 2.272 10 0 EEAEHO CCCN1CCN([C@@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC000022176535 212280049 /nfs/dbraw/zinc/28/00/49/212280049.db2.gz SJYOSIKNVLOJDG-HNNXBMFYSA-N 1 3 326.282 2.477 10 0 EEAEHO Cc1nc2ccccc2nc1CN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000069948368 203065635 /nfs/dbraw/zinc/06/56/35/203065635.db2.gz BEAJAGZNZQRIJX-HNNXBMFYSA-N 1 3 342.487 2.463 10 0 EEAEHO CN1CCN(CCCCN2Cc3c(cccc3Cl)[C@@H]2C[NH3+])CC1 ZINC000071683248 203103390 /nfs/dbraw/zinc/10/33/90/203103390.db2.gz MAWOQDOMZUZLAN-SFHVURJKSA-N 1 3 336.911 2.183 10 0 EEAEHO COc1cccc([C@@H](C)[NH+]2CCC(C(=O)NCCN(C)C)CC2)c1 ZINC000079409089 292195909 /nfs/dbraw/zinc/19/59/09/292195909.db2.gz ROVCCXKJMOHSDG-OAHLLOKOSA-N 1 3 333.476 2.146 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+]2C[C@H](O)[C@@H](CC)C2)CC1 ZINC000355197117 163108272 /nfs/dbraw/zinc/10/82/72/163108272.db2.gz LABRFKUIAXQLTD-PXNSSMCTSA-N 1 3 331.504 2.421 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+]2C[C@H](O)[C@@H](CC)C2)CC1 ZINC000355197117 163108274 /nfs/dbraw/zinc/10/82/74/163108274.db2.gz LABRFKUIAXQLTD-PXNSSMCTSA-N 1 3 331.504 2.421 10 0 EEAEHO CC[C@@H]1Oc2cc([C@@H](C)N[C@H](CCC[NH3+])COC)ccc2NC1=O ZINC000422810579 287343674 /nfs/dbraw/zinc/34/36/74/287343674.db2.gz NSTRODJDGQFGDW-XPKDYRNWSA-N 1 3 335.448 2.201 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000291682984 275329600 /nfs/dbraw/zinc/32/96/00/275329600.db2.gz CPEZDYCACCPSHH-VQIMIIECSA-N 1 3 329.488 2.498 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](O)[C@@H](C)C2)CC1 ZINC000428472048 276013152 /nfs/dbraw/zinc/01/31/52/276013152.db2.gz DZFRDQACOKDTJG-PXNSSMCTSA-N 1 3 331.504 2.421 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](O)[C@@H](C)C2)CC1 ZINC000428472048 276013154 /nfs/dbraw/zinc/01/31/54/276013154.db2.gz DZFRDQACOKDTJG-PXNSSMCTSA-N 1 3 331.504 2.421 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000349669722 278003055 /nfs/dbraw/zinc/00/30/55/278003055.db2.gz QRTALVXJGWUDCR-SOLBZPMBSA-N 1 3 336.524 2.233 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000349669722 278003057 /nfs/dbraw/zinc/00/30/57/278003057.db2.gz QRTALVXJGWUDCR-SOLBZPMBSA-N 1 3 336.524 2.233 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000416847285 313335208 /nfs/dbraw/zinc/33/52/08/313335208.db2.gz VFXAPXQAMWVVQU-RTBURBONSA-N 1 3 344.503 2.388 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1ccsc1 ZINC000417011527 313393739 /nfs/dbraw/zinc/39/37/39/313393739.db2.gz SGEJGWBSCORNGT-CWRNSKLLSA-N 1 3 338.521 2.428 10 0 EEAEHO C[NH+](C)CCOc1ccccc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000444619550 315311428 /nfs/dbraw/zinc/31/14/28/315311428.db2.gz XYDPJQIENVJDNX-UHFFFAOYSA-N 1 3 347.503 2.479 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)N2CCCC2)cc1 ZINC000518938863 316752682 /nfs/dbraw/zinc/75/26/82/316752682.db2.gz WDUMHRFLHXQQMF-SZMVWBNQSA-N 1 3 330.476 2.263 10 0 EEAEHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000576688935 320195111 /nfs/dbraw/zinc/19/51/11/320195111.db2.gz XJKDBCWLSGYKEH-MAUKXSAKSA-N 1 3 330.476 2.476 10 0 EEAEHO CN(C)C[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)c1ccc(F)cc1 ZINC000577009759 320224288 /nfs/dbraw/zinc/22/42/88/320224288.db2.gz VVEZFFUCYKRGRI-SFHVURJKSA-N 1 3 344.434 2.466 10 0 EEAEHO CN(C)CCOc1cccc(NC(=O)c2ccccc2CC[NH3+])c1 ZINC000391653749 323548164 /nfs/dbraw/zinc/54/81/64/323548164.db2.gz GIDGABQQAMERET-UHFFFAOYSA-N 1 3 327.428 2.381 10 0 EEAEHO CC1=CCN(CCNC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000341360032 465130081 /nfs/dbraw/zinc/13/00/81/465130081.db2.gz DIDHLUZWABVVJV-GOSISDBHSA-N 1 3 344.503 2.458 10 0 EEAEHO CC1=CCN(CCNC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000341360032 465130085 /nfs/dbraw/zinc/13/00/85/465130085.db2.gz DIDHLUZWABVVJV-GOSISDBHSA-N 1 3 344.503 2.458 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cccc(C)n3)CC2)CC1 ZINC000578880290 468273067 /nfs/dbraw/zinc/27/30/67/468273067.db2.gz IAALRSLHWVOBMQ-UHFFFAOYSA-N 1 3 344.503 2.203 10 0 EEAEHO C[C@@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000348048834 465392440 /nfs/dbraw/zinc/39/24/40/465392440.db2.gz WOBDOGMSPIRANI-BDUQCRIQSA-N 1 3 341.499 2.496 10 0 EEAEHO C[C@H]1CCCCN1CCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000046372334 462675096 /nfs/dbraw/zinc/67/50/96/462675096.db2.gz DKCFAKFRZWDQHH-INIZCTEOSA-N 1 3 332.492 2.422 10 0 EEAEHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000049794898 462978225 /nfs/dbraw/zinc/97/82/25/462978225.db2.gz VQJSEXYVBWRMMM-PKOBYXMFSA-N 1 3 346.519 2.333 10 0 EEAEHO C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000049794898 462978230 /nfs/dbraw/zinc/97/82/30/462978230.db2.gz VQJSEXYVBWRMMM-PKOBYXMFSA-N 1 3 346.519 2.333 10 0 EEAEHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(N)C(F)(F)F ZINC000568399238 468331957 /nfs/dbraw/zinc/33/19/57/468331957.db2.gz GIGLXOMRQSHFEJ-AWEZNQCLSA-N 1 3 344.381 2.036 10 0 EEAEHO C[N@H+](CCC1OCCO1)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000124181787 463396469 /nfs/dbraw/zinc/39/64/69/463396469.db2.gz RVSPIAPHLUUAPE-IBGZPJMESA-N 1 3 348.487 2.127 10 0 EEAEHO C[N@@H+](CCC1OCCO1)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000124181787 463396471 /nfs/dbraw/zinc/39/64/71/463396471.db2.gz RVSPIAPHLUUAPE-IBGZPJMESA-N 1 3 348.487 2.127 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)c1csc(Br)c1 ZINC000103212833 463398408 /nfs/dbraw/zinc/39/84/08/463398408.db2.gz OKIKHSZYMDBCIP-UHFFFAOYSA-N 1 3 348.310 2.076 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000170863084 463725004 /nfs/dbraw/zinc/72/50/04/463725004.db2.gz TWWDXNBNNCWCRM-ZWKOTPCHSA-N 1 3 332.492 2.415 10 0 EEAEHO C[N@H+](CCCNC(=O)N1CC[C@@H](N2CC=CC2)C1)C1CCCCC1 ZINC000173850159 464321814 /nfs/dbraw/zinc/32/18/14/464321814.db2.gz BNLFTZYVEIXHGQ-GOSISDBHSA-N 1 3 334.508 2.297 10 0 EEAEHO C[N@@H+](CCCNC(=O)N1CC[C@@H](N2CC=CC2)C1)C1CCCCC1 ZINC000173850159 464321818 /nfs/dbraw/zinc/32/18/18/464321818.db2.gz BNLFTZYVEIXHGQ-GOSISDBHSA-N 1 3 334.508 2.297 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)NCCN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000174267211 464385838 /nfs/dbraw/zinc/38/58/38/464385838.db2.gz SYZPYQUFMWIOQB-SJLPKXTDSA-N 1 3 332.492 2.243 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)NCCN(C)Cc2ccccc2)CC[N@H+]1C ZINC000174267211 464385842 /nfs/dbraw/zinc/38/58/42/464385842.db2.gz SYZPYQUFMWIOQB-SJLPKXTDSA-N 1 3 332.492 2.243 10 0 EEAEHO CC(C)N1CCN(c2ccc(C(=O)NCCCC[NH+](C)C)cc2)CC1 ZINC000264846417 464489672 /nfs/dbraw/zinc/48/96/72/464489672.db2.gz BILZQWPTBPUSBZ-UHFFFAOYSA-N 1 3 346.519 2.289 10 0 EEAEHO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](CC(C)C)CN(C)C)C1 ZINC000245585461 464496394 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EEAEHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000340146878 465814562 /nfs/dbraw/zinc/81/45/62/465814562.db2.gz HSOPRBHOLNGXIP-QRQLOZEOSA-N 1 3 344.503 2.463 10 0 EEAEHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000340146878 465814571 /nfs/dbraw/zinc/81/45/71/465814571.db2.gz HSOPRBHOLNGXIP-QRQLOZEOSA-N 1 3 344.503 2.463 10 0 EEAEHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1OCCO ZINC000353451597 465892512 /nfs/dbraw/zinc/89/25/12/465892512.db2.gz AUPMAHCXFZGQNW-BBWFWOEESA-N 1 3 334.460 2.029 10 0 EEAEHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ccc1OCCO ZINC000353451597 465892519 /nfs/dbraw/zinc/89/25/19/465892519.db2.gz AUPMAHCXFZGQNW-BBWFWOEESA-N 1 3 334.460 2.029 10 0 EEAEHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)ccc1OCCO ZINC000353451597 465892528 /nfs/dbraw/zinc/89/25/28/465892528.db2.gz AUPMAHCXFZGQNW-BBWFWOEESA-N 1 3 334.460 2.029 10 0 EEAEHO CC[C@H]1C[C@@H](CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCO1 ZINC000349342051 466073712 /nfs/dbraw/zinc/07/37/12/466073712.db2.gz CWZANXSOKSIVLQ-BYDNXPSSSA-N 1 3 335.536 2.434 10 0 EEAEHO CC[C@H]1C[C@@H](CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCO1 ZINC000349342051 466073718 /nfs/dbraw/zinc/07/37/18/466073718.db2.gz CWZANXSOKSIVLQ-BYDNXPSSSA-N 1 3 335.536 2.434 10 0 EEAEHO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000349661253 466179719 /nfs/dbraw/zinc/17/97/19/466179719.db2.gz HNPMUQZBNSGUKU-FUHWJXTLSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000349661253 466179726 /nfs/dbraw/zinc/17/97/26/466179726.db2.gz HNPMUQZBNSGUKU-FUHWJXTLSA-N 1 3 336.524 2.377 10 0 EEAEHO C[N@@H+]1CC[C@H](NCCNc2nccc(C(F)(F)F)n2)[C@H]2CCC[C@H]21 ZINC000367603280 466443003 /nfs/dbraw/zinc/44/30/03/466443003.db2.gz YUNNYRHOUABAPT-FRRDWIJNSA-N 1 3 343.397 2.370 10 0 EEAEHO C[N@H+]1CC[C@H](NCCNc2nccc(C(F)(F)F)n2)[C@H]2CCC[C@H]21 ZINC000367603280 466443013 /nfs/dbraw/zinc/44/30/13/466443013.db2.gz YUNNYRHOUABAPT-FRRDWIJNSA-N 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ZINC000417220304 466805975 /nfs/dbraw/zinc/80/59/75/466805975.db2.gz LGRXBHSPPNOXNR-SZVBFZGTSA-N 1 3 342.487 2.358 10 0 EEAEHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000417630425 466895481 /nfs/dbraw/zinc/89/54/81/466895481.db2.gz QXHWQIHNWZPPIS-YQQAZPJKSA-N 1 3 332.492 2.413 10 0 EEAEHO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc(C)c1O ZINC000377657948 467107601 /nfs/dbraw/zinc/10/76/01/467107601.db2.gz IVZVWSJYFIIRNN-HKUYNNGSSA-N 1 3 331.504 2.467 10 0 EEAEHO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc(C)c1O ZINC000377657948 467107604 /nfs/dbraw/zinc/10/76/04/467107604.db2.gz IVZVWSJYFIIRNN-HKUYNNGSSA-N 1 3 331.504 2.467 10 0 EEAEHO Cc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc(C)c1O ZINC000377657948 467107608 /nfs/dbraw/zinc/10/76/08/467107608.db2.gz IVZVWSJYFIIRNN-HKUYNNGSSA-N 1 3 331.504 2.467 10 0 EEAEHO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc(C)c1O ZINC000377657962 467108202 /nfs/dbraw/zinc/10/82/02/467108202.db2.gz IVZVWSJYFIIRNN-MJGOQNOKSA-N 1 3 331.504 2.467 10 0 EEAEHO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc(C)c1O ZINC000377657962 467108206 /nfs/dbraw/zinc/10/82/06/467108206.db2.gz IVZVWSJYFIIRNN-MJGOQNOKSA-N 1 3 331.504 2.467 10 0 EEAEHO Cc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc(C)c1O ZINC000377657962 467108208 /nfs/dbraw/zinc/10/82/08/467108208.db2.gz IVZVWSJYFIIRNN-MJGOQNOKSA-N 1 3 331.504 2.467 10 0 EEAEHO CCN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418564552 467128973 /nfs/dbraw/zinc/12/89/73/467128973.db2.gz WYOOIAHDYATFNR-YTQUADARSA-N 1 3 344.503 2.290 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000418597846 467133971 /nfs/dbraw/zinc/13/39/71/467133971.db2.gz QBDSTWWPDWATLA-IEBWSBKVSA-N 1 3 346.519 2.190 10 0 EEAEHO Cc1nn(-c2ccncc2)cc1CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432344846 467233247 /nfs/dbraw/zinc/23/32/47/467233247.db2.gz FXVRHXZDTDWRLE-INIZCTEOSA-N 1 3 343.475 2.166 10 0 EEAEHO Cc1nn(-c2ccncc2)cc1CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432344846 467233251 /nfs/dbraw/zinc/23/32/51/467233251.db2.gz FXVRHXZDTDWRLE-INIZCTEOSA-N 1 3 343.475 2.166 10 0 EEAEHO Cc1nn(-c2ccncc2)cc1C[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000432344846 467233256 /nfs/dbraw/zinc/23/32/56/467233256.db2.gz FXVRHXZDTDWRLE-INIZCTEOSA-N 1 3 343.475 2.166 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)CC1 ZINC000428472047 467236269 /nfs/dbraw/zinc/23/62/69/467236269.db2.gz DZFRDQACOKDTJG-FXAWDEMLSA-N 1 3 331.504 2.421 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](O)[C@@H](C)C2)CC1 ZINC000428472047 467236271 /nfs/dbraw/zinc/23/62/71/467236271.db2.gz DZFRDQACOKDTJG-FXAWDEMLSA-N 1 3 331.504 2.421 10 0 EEAEHO C[C@H](Cn1cc(Br)ccc1=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000414110440 467377859 /nfs/dbraw/zinc/37/78/59/467377859.db2.gz LSJGHIZVDZMJDP-YRGRVCCFSA-N 1 3 342.281 2.072 10 0 EEAEHO C[C@H](Cn1cc(Br)ccc1=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000414110440 467377861 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C[C@@H]1CC[C@H](NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)C[NH2+]1 ZINC000627206576 469844865 /nfs/dbraw/zinc/84/48/65/469844865.db2.gz HKHAJTXDLXZNPH-KCXAZCMYSA-N 1 3 338.883 2.382 10 0 EEAEHO Cn1cc(CCN2CCC(C[N@H+](C)Cc3ccccc3)CC2)nn1 ZINC000625132621 470082368 /nfs/dbraw/zinc/08/23/68/470082368.db2.gz UIBJHLLLZIKCMJ-UHFFFAOYSA-N 1 3 327.476 2.202 10 0 EEAEHO Cn1cc(CCN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nn1 ZINC000625132621 470082372 /nfs/dbraw/zinc/08/23/72/470082372.db2.gz UIBJHLLLZIKCMJ-UHFFFAOYSA-N 1 3 327.476 2.202 10 0 EEAEHO CN1CCC(n2cc(NC(=O)NCC3([NH3+])CCCCCC3)cn2)CC1 ZINC000632962328 470300392 /nfs/dbraw/zinc/30/03/92/470300392.db2.gz JSNKMNCDCDKOCM-UHFFFAOYSA-N 1 3 348.495 2.323 10 0 EEAEHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NC/C=C\C[NH3+] ZINC000641869440 470504820 /nfs/dbraw/zinc/50/48/20/470504820.db2.gz ACNCLHTXXMRASN-MJRGOJFPSA-N 1 3 330.476 2.055 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC000633613757 470531740 /nfs/dbraw/zinc/53/17/40/470531740.db2.gz 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CC[C@@H]1C[C@H](NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CO1 ZINC000657355131 471110070 /nfs/dbraw/zinc/11/00/70/471110070.db2.gz CJCPWTYSGFUSSO-CEXWTWQISA-N 1 3 345.487 2.041 10 0 EEAEHO C[NH+]1CCC(CNCc2cn(C3CCC3)nn2)(N2CCCCC2)CC1 ZINC000657376460 471118504 /nfs/dbraw/zinc/11/85/04/471118504.db2.gz GZBIZWGOBNIHLW-UHFFFAOYSA-N 1 3 346.523 2.043 10 0 EEAEHO CN1CCC(CNCc2cn(C3CCC3)nn2)([NH+]2CCCCC2)CC1 ZINC000657376460 471118510 /nfs/dbraw/zinc/11/85/10/471118510.db2.gz GZBIZWGOBNIHLW-UHFFFAOYSA-N 1 3 346.523 2.043 10 0 EEAEHO CN(C)c1ccncc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657535104 471163072 /nfs/dbraw/zinc/16/30/72/471163072.db2.gz DKTNEEVVCSKSLW-UHFFFAOYSA-N 1 3 332.492 2.128 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)NCCC1(C[NH3+])CC1)c1ccccc1 ZINC000652119442 471238735 /nfs/dbraw/zinc/23/87/35/471238735.db2.gz DUNKNPVQQUFSBR-QGZVFWFLSA-N 1 3 332.492 2.498 10 0 EEAEHO CN1CC[C@@H](NC(=O)NCCC2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000652174446 471250301 /nfs/dbraw/zinc/25/03/01/471250301.db2.gz 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C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCc2ccccc2C1 ZINC000663897026 471569068 /nfs/dbraw/zinc/56/90/68/471569068.db2.gz ODKKFCZJXVMVTP-LPHOPBHVSA-N 1 3 346.519 2.115 10 0 EEAEHO C[NH2+]Cc1ccccc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000659303217 471573100 /nfs/dbraw/zinc/57/31/00/471573100.db2.gz MEVNWDNIUWOAEM-STQMWFEESA-N 1 3 346.349 2.329 10 0 EEAEHO COc1cc(F)ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665492884 472064866 /nfs/dbraw/zinc/06/48/66/472064866.db2.gz GTBFCGPIWZLLCB-ZDUSSCGKSA-N 1 3 340.443 2.228 10 0 EEAEHO COc1cc(F)ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665492884 472064873 /nfs/dbraw/zinc/06/48/73/472064873.db2.gz GTBFCGPIWZLLCB-ZDUSSCGKSA-N 1 3 340.443 2.228 10 0 EEAEHO C[NH+](C)CCC[C@H]1CN([C@@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000662324345 472071442 /nfs/dbraw/zinc/07/14/42/472071442.db2.gz VMUSQHLNOQWRMF-UXHICEINSA-N 1 3 331.504 2.304 10 0 EEAEHO CN1c2ccccc2C[C@@H](NC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000668476104 472138501 /nfs/dbraw/zinc/13/85/01/472138501.db2.gz 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ZINC000299740141 490738485 /nfs/dbraw/zinc/73/84/85/490738485.db2.gz WFOMZQSMSVUEGU-GDAAHCPNSA-N 1 3 345.487 2.322 10 0 EEAEHO Brc1cnn(CCCC[NH2+][C@H]2CCNC23CCC3)c1 ZINC000925652396 684743067 /nfs/dbraw/zinc/74/30/67/684743067.db2.gz DVGLCMGFLMJGML-ZDUSSCGKSA-N 1 3 327.270 2.300 10 0 EEAEHO C[C@H]1[C@H](NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)CCN1C ZINC000925326259 692474330 /nfs/dbraw/zinc/47/43/30/692474330.db2.gz PZABIVKAFCLYSV-PKOBYXMFSA-N 1 3 346.519 2.285 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)C1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001485541121 1191828791 /nfs/dbraw/zinc/82/87/91/1191828791.db2.gz XRUBWDWNPQAGEO-HNAYVOBHSA-N 1 3 329.488 2.451 10 0 EEAEHO CC(C)N(C)CC(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC001266247708 1176022637 /nfs/dbraw/zinc/02/26/37/1176022637.db2.gz TUJYMSHVLSAZIR-GOSISDBHSA-N 1 3 332.492 2.283 10 0 EEAEHO CC(C)N(C)CC(=O)NCCC[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC001266247708 1176022648 /nfs/dbraw/zinc/02/26/48/1176022648.db2.gz TUJYMSHVLSAZIR-GOSISDBHSA-N 1 3 332.492 2.283 10 0 EEAEHO Cc1cccnc1CN1CCC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001266765932 1177378856 /nfs/dbraw/zinc/37/88/56/1177378856.db2.gz BOUPHPKREPVZHZ-SFHVURJKSA-N 1 3 346.519 2.450 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCNCc2ccc(C)nc2C)C1 ZINC001266813394 1177473029 /nfs/dbraw/zinc/47/30/29/1177473029.db2.gz PYLPMEOQQPBULE-LJQANCHMSA-N 1 3 346.519 2.368 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCNCc2ccc(C)nc2C)C1 ZINC001266813394 1177473031 /nfs/dbraw/zinc/47/30/31/1177473031.db2.gz PYLPMEOQQPBULE-LJQANCHMSA-N 1 3 346.519 2.368 10 0 EEAEHO C[C@H](C(=O)N(C)CCNCc1cncc(F)c1)[NH+]1CCCCCC1 ZINC001266851849 1177555964 /nfs/dbraw/zinc/55/59/64/1177555964.db2.gz FPPLUIQLWAAHLX-OAHLLOKOSA-N 1 3 336.455 2.033 10 0 EEAEHO COCCCC[NH2+][C@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001267185804 1178450090 /nfs/dbraw/zinc/45/00/90/1178450090.db2.gz SRCQZCKEHTUIRD-MRXNPFEDSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CNCc1c(C)nsc1C ZINC001496196835 1179091981 /nfs/dbraw/zinc/09/19/81/1179091981.db2.gz RHQVKBRBZGOZET-GFCCVEGCSA-N 1 3 326.510 2.038 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNCc1c(C)nsc1C ZINC001496196835 1179091987 /nfs/dbraw/zinc/09/19/87/1179091987.db2.gz RHQVKBRBZGOZET-GFCCVEGCSA-N 1 3 326.510 2.038 10 0 EEAEHO CN(Cc1cc(C2CC2)no1)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481518520 1181629929 /nfs/dbraw/zinc/62/99/29/1181629929.db2.gz XJUBKVLJGLAJHD-UHFFFAOYSA-N 1 3 348.491 2.174 10 0 EEAEHO C[C@H](C[NH2+]CCCCC1CCOCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001268079004 1181688216 /nfs/dbraw/zinc/68/82/16/1181688216.db2.gz NLUNLLMBVUGVAP-SJLPKXTDSA-N 1 3 339.524 2.114 10 0 EEAEHO CCN(CC[NH2+]CCc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN1C ZINC001268439714 1182614679 /nfs/dbraw/zinc/61/46/79/1182614679.db2.gz SQWKFEVFBRCNHB-KRWDZBQOSA-N 1 3 337.895 2.415 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cc(C)ccc1F ZINC001481813291 1182728487 /nfs/dbraw/zinc/72/84/87/1182728487.db2.gz YDVADGHAWXVDNR-DJIMGWMZSA-N 1 3 335.467 2.459 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cc(C)ccc1F ZINC001481813291 1182728491 /nfs/dbraw/zinc/72/84/91/1182728491.db2.gz YDVADGHAWXVDNR-DJIMGWMZSA-N 1 3 335.467 2.459 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)NCc1cncs1 ZINC001481854589 1182813546 /nfs/dbraw/zinc/81/35/46/1182813546.db2.gz FFDCKJIEJLHAQC-ZBFHGGJFSA-N 1 3 338.521 2.390 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)NCc1cncs1 ZINC001481854589 1182813553 /nfs/dbraw/zinc/81/35/53/1182813553.db2.gz FFDCKJIEJLHAQC-ZBFHGGJFSA-N 1 3 338.521 2.390 10 0 EEAEHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1cc(C)ccc1F ZINC001481869119 1182841187 /nfs/dbraw/zinc/84/11/87/1182841187.db2.gz IQFPCKFXPXJLLI-MRXNPFEDSA-N 1 3 333.451 2.214 10 0 EEAEHO Cc1ncoc1CNCC1(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC001481912921 1182936777 /nfs/dbraw/zinc/93/67/77/1182936777.db2.gz KXXDJKJJIYMFOX-GJZGRUSLSA-N 1 3 348.491 2.374 10 0 EEAEHO CN(C)C1(C(=O)NC/C=C/C[NH2+]Cc2ccc3c(c2)CCC3)CCC1 ZINC001268550311 1183234102 /nfs/dbraw/zinc/23/41/02/1183234102.db2.gz OCUASYYNGWJCMG-ONEGZZNKSA-N 1 3 341.499 2.422 10 0 EEAEHO CC(C)OCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCN1C ZINC001269570380 1184399411 /nfs/dbraw/zinc/39/94/11/1184399411.db2.gz KANVMTBPCYIYIV-HQSKLWIPSA-N 1 3 337.508 2.007 10 0 EEAEHO Cc1oncc1C[NH2+]CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001269871041 1184682910 /nfs/dbraw/zinc/68/29/10/1184682910.db2.gz KTBLSNZYDUOVHO-UHFFFAOYSA-N 1 3 348.491 2.186 10 0 EEAEHO C[C@H](C[NH2+]CCc1ccc(Cl)cc1)N(C)C(=O)Cc1c[nH]cn1 ZINC001482335060 1185425610 /nfs/dbraw/zinc/42/56/10/1185425610.db2.gz GNROLWOTBUSOHQ-CYBMUJFWSA-N 1 3 334.851 2.285 10 0 EEAEHO C[C@@H](CNCc1ccnc(Cl)c1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482353841 1185489711 /nfs/dbraw/zinc/48/97/11/1185489711.db2.gz LTIHFVSQFFFMAG-DZGCQCFKSA-N 1 3 338.883 2.013 10 0 EEAEHO C[C@@H](CNCc1ccnc(Cl)c1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482353841 1185489715 /nfs/dbraw/zinc/48/97/15/1185489715.db2.gz LTIHFVSQFFFMAG-DZGCQCFKSA-N 1 3 338.883 2.013 10 0 EEAEHO C[C@H](C[NH2+]CCc1ccccc1Cl)N(C)C(=O)[C@@H]1CCCN1C ZINC001270921285 1185742370 /nfs/dbraw/zinc/74/23/70/1185742370.db2.gz HUYVBLKEHBYEIH-PBHICJAKSA-N 1 3 337.895 2.413 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccn1 ZINC001482463342 1185936237 /nfs/dbraw/zinc/93/62/37/1185936237.db2.gz YGBCSEBWXLRFHE-SFHVURJKSA-N 1 3 332.492 2.283 10 0 EEAEHO Cc1cncc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CN(C)C(C)C)c1 ZINC001482698834 1187668699 /nfs/dbraw/zinc/66/86/99/1187668699.db2.gz NPMOUVUFAVHZRU-ROUUACIJSA-N 1 3 332.492 2.105 10 0 EEAEHO C[C@H](CC[NH2+]CCc1ccccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001482839479 1187758247 /nfs/dbraw/zinc/75/82/47/1187758247.db2.gz JWZVAAWSYINGDJ-OAHLLOKOSA-N 1 3 335.467 2.337 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H]1CCCc2ccccc21 ZINC001482992713 1187970669 /nfs/dbraw/zinc/97/06/69/1187970669.db2.gz YIEQNTOTBWAFJY-XOIGSVRCSA-N 1 3 327.472 2.420 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001483044795 1188242214 /nfs/dbraw/zinc/24/22/14/1188242214.db2.gz RXFDJIOMZZPNLX-ZMUQKWFASA-N 1 3 326.444 2.024 10 0 EEAEHO C[C@H](C[NH2+]CCCC1CCOCC1)NC(=O)C(C)(C)N1CCCC1 ZINC001483156146 1188960936 /nfs/dbraw/zinc/96/09/36/1188960936.db2.gz JVHMZTJUDWVCOD-MRXNPFEDSA-N 1 3 339.524 2.162 10 0 EEAEHO C[C@@H](NCc1ccnn1C)[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001409348141 1189559363 /nfs/dbraw/zinc/55/93/63/1189559363.db2.gz GJEXQIFBHAZARC-CABCVRRESA-N 1 3 349.523 2.056 10 0 EEAEHO C[C@@H](NCc1ccnn1C)[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001409348141 1189559365 /nfs/dbraw/zinc/55/93/65/1189559365.db2.gz GJEXQIFBHAZARC-CABCVRRESA-N 1 3 349.523 2.056 10 0 EEAEHO C[C@H](CN(C)Cc1cc2ccccc2o1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483411139 1190456992 /nfs/dbraw/zinc/45/69/92/1190456992.db2.gz YVCQXKDLGHESAM-OAHLLOKOSA-N 1 3 341.455 2.465 10 0 EEAEHO C[C@@H](CN(C)[C@H]1CCc2ccc(F)cc21)NC(=O)C12CC[NH+](CC1)C2 ZINC001483410887 1190457564 /nfs/dbraw/zinc/45/75/64/1190457564.db2.gz QQCZLFFMCCPIGQ-KSSFIOAISA-N 1 3 345.462 2.345 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cncs2)[C@@H](CC)C1 ZINC001483626955 1190691630 /nfs/dbraw/zinc/69/16/30/1190691630.db2.gz TZEVLIMSHHQJEW-GOEBONIOSA-N 1 3 338.521 2.202 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnc(C)s2)C[C@H]1C ZINC001483915747 1191115041 /nfs/dbraw/zinc/11/50/41/1191115041.db2.gz HYHHMTCCBMCZHP-UKRRQHHQSA-N 1 3 338.521 2.262 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]Cc1cncs1)C1CCCC1 ZINC001484015049 1191156377 /nfs/dbraw/zinc/15/63/77/1191156377.db2.gz VEFMBKIKAKTBNP-MRXNPFEDSA-N 1 3 338.521 2.248 10 0 EEAEHO CC[NH+]1CCC(C)(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001484142133 1191237266 /nfs/dbraw/zinc/23/72/66/1191237266.db2.gz URHJSHHFGIMGEU-GOSISDBHSA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(C)n1 ZINC001484513252 1191391038 /nfs/dbraw/zinc/39/10/38/1191391038.db2.gz OHYBYFAEBBUEDD-IEBWSBKVSA-N 1 3 344.503 2.121 10 0 EEAEHO Cc1cccnc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001484525604 1191398626 /nfs/dbraw/zinc/39/86/26/1191398626.db2.gz RNYYYXZZZMBYFF-MJGOQNOKSA-N 1 3 346.519 2.304 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCOCC2CCC2)CC1)N(C)C ZINC001484722356 1191492285 /nfs/dbraw/zinc/49/22/85/1191492285.db2.gz UXHSXOXBXIPMHC-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCOCC2CCC2)CC1)N(C)C ZINC001484722356 1191492286 /nfs/dbraw/zinc/49/22/86/1191492286.db2.gz UXHSXOXBXIPMHC-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO COc1ccc(C)cc1C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001484910786 1191571326 /nfs/dbraw/zinc/57/13/26/1191571326.db2.gz YIMHYOSACIIYIP-FUHWJXTLSA-N 1 3 347.503 2.280 10 0 EEAEHO Cc1nc(C)c(CN2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C)s1 ZINC001484976997 1191596967 /nfs/dbraw/zinc/59/69/67/1191596967.db2.gz OWPUXXAJZSBOAM-SWLSCSKDSA-N 1 3 338.521 2.181 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2CN(C)CCOCC)C1 ZINC001485067731 1191635762 /nfs/dbraw/zinc/63/57/62/1191635762.db2.gz TXHNQLVUYDRFCZ-MSOLQXFVSA-N 1 3 339.524 2.068 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2CN(C)CCOCC)C1 ZINC001485067731 1191635763 /nfs/dbraw/zinc/63/57/63/1191635763.db2.gz TXHNQLVUYDRFCZ-MSOLQXFVSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1ccccc1OCC[NH2+][C@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001485155149 1191667898 /nfs/dbraw/zinc/66/78/98/1191667898.db2.gz IQYQGNMIFVIOCR-SJORKVTESA-N 1 3 347.503 2.341 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCCCC(F)(F)F ZINC001485218559 1191689947 /nfs/dbraw/zinc/68/99/47/1191689947.db2.gz VMCPZDVNWYOWLW-GHMZBOCLSA-N 1 3 334.386 2.476 10 0 EEAEHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC001485214569 1191696414 /nfs/dbraw/zinc/69/64/14/1191696414.db2.gz GSYXJMRROPRHDJ-HZPDHXFCSA-N 1 3 347.503 2.084 10 0 EEAEHO Cc1oncc1C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001410188169 1197593537 /nfs/dbraw/zinc/59/35/37/1197593537.db2.gz OWDBYFCABCEYBG-XYJFISCASA-N 1 3 348.491 2.040 10 0 EEAEHO Cc1oncc1C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001410188169 1197593538 /nfs/dbraw/zinc/59/35/38/1197593538.db2.gz OWDBYFCABCEYBG-XYJFISCASA-N 1 3 348.491 2.040 10 0 EEAEHO Cc1ccc(F)c(CN[C@@H](C)CN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001410368309 1197759114 /nfs/dbraw/zinc/75/91/14/1197759114.db2.gz AVWCSPQASNFBAY-MAUKXSAKSA-N 1 3 347.478 2.412 10 0 EEAEHO CCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CCO1 ZINC001273260372 1197841214 /nfs/dbraw/zinc/84/12/14/1197841214.db2.gz IHVJQFZEFVGDME-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC001410505791 1198063195 /nfs/dbraw/zinc/06/31/95/1198063195.db2.gz KLMKUJXIFDMWNO-MRXNPFEDSA-N 1 3 347.503 2.036 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)N[C@]34CCC[C@H]3OCC4)CC2)CC1 ZINC000872281410 1198127785 /nfs/dbraw/zinc/12/77/85/1198127785.db2.gz SENWAACUMGRAAK-QUCCMNQESA-N 1 3 349.519 2.011 10 0 EEAEHO Cc1ncccc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001410949329 1198616626 /nfs/dbraw/zinc/61/66/26/1198616626.db2.gz FSVPGAAPABIHLF-FUHWJXTLSA-N 1 3 332.492 2.105 10 0 EEAEHO CN1CCC([N@@H+]2CC[C@H](N[C@@H]3c4ccccc4OC[C@@H]3F)C2)CC1 ZINC000866264663 1201479799 /nfs/dbraw/zinc/47/97/99/1201479799.db2.gz CMCGSZCEIJWVJL-UCLAIMLFSA-N 1 3 333.451 2.216 10 0 EEAEHO CN1CCC([N@H+]2CC[C@H](N[C@@H]3c4ccccc4OC[C@@H]3F)C2)CC1 ZINC000866264663 1201479800 /nfs/dbraw/zinc/47/98/00/1201479800.db2.gz CMCGSZCEIJWVJL-UCLAIMLFSA-N 1 3 333.451 2.216 10 0 EEAEHO CN(C)C1(C(=O)NC/C=C/C[NH2+]Cc2ccc3cc[nH]c3c2)CCC1 ZINC001274090312 1204366995 /nfs/dbraw/zinc/36/69/95/1204366995.db2.gz ZAKGWYPEPFZDSG-ONEGZZNKSA-N 1 3 340.471 2.414 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC/C=C\C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001274533979 1205069939 /nfs/dbraw/zinc/06/99/39/1205069939.db2.gz HKAJFBNQNNEETC-PYLYLYNFSA-N 1 3 340.418 2.348 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001274608240 1205095620 /nfs/dbraw/zinc/09/56/20/1205095620.db2.gz DUGBJVHWTAAXAK-VZSQWMKGSA-N 1 3 344.503 2.272 10 0 EEAEHO CC(C)OCC[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001274786294 1205164741 /nfs/dbraw/zinc/16/47/41/1205164741.db2.gz LRUJJDSBBMGYLB-MAUKXSAKSA-N 1 3 345.503 2.108 10 0 EEAEHO C[NH+](C)CCCCC(=O)N1CCC[C@@H]([C@H]2CCN(CCF)C2)C1 ZINC001275184530 1205276794 /nfs/dbraw/zinc/27/67/94/1205276794.db2.gz PXUPLEKQCXQGLW-SJORKVTESA-N 1 3 327.488 2.248 10 0 EEAEHO Cc1nc(CNCCCN(C)C(=O)C2CC[NH+](C)CC2)sc1C ZINC001276209434 1205834484 /nfs/dbraw/zinc/83/44/84/1205834484.db2.gz VLLZYYYBQPMSNV-UHFFFAOYSA-N 1 3 338.521 2.040 10 0 EEAEHO CC1([NH+]2CCC2)CCC(NC(=O)N2CC[C@@H](N3CC=CC3)C2)CC1 ZINC000927290190 1206251104 /nfs/dbraw/zinc/25/11/04/1206251104.db2.gz MBOMAVPNYNTEKO-TVRKMHQQSA-N 1 3 332.492 2.049 10 0 EEAEHO c1cc([C@@H]2CCCN2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc2c1OCO2 ZINC000903729176 1241742970 /nfs/dbraw/zinc/74/29/70/1241742970.db2.gz JYWBEYJAXBHCCT-GJYPPUQNSA-N 1 3 330.428 2.321 10 0 EEAEHO CCN(Cc1ccc(OC)cc1)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903885080 1242316295 /nfs/dbraw/zinc/31/62/95/1242316295.db2.gz DBFPKJDAKXEDRZ-QGZVFWFLSA-N 1 3 330.476 2.377 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CNCc2ccc(OC(C)C)cc2)cnn1C ZINC000903922991 1242514638 /nfs/dbraw/zinc/51/46/38/1242514638.db2.gz IYIYMVHORQEWIV-KRWDZBQOSA-N 1 3 330.476 2.423 10 0 EEAEHO Cc1c(C[C@H](CN)C[NH2+]CC[C@@H]2CCc3ccccc3N2)cnn1C ZINC000903932470 1242554014 /nfs/dbraw/zinc/55/40/14/1242554014.db2.gz RWJDHHAGFKSCCZ-APWZRJJASA-N 1 3 341.503 2.253 10 0 EEAEHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CC[C@@]2(CCc3ccccc32)C1 ZINC000903937738 1242587197 /nfs/dbraw/zinc/58/71/97/1242587197.db2.gz QMHHOBBTQWJZBU-PXNSSMCTSA-N 1 3 337.471 2.293 10 0 EEAEHO Cc1c(C[C@@H](CN)C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)cnn1C ZINC000903947610 1242659810 /nfs/dbraw/zinc/65/98/10/1242659810.db2.gz CCNQNHFHOMZERR-HKUYNNGSSA-N 1 3 348.535 2.375 10 0 EEAEHO Cc1c(C[C@@H](CN)C[N@H+]2CCCC[C@H](C3CCOCC3)C2)cnn1C ZINC000903947610 1242659825 /nfs/dbraw/zinc/65/98/25/1242659825.db2.gz CCNQNHFHOMZERR-HKUYNNGSSA-N 1 3 348.535 2.375 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCc2ccc(F)c(F)c2)C1 ZINC001490957736 1258509183 /nfs/dbraw/zinc/50/91/83/1258509183.db2.gz BEKIADMIAODJHD-SHTZXODSSA-N 1 3 339.430 2.084 10 0 EEAEHO COCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001491121943 1258707427 /nfs/dbraw/zinc/70/74/27/1258707427.db2.gz CUSNIKKUHITXBZ-QZTJIDSGSA-N 1 3 339.524 2.116 10 0 EEAEHO COCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001491121943 1258707433 /nfs/dbraw/zinc/70/74/33/1258707433.db2.gz CUSNIKKUHITXBZ-QZTJIDSGSA-N 1 3 339.524 2.116 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCOc1ccccc1 ZINC001491453907 1259104143 /nfs/dbraw/zinc/10/41/43/1259104143.db2.gz DWMLRGRJCOLOMV-AEFFLSMTSA-N 1 3 333.476 2.033 10 0 EEAEHO Cc1nsc(C)c1C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001488805500 1290204910 /nfs/dbraw/zinc/20/49/10/1290204910.db2.gz SZVOPVXSZMXKHY-GASCZTMLSA-N 1 3 338.521 2.085 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@H+](C)CC[C@@H]2CCCO2)C1 ZINC001490782964 1291728111 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344.569 2.184 10 0 EEAEHO CCCC[N@H+](C)CC1CCN(C[C@H]2CN=C(c3cnn(C)c3)O2)CC1 ZINC000929298177 1297069871 /nfs/dbraw/zinc/06/98/71/1297069871.db2.gz VCLBSLBBSQPIOB-GOSISDBHSA-N 1 3 347.507 2.009 10 0 EEAEHO CCCC[N@@H+](C)CC1CCN(C[C@H]2CN=C(c3cnn(C)c3)O2)CC1 ZINC000929298177 1297069886 /nfs/dbraw/zinc/06/98/86/1297069886.db2.gz VCLBSLBBSQPIOB-GOSISDBHSA-N 1 3 347.507 2.009 10 0 EEAEHO C[C@H](CCCNCc1cccc(Cl)n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001277356275 1302615341 /nfs/dbraw/zinc/61/53/41/1302615341.db2.gz RDGTWALVTDAGCB-KGLIPLIRSA-N 1 3 338.883 2.061 10 0 EEAEHO C[C@H](CCCNCc1cccc(Cl)n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001277356275 1302615355 /nfs/dbraw/zinc/61/53/55/1302615355.db2.gz RDGTWALVTDAGCB-KGLIPLIRSA-N 1 3 338.883 2.061 10 0 EEAEHO CCCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C(F)(F)F ZINC001278705827 1317804899 /nfs/dbraw/zinc/80/48/99/1317804899.db2.gz ZOQHEYQKVSJPJS-KBPBESRZSA-N 1 3 349.441 2.497 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCN(CCCOC(C)C)C2)C1 ZINC001265299861 1323051948 /nfs/dbraw/zinc/05/19/48/1323051948.db2.gz VHZKOBBIYTVUSM-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCN(CCCOC(C)C)C2)C1 ZINC001265299861 1323051955 /nfs/dbraw/zinc/05/19/55/1323051955.db2.gz VHZKOBBIYTVUSM-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001266099795 1323662841 /nfs/dbraw/zinc/66/28/41/1323662841.db2.gz MUPPUPCJUCLPHR-MSOLQXFVSA-N 1 3 339.524 2.209 10 0 EEAEHO COCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001266099795 1323662846 /nfs/dbraw/zinc/66/28/46/1323662846.db2.gz MUPPUPCJUCLPHR-MSOLQXFVSA-N 1 3 339.524 2.209 10 0 EEAEHO Cc1cccc(C)c1OCC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001491772418 1330250215 /nfs/dbraw/zinc/25/02/15/1330250215.db2.gz GHIMCBDXLVPOBM-SFHVURJKSA-N 1 3 347.503 2.213 10 0 EEAEHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccnc(Cl)c1)C1CC1)N(C)C ZINC001317028027 1332049548 /nfs/dbraw/zinc/04/95/48/1332049548.db2.gz APFYQSTUMLYOIE-GJZGRUSLSA-N 1 3 338.883 2.060 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCc2ccccc2OC)C1)N(C)C ZINC001317066698 1332067522 /nfs/dbraw/zinc/06/75/22/1332067522.db2.gz BMFBVSPIMXQIHZ-ZWKOTPCHSA-N 1 3 347.503 2.159 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCc2ccc(OC)cc2)C1)N(C)C ZINC001317325906 1332180094 /nfs/dbraw/zinc/18/00/94/1332180094.db2.gz JMICOPPJAPDNNI-IEBWSBKVSA-N 1 3 347.503 2.016 10 0 EEAEHO Cc1ncc(CNCCN(C)C(=O)C2CC[NH+](C(C)C)CC2)s1 ZINC001317647150 1332346909 /nfs/dbraw/zinc/34/69/09/1332346909.db2.gz QQLXJKPUAJTMCE-UHFFFAOYSA-N 1 3 338.521 2.120 10 0 EEAEHO Cc1nsc(C)c1CNCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001317670868 1332362247 /nfs/dbraw/zinc/36/22/47/1332362247.db2.gz YCBRFZDLFUVOMM-BETUJISGSA-N 1 3 338.521 2.181 10 0 EEAEHO Cc1nsc(C)c1CNCCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001317670868 1332362249 /nfs/dbraw/zinc/36/22/49/1332362249.db2.gz YCBRFZDLFUVOMM-BETUJISGSA-N 1 3 338.521 2.181 10 0 EEAEHO CCCN(C)CC(=O)N1CCC(CC[NH2+]Cc2ccns2)CC1 ZINC001318929544 1332625309 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CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc2c(c1)COC2)N(C)C ZINC001320609073 1332920241 /nfs/dbraw/zinc/92/02/41/1332920241.db2.gz QXKGCKGYYBHTLS-KDOFPFPSSA-N 1 3 333.476 2.041 10 0 EEAEHO CC[C@H](C(=O)NC/C=C\C[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C ZINC001321110766 1333021731 /nfs/dbraw/zinc/02/17/31/1333021731.db2.gz NRKYXKIZXPMTCI-JBZXTQMFSA-N 1 3 331.451 2.414 10 0 EEAEHO CCCc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)cc1 ZINC001321187278 1333039969 /nfs/dbraw/zinc/03/99/69/1333039969.db2.gz BJUYCHRGMLNIJG-PHWHVTFISA-N 1 3 329.488 2.495 10 0 EEAEHO CN(CC(=O)N[C@@H](C[NH2+]C/C=C\Cl)C1CCCC1)C1CCC1 ZINC001324483870 1333692316 /nfs/dbraw/zinc/69/23/16/1333692316.db2.gz UHNONEFUTBXYBK-AVFOEOQDSA-N 1 3 327.900 2.488 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@H](CC[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001326366194 1334077240 /nfs/dbraw/zinc/07/72/40/1334077240.db2.gz ZRXFKVVCYDLSNH-WMZOPIPTSA-N 1 3 347.478 2.496 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCCCOC)CC1 ZINC001328048954 1334384527 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C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001433587304 1341633332 /nfs/dbraw/zinc/63/33/32/1341633332.db2.gz AVNAMDSTXIKTMS-GBESFXJTSA-N 1 3 329.488 2.498 10 0 EEAEHO CN(C[C@H]1CCN1C[C@H]1CCC(F)(F)C1)C(=O)C1(C[NH+](C)C)CC1 ZINC001436330885 1342034947 /nfs/dbraw/zinc/03/49/47/1342034947.db2.gz NOOTTWJVPJUZCD-LSDHHAIUSA-N 1 3 343.462 2.296 10 0 EEAEHO C[NH+](C)CCCC(=O)N1CCC[C@@]2(CCN(C/C=C\Cl)C2)C1 ZINC001502546004 1342208857 /nfs/dbraw/zinc/20/88/57/1342208857.db2.gz MCSNAABFMDFNJA-OOYWPUHTSA-N 1 3 327.900 2.395 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001673923684 1356760927 /nfs/dbraw/zinc/76/09/27/1356760927.db2.gz NKWMWKTVOWYCST-PKOBYXMFSA-N 1 3 331.504 2.398 10 0 EEAEHO COCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001566962785 1342666313 /nfs/dbraw/zinc/66/63/13/1342666313.db2.gz LUNDPFOMQMJWLF-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO COCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001566962785 1342666316 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334.291 2.276 10 0 EEAEHO C[N@H+]1CC[C@@H](C(=O)NC2(CNCC=C(Cl)Cl)CCCC2)C1 ZINC001649444787 1353509157 /nfs/dbraw/zinc/50/91/57/1353509157.db2.gz PEMMWMQNOMYJMN-GFCCVEGCSA-N 1 3 334.291 2.276 10 0 EEAEHO COCCCC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001656899433 1354296593 /nfs/dbraw/zinc/29/65/93/1354296593.db2.gz ORCAYHQSPMRNSY-ZWKOTPCHSA-N 1 3 339.524 2.116 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](CC)C[C@@H]1CCCCO1 ZINC001660632674 1354505445 /nfs/dbraw/zinc/50/54/45/1354505445.db2.gz UODUPJHURONMNO-ZWKOTPCHSA-N 1 3 339.524 2.258 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](CC)C[C@@H]1CCCCO1 ZINC001660632674 1354505446 /nfs/dbraw/zinc/50/54/46/1354505446.db2.gz UODUPJHURONMNO-ZWKOTPCHSA-N 1 3 339.524 2.258 10 0 EEAEHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1)N(C)C ZINC001661496066 1354646047 /nfs/dbraw/zinc/64/60/47/1354646047.db2.gz MGBZKBBIMIYNTO-ZDEQEGDKSA-N 1 3 336.307 2.147 10 0 EEAEHO COc1cccc(/C=C/CC[NH2+]CCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001663856122 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C[C@@H](CCNC(=O)CC[NH+](C)C)NCc1cc(F)ccc1Cl ZINC001480790439 1107122486 /nfs/dbraw/zinc/12/24/86/1107122486.db2.gz OXUUTBMDECMCPZ-LBPRGKRZSA-N 1 3 329.847 2.415 10 0 EEAEHO Cc1ccncc1CNCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001493758293 1108632560 /nfs/dbraw/zinc/63/25/60/1108632560.db2.gz FDFCNQMCKVQNIO-UHFFFAOYSA-N 1 3 344.503 2.060 10 0 EEAEHO C[C@H]1[C@@H](NC(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)CCN1C ZINC001479379256 1110688671 /nfs/dbraw/zinc/68/86/71/1110688671.db2.gz SSUVSGNYBLNBBO-BZSNNMDCSA-N 1 3 336.524 2.375 10 0 EEAEHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1)N(C)C ZINC001479409995 1110693094 /nfs/dbraw/zinc/69/30/94/1110693094.db2.gz YUIGFLIGBIWCHV-YHUYYLMFSA-N 1 3 345.478 2.492 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001479416413 1110694049 /nfs/dbraw/zinc/69/40/49/1110694049.db2.gz HUBNMPRDZNQFMF-SHTZXODSSA-N 1 3 338.883 2.060 10 0 EEAEHO CN(C)C1(C(=O)NCC2([NH2+][C@H]3CCc4ccccc43)CC2)CCC1 ZINC001499249664 1112200144 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332.492 2.201 10 0 EEAEHO COCCC[N@@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C1 ZINC001502832229 1113825345 /nfs/dbraw/zinc/82/53/45/1113825345.db2.gz NNTCZORLQOPAHO-INIZCTEOSA-N 1 3 341.540 2.218 10 0 EEAEHO COCCC[N@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C1 ZINC001502832229 1113825349 /nfs/dbraw/zinc/82/53/49/1113825349.db2.gz NNTCZORLQOPAHO-INIZCTEOSA-N 1 3 341.540 2.218 10 0 EEAEHO CN(CC(C)(C)C[NH2+]CCc1ccccc1F)C(=O)Cc1c[nH]cn1 ZINC001505837119 1114224700 /nfs/dbraw/zinc/22/47/00/1114224700.db2.gz OLAJGSJBRMCOGG-UHFFFAOYSA-N 1 3 346.450 2.408 10 0 EEAEHO CC/C=C\CC[NH2+][C@H](C)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001506830434 1114899756 /nfs/dbraw/zinc/89/97/56/1114899756.db2.gz AEGUDNJZZUMVPQ-GOVFWEMJSA-N 1 3 337.508 2.033 10 0 EEAEHO Cc1ncc(CNC[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001507428700 1115264110 /nfs/dbraw/zinc/26/41/10/1115264110.db2.gz UHGBLVHXPTYNHJ-SJORKVTESA-N 1 3 348.491 2.234 10 0 EEAEHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2CN(CCCCCF)C2)C1 ZINC001567846246 1124137544 /nfs/dbraw/zinc/13/75/44/1124137544.db2.gz OHCTWNYZRUNVTI-IRXDYDNUSA-N 1 3 327.488 2.295 10 0 EEAEHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccnc(Cl)c1 ZINC001567985104 1124217190 /nfs/dbraw/zinc/21/71/90/1124217190.db2.gz AFFFHPDJGZPEPM-ZBFHGGJFSA-N 1 3 340.899 2.306 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCCC1CCOCC1 ZINC001568992221 1125026828 /nfs/dbraw/zinc/02/68/28/1125026828.db2.gz UJHXGUDCECYQBW-SJLPKXTDSA-N 1 3 339.524 2.160 10 0 EEAEHO Cc1nc(C)c(CNCCCN(C)C(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001569214237 1125171047 /nfs/dbraw/zinc/17/10/47/1125171047.db2.gz ZVXRKRQUPHOFJT-UHFFFAOYSA-N 1 3 348.491 2.106 10 0 EEAEHO COCC[NH+](CCOC)CC[C@H](N)c1ccccc1Br ZINC000054022002 214210788 /nfs/dbraw/zinc/21/07/88/214210788.db2.gz BLYLWXCLVQYXQP-HNNXBMFYSA-N 1 3 345.281 2.434 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@H]1c1ccccc1 ZINC000416031166 283125953 /nfs/dbraw/zinc/12/59/53/283125953.db2.gz OBGUMWXLPNPPGN-MELADBBJSA-N 1 3 344.381 2.011 10 0 EEAEHO 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C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000563559518 319023443 /nfs/dbraw/zinc/02/34/43/319023443.db2.gz RUMGQYIZWNPYBC-CRAIPNDOSA-N 1 3 344.503 2.121 10 0 EEAEHO CN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)CC3CCCC3)cc2)CC1 ZINC000563880961 319051697 /nfs/dbraw/zinc/05/16/97/319051697.db2.gz HGYCNSWRBXVDSD-NRFANRHFSA-N 1 3 345.531 2.465 10 0 EEAEHO NC[C@@H]1c2ccccc2CCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000578130302 320296314 /nfs/dbraw/zinc/29/63/14/320296314.db2.gz BRDFPGGFGYJIPU-QGZVFWFLSA-N 1 3 330.476 2.306 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000580412284 324056789 /nfs/dbraw/zinc/05/67/89/324056789.db2.gz OOQKTHWHUSWNHK-ROUUACIJSA-N 1 3 326.444 2.233 10 0 EEAEHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000580539095 324082777 /nfs/dbraw/zinc/08/27/77/324082777.db2.gz IBDTWNNDHCOMJG-LPHOPBHVSA-N 1 3 344.503 2.257 10 0 EEAEHO CN(C)[C@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000163145625 463566439 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CC(C)C[C@@H](CN(C)C)NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000079096825 463187919 /nfs/dbraw/zinc/18/79/19/463187919.db2.gz CHMIMJXHTGVPQD-KRWDZBQOSA-N 1 3 326.529 2.382 10 0 EEAEHO CN(C)[C@@H]1CCCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000072274282 463492575 /nfs/dbraw/zinc/49/25/75/463492575.db2.gz YZASYDWTAQWBON-GOSISDBHSA-N 1 3 336.524 2.377 10 0 EEAEHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000152388819 463683395 /nfs/dbraw/zinc/68/33/95/463683395.db2.gz KAMHHINVHDISCN-KURKYZTESA-N 1 3 336.524 2.375 10 0 EEAEHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000152388819 463683398 /nfs/dbraw/zinc/68/33/98/463683398.db2.gz KAMHHINVHDISCN-KURKYZTESA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@H]1C[C@@H](N(C)C(=O)C2(N)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261869673 463883766 /nfs/dbraw/zinc/88/37/66/463883766.db2.gz NXSNFTWSGXJCDN-WMZOPIPTSA-N 1 3 345.487 2.006 10 0 EEAEHO C[C@H]1C[C@@H](N(C)C(=O)C2(N)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261869673 463883772 /nfs/dbraw/zinc/88/37/72/463883772.db2.gz NXSNFTWSGXJCDN-WMZOPIPTSA-N 1 3 345.487 2.006 10 0 EEAEHO CC[NH+]1CCC(CCNC(=O)c2ccccc2OCCN(C)C)CC1 ZINC000174121457 464365154 /nfs/dbraw/zinc/36/51/54/464365154.db2.gz BTBGOWQVKVUMEY-UHFFFAOYSA-N 1 3 347.503 2.479 10 0 EEAEHO C[C@@H]1CCC[C@](CNC(=O)N2CC[C@@H](N3CC=CC3)C2)([NH+](C)C)C1 ZINC000245662455 464502619 /nfs/dbraw/zinc/50/26/19/464502619.db2.gz DJFBTMCMQZCFQN-LMMKCTJWSA-N 1 3 334.508 2.153 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@H](CN(C)C)c2ccccc2)C[N@@H+]1C1CC1 ZINC000246347675 464575065 /nfs/dbraw/zinc/57/50/65/464575065.db2.gz OVTJJYZYDXXIML-UWWQBHOKSA-N 1 3 330.476 2.214 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@H](CN(C)C)c2ccccc2)C[N@H+]1C1CC1 ZINC000246347675 464575068 /nfs/dbraw/zinc/57/50/68/464575068.db2.gz OVTJJYZYDXXIML-UWWQBHOKSA-N 1 3 330.476 2.214 10 0 EEAEHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000246489942 464591728 /nfs/dbraw/zinc/59/17/28/464591728.db2.gz MEZPAURLDNZGIV-WMZOPIPTSA-N 1 3 327.472 2.003 10 0 EEAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000192754003 464990350 /nfs/dbraw/zinc/99/03/50/464990350.db2.gz NNKSBWZCJCKXRH-KRWDZBQOSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000192754003 464990354 /nfs/dbraw/zinc/99/03/54/464990354.db2.gz NNKSBWZCJCKXRH-KRWDZBQOSA-N 1 3 339.524 2.066 10 0 EEAEHO C[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1cccc(OCCN(C)C)c1 ZINC000348207616 465490830 /nfs/dbraw/zinc/49/08/30/465490830.db2.gz PVDROVRYODYCGU-QFBILLFUSA-N 1 3 343.471 2.449 10 0 EEAEHO C[NH+]1CCC(O)(CNCc2ccc(-c3ccncc3)cc2F)CC1 ZINC000344542765 465657949 /nfs/dbraw/zinc/65/79/49/465657949.db2.gz DBEQTRGXSAEJNW-UHFFFAOYSA-N 1 3 329.419 2.434 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000340092250 465758792 /nfs/dbraw/zinc/75/87/92/465758792.db2.gz BLVCSAAQRSTVSP-DDBAPUKQSA-N 1 3 330.476 2.214 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC[N@H+]1C ZINC000340092250 465758795 /nfs/dbraw/zinc/75/87/95/465758795.db2.gz BLVCSAAQRSTVSP-DDBAPUKQSA-N 1 3 330.476 2.214 10 0 EEAEHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)C1=CCN(C)CC1)CC2 ZINC000358093138 466449123 /nfs/dbraw/zinc/44/91/23/466449123.db2.gz AESXEZQAGBDNHE-JQHSSLGASA-N 1 3 334.508 2.294 10 0 EEAEHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)C1=CCN(C)CC1)CC2 ZINC000358093138 466449131 /nfs/dbraw/zinc/44/91/31/466449131.db2.gz AESXEZQAGBDNHE-JQHSSLGASA-N 1 3 334.508 2.294 10 0 EEAEHO CC(C)[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccnc1 ZINC000423381106 466733589 /nfs/dbraw/zinc/73/35/89/466733589.db2.gz HRIWTBRCQZBROA-LSDHHAIUSA-N 1 3 330.398 2.204 10 0 EEAEHO C[NH+](C)[C@@H](CNC(=O)NC[C@H](N)c1ccccc1)C1CCCCC1 ZINC000417025087 466757611 /nfs/dbraw/zinc/75/76/11/466757611.db2.gz XNNJAXOIRLFTLO-ROUUACIJSA-N 1 3 332.492 2.496 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417536186 466878855 /nfs/dbraw/zinc/87/88/55/466878855.db2.gz QLKMHHYKVJWDPP-MHORFTMASA-N 1 3 336.524 2.280 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CCC[C@@H](CC[NH3+])C2)[C@@H]1c1ccccc1 ZINC000417953207 467000459 /nfs/dbraw/zinc/00/04/59/467000459.db2.gz ZCVBBBAOGQYAST-SZMVWBNQSA-N 1 3 330.476 2.202 10 0 EEAEHO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000418466356 467114886 /nfs/dbraw/zinc/11/48/86/467114886.db2.gz RECABNWVHYEYJM-DNVCBOLYSA-N 1 3 330.476 2.334 10 0 EEAEHO Cc1nn(-c2ccncc2)cc1CNCCC[NH2+]Cc1cccnc1 ZINC000414872053 467443642 /nfs/dbraw/zinc/44/36/42/467443642.db2.gz FNWKBFFEMCIODW-UHFFFAOYSA-N 1 3 336.443 2.240 10 0 EEAEHO Cc1nn(-c2ccncc2)cc1C[NH2+]CCCNCc1cccnc1 ZINC000414872053 467443646 /nfs/dbraw/zinc/44/36/46/467443646.db2.gz FNWKBFFEMCIODW-UHFFFAOYSA-N 1 3 336.443 2.240 10 0 EEAEHO CC(C)N(C(=O)[C@@H](C)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000530241879 467966788 /nfs/dbraw/zinc/96/67/88/467966788.db2.gz RMBWJDYNNIKCEW-AEFFLSMTSA-N 1 3 339.524 2.111 10 0 EEAEHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000533913463 468227585 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C[C@H](CNC(=O)Nc1ccc2c(c1F)CCNC2)C[NH+]1CCCC1 ZINC000562769630 469065207 /nfs/dbraw/zinc/06/52/07/469065207.db2.gz RZCDEBOPPMEAEJ-CYBMUJFWSA-N 1 3 334.439 2.325 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)N[C@@H]1CCCN(C)C1 ZINC000607236564 469677544 /nfs/dbraw/zinc/67/75/44/469677544.db2.gz VHDHONYCZQHFBY-IEBWSBKVSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@@H]1CCCN(C)C1 ZINC000607236564 469677547 /nfs/dbraw/zinc/67/75/47/469677547.db2.gz VHDHONYCZQHFBY-IEBWSBKVSA-N 1 3 344.503 2.387 10 0 EEAEHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1(C)C ZINC000623515820 469680789 /nfs/dbraw/zinc/68/07/89/469680789.db2.gz RNSBUJKIYFGPAG-DLBZAZTESA-N 1 3 345.487 2.129 10 0 EEAEHO C[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1(C)C ZINC000623515820 469680791 /nfs/dbraw/zinc/68/07/91/469680791.db2.gz RNSBUJKIYFGPAG-DLBZAZTESA-N 1 3 345.487 2.129 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@]3(C)C[C@H]4C[C@H]4C3)CC2)CC1 ZINC000623564718 469695989 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330.476 2.182 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)C[NH2+]1 ZINC000627209754 469845467 /nfs/dbraw/zinc/84/54/67/469845467.db2.gz INNVANKRWAPEOC-NZSAHSFTSA-N 1 3 344.503 2.085 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000627240005 469854009 /nfs/dbraw/zinc/85/40/09/469854009.db2.gz JMAJUVIBGOIVOZ-RYQLBKOJSA-N 1 3 330.476 2.043 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000631662351 470176815 /nfs/dbraw/zinc/17/68/15/470176815.db2.gz FKWVUIPRLNASLD-BPQIPLTHSA-N 1 3 329.488 2.401 10 0 EEAEHO CN(C(=O)[C@]12CCC[C@H]1C[NH2+]C2)C1CCN(Cc2ccccc2)CC1 ZINC000634767996 470303322 /nfs/dbraw/zinc/30/33/22/470303322.db2.gz SHJHFVPZUZCLLR-RXVVDRJESA-N 1 3 341.499 2.499 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000648866630 470375066 /nfs/dbraw/zinc/37/50/66/470375066.db2.gz FLHLKJNYEYNPJQ-POAQFYNOSA-N 1 3 329.488 2.498 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000648866630 470375070 /nfs/dbraw/zinc/37/50/70/470375070.db2.gz FLHLKJNYEYNPJQ-POAQFYNOSA-N 1 3 329.488 2.498 10 0 EEAEHO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000646335280 470608521 /nfs/dbraw/zinc/60/85/21/470608521.db2.gz ATDLLYHMHUWSFZ-OALUTQOASA-N 1 3 345.487 2.456 10 0 EEAEHO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000646335280 470608524 /nfs/dbraw/zinc/60/85/24/470608524.db2.gz ATDLLYHMHUWSFZ-OALUTQOASA-N 1 3 345.487 2.456 10 0 EEAEHO C[C@@H](NC(=O)c1ccccc1OCCN1CCCC[C@H]1C)[C@H](C)[NH3+] ZINC000647068425 470818948 /nfs/dbraw/zinc/81/89/48/470818948.db2.gz UOOSZYJRQRWDQT-OWCLPIDISA-N 1 3 333.476 2.405 10 0 EEAEHO c1cc(CNCC2CC[NH+](CC3CC3)CC2)n(-c2ccncc2)n1 ZINC000657814793 471237455 /nfs/dbraw/zinc/23/74/55/471237455.db2.gz MJTRRSWEUGJTIM-UHFFFAOYSA-N 1 3 325.460 2.479 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1scnc1C1CC1 ZINC000666473310 471415040 /nfs/dbraw/zinc/41/50/40/471415040.db2.gz VPLUXFBIFNKSJZ-LBPRGKRZSA-N 1 3 339.509 2.414 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1scnc1C1CC1 ZINC000666473310 471415044 /nfs/dbraw/zinc/41/50/44/471415044.db2.gz VPLUXFBIFNKSJZ-LBPRGKRZSA-N 1 3 339.509 2.414 10 0 EEAEHO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659031808 471475125 /nfs/dbraw/zinc/47/51/25/471475125.db2.gz OELRFQCLSQRXAJ-RHSMWYFYSA-N 1 3 334.464 2.199 10 0 EEAEHO CCCN1CCN(c2ccccc2CNC[C@H]2CCCC[NH2+]2)CC1 ZINC000666770173 471530698 /nfs/dbraw/zinc/53/06/98/471530698.db2.gz OBQCEIHNLNRUKL-LJQANCHMSA-N 1 3 330.520 2.450 10 0 EEAEHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](CN)C(F)(F)F)cc1 ZINC000655911095 471533492 /nfs/dbraw/zinc/53/34/92/471533492.db2.gz ANHNBIHTBYXJGE-CQSZACIVSA-N 1 3 346.397 2.217 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000659436111 471627035 /nfs/dbraw/zinc/62/70/35/471627035.db2.gz PJVZINRDDCGJSR-QZTJIDSGSA-N 1 3 332.492 2.496 10 0 EEAEHO C[C@H]1C[C@@H](NC(=O)N2CC[C@@H](F)[C@H](N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000659465689 471641296 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CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1ccnc(Cl)c1 ZINC001321842106 1333166287 /nfs/dbraw/zinc/16/62/87/1333166287.db2.gz LKKJUDVWBDSBCB-DZGCQCFKSA-N 1 3 338.883 2.202 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1ccnc(Cl)c1 ZINC001321842106 1333166290 /nfs/dbraw/zinc/16/62/90/1333166290.db2.gz LKKJUDVWBDSBCB-DZGCQCFKSA-N 1 3 338.883 2.202 10 0 EEAEHO CCOCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCN1C ZINC001323659632 1333510686 /nfs/dbraw/zinc/51/06/86/1333510686.db2.gz DBCGHMJOKRNJPV-HQSKLWIPSA-N 1 3 337.508 2.009 10 0 EEAEHO COCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001324557983 1333709487 /nfs/dbraw/zinc/70/94/87/1333709487.db2.gz XBDDLJIEGVLOMP-IBGZPJMESA-N 1 3 348.491 2.083 10 0 EEAEHO COCCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001324557983 1333709492 /nfs/dbraw/zinc/70/94/92/1333709492.db2.gz XBDDLJIEGVLOMP-IBGZPJMESA-N 1 3 348.491 2.083 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCF)C1 ZINC001324796906 1333761533 /nfs/dbraw/zinc/76/15/33/1333761533.db2.gz DQTIXZCQWYZKTD-FUHWJXTLSA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1ncccc1C[NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001326285220 1334059317 /nfs/dbraw/zinc/05/93/17/1334059317.db2.gz CFACTTKFQQDEQZ-KRWDZBQOSA-N 1 3 344.503 2.203 10 0 EEAEHO Cc1noc(C)c1C[NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001326290612 1334061190 /nfs/dbraw/zinc/06/11/90/1334061190.db2.gz VHGFVFJCYVJELR-MRXNPFEDSA-N 1 3 348.491 2.104 10 0 EEAEHO CCOCCC[NH2+]C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001326747907 1334153573 /nfs/dbraw/zinc/15/35/73/1334153573.db2.gz KYCROZIYSXDFHA-GOSISDBHSA-N 1 3 339.524 2.116 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCCc1ccsc1 ZINC001329170676 1334599284 /nfs/dbraw/zinc/59/92/84/1334599284.db2.gz JGZOHFYBNBWNGR-OLZOCXBDSA-N 1 3 334.489 2.438 10 0 EEAEHO C[C@@H]1C[C@@H]([NH2+]CCCCC2CCOCC2)CN1C(=O)Cc1c[nH]cn1 ZINC001332027745 1335709126 /nfs/dbraw/zinc/70/91/26/1335709126.db2.gz NBKAJISNKRGMKY-CRAIPNDOSA-N 1 3 348.491 2.128 10 0 EEAEHO CCN(CCNCc1sc(C)nc1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001668614305 1355972883 /nfs/dbraw/zinc/97/28/83/1355972883.db2.gz SMFKRMKWVKGBNU-OAHLLOKOSA-N 1 3 338.521 2.040 10 0 EEAEHO CCN(CCNCc1sc(C)nc1C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001668614305 1355972885 /nfs/dbraw/zinc/97/28/85/1355972885.db2.gz SMFKRMKWVKGBNU-OAHLLOKOSA-N 1 3 338.521 2.040 10 0 EEAEHO CCN(CCNCc1cc(C)ccc1OC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001668555896 1355962303 /nfs/dbraw/zinc/96/23/03/1355962303.db2.gz YQXBMGZOXRMENP-KRWDZBQOSA-N 1 3 347.503 2.284 10 0 EEAEHO CCN(CCNCc1cc(C)ccc1OC)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001668555896 1355962306 /nfs/dbraw/zinc/96/23/06/1355962306.db2.gz YQXBMGZOXRMENP-KRWDZBQOSA-N 1 3 347.503 2.284 10 0 EEAEHO CN(C)C1(C(=O)NC[C@@H]2C[N@H+](CC3CCC3)CCC2(F)F)CCC1 ZINC001500611231 1342186409 /nfs/dbraw/zinc/18/64/09/1342186409.db2.gz PGRDWYNCLTYVKF-OAHLLOKOSA-N 1 3 343.462 2.344 10 0 EEAEHO CN(C)C1(C(=O)NC[C@@H]2C[N@@H+](CC3CCC3)CCC2(F)F)CCC1 ZINC001500611231 1342186414 /nfs/dbraw/zinc/18/64/14/1342186414.db2.gz PGRDWYNCLTYVKF-OAHLLOKOSA-N 1 3 343.462 2.344 10 0 EEAEHO COCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)C1CCC1 ZINC001569440287 1342870567 /nfs/dbraw/zinc/87/05/67/1342870567.db2.gz DBYNKVXOBYIAEZ-ZNXRZULTSA-N 1 3 337.508 2.009 10 0 EEAEHO CCCC[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CCOCC1 ZINC001569736030 1342936535 /nfs/dbraw/zinc/93/65/35/1342936535.db2.gz NSDFDEZDAHSSPN-UHFFFAOYSA-N 1 3 347.503 2.417 10 0 EEAEHO C[C@H](F)CC[NH2+]CC[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001570009525 1342998195 /nfs/dbraw/zinc/99/81/95/1342998195.db2.gz IOLPKAXRQSMGSX-IRXDYDNUSA-N 1 3 327.488 2.295 10 0 EEAEHO CC(C)(CNC(=O)[C@@H]1CCCC[C@H]1[NH3+])N1CCc2ccccc2C1 ZINC001645892683 1352807539 /nfs/dbraw/zinc/80/75/39/1352807539.db2.gz JIYGVPWVGSJUMU-QZTJIDSGSA-N 1 3 329.488 2.457 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]CC/C=C\c2ccccc2)C1 ZINC001649439910 1353506295 /nfs/dbraw/zinc/50/62/95/1353506295.db2.gz JKZSJQITDXSPMY-TWVNLXSWSA-N 1 3 329.488 2.480 10 0 EEAEHO Cc1ncccc1CN(C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001660414075 1354460796 /nfs/dbraw/zinc/46/07/96/1354460796.db2.gz QHKKTIZLQVMLAG-IBGZPJMESA-N 1 3 346.519 2.449 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCOc1ccccc1 ZINC001662351480 1354785117 /nfs/dbraw/zinc/78/51/17/1354785117.db2.gz WJSUWJJFSCUAEH-IEBWSBKVSA-N 1 3 347.503 2.423 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CCCc3ccsc3)C2)C1 ZINC001662685610 1354825891 /nfs/dbraw/zinc/82/58/91/1354825891.db2.gz MNBQUOFZLQJSIK-SJLPKXTDSA-N 1 3 349.544 2.461 10 0 EEAEHO COc1cc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C)ccc1C ZINC001663995811 1355070523 /nfs/dbraw/zinc/07/05/23/1355070523.db2.gz ORSAJLVMFKQXCZ-SFHVURJKSA-N 1 3 335.492 2.138 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCCOC)CC1 ZINC001664467480 1355171443 /nfs/dbraw/zinc/17/14/43/1355171443.db2.gz MKAAOZCFWATZEE-SJLPKXTDSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1nc(CNCCC2CCN(C(=O)CC[NH+](C)C)CC2)cs1 ZINC001666240425 1355493097 /nfs/dbraw/zinc/49/30/97/1355493097.db2.gz NIGGSPRGLJDRPL-UHFFFAOYSA-N 1 3 338.521 2.122 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001666922068 1355615430 /nfs/dbraw/zinc/61/54/30/1355615430.db2.gz XTSWQCGHNWSIHP-KRWDZBQOSA-N 1 3 331.504 2.458 10 0 EEAEHO CCc1nocc1CNCC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001668107604 1355873564 /nfs/dbraw/zinc/87/35/64/1355873564.db2.gz UVUHLCDDHHCJFL-HNNXBMFYSA-N 1 3 348.491 2.097 10 0 EEAEHO O=C(NC/C=C\CNC/C=C/Cl)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668865550 1356028451 /nfs/dbraw/zinc/02/84/51/1356028451.db2.gz ZVFABVNPJLFELH-NCCCJHIFSA-N 1 3 325.884 2.408 10 0 EEAEHO O=C(NC/C=C\CNC/C=C/Cl)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001668865550 1356028456 /nfs/dbraw/zinc/02/84/56/1356028456.db2.gz ZVFABVNPJLFELH-NCCCJHIFSA-N 1 3 325.884 2.408 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC/C=C\c1ccccc1 ZINC001668978641 1356060167 /nfs/dbraw/zinc/06/01/67/1356060167.db2.gz LJRKYOGXIKWCME-XAHYSCCBSA-N 1 3 327.472 2.446 10 0 EEAEHO CC1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CCCCCF)CC1 ZINC001671360032 1356331953 /nfs/dbraw/zinc/33/19/53/1356331953.db2.gz WXAJDQSQRRZPSE-KRWDZBQOSA-N 1 3 327.488 2.439 10 0 EEAEHO C[C@@]1(C[NH2+]C/C=C\c2ccccc2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001671790365 1356415039 /nfs/dbraw/zinc/41/50/39/1356415039.db2.gz QUVJDGXYEIGRHX-VORVDVFJSA-N 1 3 338.455 2.494 10 0 EEAEHO CC(C)OCCC[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001673904470 1356757846 /nfs/dbraw/zinc/75/78/46/1356757846.db2.gz KJPYPCFTYGJMQI-SJORKVTESA-N 1 3 341.540 2.216 10 0 EEAEHO COc1cc(C[NH2+]C/C=C/CNC(=O)C2(N(C)C)CCC2)ccc1C ZINC001699259582 1405300701 /nfs/dbraw/zinc/30/07/01/1405300701.db2.gz DYXQIGAPESGQID-AATRIKPKSA-N 1 3 345.487 2.250 10 0 EEAEHO C[C@H](CNCc1ccc(Cl)nc1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001699366703 1405342365 /nfs/dbraw/zinc/34/23/65/1405342365.db2.gz SKNBNWYGHORCPX-HIFRSBDPSA-N 1 3 338.883 2.204 10 0 EEAEHO C[C@H](CNCc1ccc(Cl)nc1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001699366703 1405342377 /nfs/dbraw/zinc/34/23/77/1405342377.db2.gz SKNBNWYGHORCPX-HIFRSBDPSA-N 1 3 338.883 2.204 10 0 EEAEHO CC[C@@H](C(=O)N1CCC([N@@H+](CC=C(C)C)CCOC)CC1)N(C)C ZINC001699690027 1405444536 /nfs/dbraw/zinc/44/45/36/1405444536.db2.gz LOZYHCGIEDKESC-SFHVURJKSA-N 1 3 339.524 2.232 10 0 EEAEHO CC[C@@H](C(=O)N1CCC([N@H+](CC=C(C)C)CCOC)CC1)N(C)C ZINC001699690027 1405444539 /nfs/dbraw/zinc/44/45/39/1405444539.db2.gz LOZYHCGIEDKESC-SFHVURJKSA-N 1 3 339.524 2.232 10 0 EEAEHO C[C@H]1C[N@H+](CCSc2ccncc2)CC[C@@H]1N1CCN(C)CC1 ZINC000930135906 770830138 /nfs/dbraw/zinc/83/01/38/770830138.db2.gz HNAFWPBRVRTXPQ-WMZOPIPTSA-N 1 3 334.533 2.132 10 0 EEAEHO C[C@H]1C[N@@H+](CCSc2ccncc2)CC[C@@H]1N1CCN(C)CC1 ZINC000930135906 770830149 /nfs/dbraw/zinc/83/01/49/770830149.db2.gz HNAFWPBRVRTXPQ-WMZOPIPTSA-N 1 3 334.533 2.132 10 0 EEAEHO COC[C@@H](CCC[NH3+])N[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000817924383 785076216 /nfs/dbraw/zinc/07/62/16/785076216.db2.gz WCWBCSSRIMVFPT-IAGOWNOFSA-N 1 3 333.476 2.061 10 0 EEAEHO Cn1cc(N2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)cn1 ZINC000820813072 786465622 /nfs/dbraw/zinc/46/56/22/786465622.db2.gz YGDPHJAJPNKAEY-UNPWZGGWSA-N 1 3 329.492 2.136 10 0 EEAEHO Cn1cc(N2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2)cn1 ZINC000820813072 786465629 /nfs/dbraw/zinc/46/56/29/786465629.db2.gz YGDPHJAJPNKAEY-UNPWZGGWSA-N 1 3 329.492 2.136 10 0 EEAEHO COc1cc(CN(C)C[C@H]2CC3(C[NH2+]C3)CO2)ccc1OC(F)F ZINC000923296750 789329378 /nfs/dbraw/zinc/32/93/78/789329378.db2.gz BWFXGABSIJTFBN-CYBMUJFWSA-N 1 3 342.386 2.107 10 0 EEAEHO CO[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)CC(C)(C)C1 ZINC001436502711 1088032973 /nfs/dbraw/zinc/03/29/73/1088032973.db2.gz YOLSIKYDNREFSS-JKSUJKDBSA-N 1 3 339.524 2.112 10 0 EEAEHO CO[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)CC(C)(C)C1 ZINC001436502711 1088032986 /nfs/dbraw/zinc/03/29/86/1088032986.db2.gz YOLSIKYDNREFSS-JKSUJKDBSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)NCc1cncc(F)c1 ZINC001437258304 1089394684 /nfs/dbraw/zinc/39/46/84/1089394684.db2.gz AIVQKDCGMXAXCL-AWEZNQCLSA-N 1 3 344.434 2.190 10 0 EEAEHO C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)NCc1cncc(F)c1 ZINC001437258307 1089395293 /nfs/dbraw/zinc/39/52/93/1089395293.db2.gz AIVQKDCGMXAXCL-CQSZACIVSA-N 1 3 344.434 2.190 10 0 EEAEHO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001437723950 1090277418 /nfs/dbraw/zinc/27/74/18/1090277418.db2.gz GGSCZDYJXMPCLY-IEBWSBKVSA-N 1 3 329.488 2.275 10 0 EEAEHO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001437723950 1090277423 /nfs/dbraw/zinc/27/74/23/1090277423.db2.gz GGSCZDYJXMPCLY-IEBWSBKVSA-N 1 3 329.488 2.275 10 0 EEAEHO Cc1cnc([C@H](C)NCC2(NC(=O)CCC[NH+](C)C)CCCC2)cn1 ZINC001438405996 1090893120 /nfs/dbraw/zinc/89/31/20/1090893120.db2.gz WFMDHSDENBHISE-INIZCTEOSA-N 1 3 347.507 2.206 10 0 EEAEHO Cc1cncc(CNC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001445400179 1091147755 /nfs/dbraw/zinc/14/77/55/1091147755.db2.gz GNNJXUYTHLKJRV-AEFFLSMTSA-N 1 3 332.492 2.105 10 0 EEAEHO Cc1cncc(CNC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001445400179 1091147760 /nfs/dbraw/zinc/14/77/60/1091147760.db2.gz GNNJXUYTHLKJRV-AEFFLSMTSA-N 1 3 332.492 2.105 10 0 EEAEHO C[C@H](CCN[C@@H](C)c1c(F)cccc1F)NC(=O)CC[NH+](C)C ZINC001439051012 1091697678 /nfs/dbraw/zinc/69/76/78/1091697678.db2.gz ASKWLZBRYPVJID-OLZOCXBDSA-N 1 3 327.419 2.462 10 0 EEAEHO Cc1ncc(CNC[C@@H]2CCCC[C@H]2NC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001439415996 1092184827 /nfs/dbraw/zinc/18/48/27/1092184827.db2.gz FYVSPKDUCOXHSG-DOTOQJQBSA-N 1 3 348.491 2.089 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001439530584 1092384869 /nfs/dbraw/zinc/38/48/69/1092384869.db2.gz BARXAKGVDBECEV-SJORKVTESA-N 1 3 327.488 2.437 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001439530584 1092384879 /nfs/dbraw/zinc/38/48/79/1092384879.db2.gz BARXAKGVDBECEV-SJORKVTESA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1cccnc1CN1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001439698153 1092650962 /nfs/dbraw/zinc/65/09/62/1092650962.db2.gz CUZPKGOIHFYAID-FQEVSTJZSA-N 1 3 344.503 2.156 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2ccc(COC)cc2)C1 ZINC001439857712 1092885228 /nfs/dbraw/zinc/88/52/28/1092885228.db2.gz XGKTYFRIWOQDEY-FQEVSTJZSA-N 1 3 347.503 2.255 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2ccc(COC)cc2)C1 ZINC001439857712 1092885237 /nfs/dbraw/zinc/88/52/37/1092885237.db2.gz XGKTYFRIWOQDEY-FQEVSTJZSA-N 1 3 347.503 2.255 10 0 EEAEHO O=C(CC[NH+]1CCCCC1)NC[C@H]1C[C@@H](NCc2cncc(F)c2)C1 ZINC001440318738 1093453638 /nfs/dbraw/zinc/45/36/38/1093453638.db2.gz KQZMICXKGAHJHQ-RHNCMZPLSA-N 1 3 348.466 2.081 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1N(Cc1ccc(F)cc1)CC2 ZINC001449005266 1094003129 /nfs/dbraw/zinc/00/31/29/1094003129.db2.gz DWWGQRBPTDHBQY-MJGOQNOKSA-N 1 3 333.451 2.391 10 0 EEAEHO C[C@@H]([NH2+]Cc1ccc(CO)cc1)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001440844147 1094101792 /nfs/dbraw/zinc/10/17/92/1094101792.db2.gz VYOFQNPBAIAHPA-CVEARBPZSA-N 1 3 349.519 2.140 10 0 EEAEHO CC(C)N(CC[N@H+](C)CC[C@@H]1CCCCO1)C(=O)[C@@H]1CCCN1C ZINC001449256703 1094205526 /nfs/dbraw/zinc/20/55/26/1094205526.db2.gz GFTXPAJJHBPZEC-ROUUACIJSA-N 1 3 339.524 2.209 10 0 EEAEHO CC(C)N(CC[N@@H+](C)CC[C@@H]1CCCCO1)C(=O)[C@@H]1CCCN1C ZINC001449256703 1094205529 /nfs/dbraw/zinc/20/55/29/1094205529.db2.gz GFTXPAJJHBPZEC-ROUUACIJSA-N 1 3 339.524 2.209 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)C1CC1 ZINC001441291950 1094727007 /nfs/dbraw/zinc/72/70/07/1094727007.db2.gz FQFLPPSGCDMTKL-HXUWFJFHSA-N 1 3 343.515 2.500 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001441322542 1094778324 /nfs/dbraw/zinc/77/83/24/1094778324.db2.gz OWCHYRHUMPKCGM-NNZMDNLPSA-N 1 3 333.520 2.201 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001441322542 1094778331 /nfs/dbraw/zinc/77/83/31/1094778331.db2.gz OWCHYRHUMPKCGM-NNZMDNLPSA-N 1 3 333.520 2.201 10 0 EEAEHO Cc1cccnc1CN[C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001441536161 1095249011 /nfs/dbraw/zinc/24/90/11/1095249011.db2.gz HXYFDADUOIJSLK-KRWDZBQOSA-N 1 3 344.503 2.203 10 0 EEAEHO C[C@@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001441597958 1095439888 /nfs/dbraw/zinc/43/98/88/1095439888.db2.gz MEKVMDZWPWZOBO-IRXDYDNUSA-N 1 3 343.515 2.454 10 0 EEAEHO CCCN(C)CC(=O)NC1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC001441761667 1095758198 /nfs/dbraw/zinc/75/81/98/1095758198.db2.gz UICQHISPIYNDDH-JCYILVPMSA-N 1 3 339.524 2.160 10 0 EEAEHO Cc1conc1CN[C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001441889623 1096025360 /nfs/dbraw/zinc/02/53/60/1096025360.db2.gz ZEVHLXNGZWJGIF-IXDOHACOSA-N 1 3 348.491 2.042 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)C(C)(C)C1 ZINC001441934311 1096124492 /nfs/dbraw/zinc/12/44/92/1096124492.db2.gz OGFDJGICGZXESP-CQSZACIVSA-N 1 3 331.451 2.200 10 0 EEAEHO CC[C@H](C[NH+]1CCC(C2(NC(=O)CN(C)C(C)C)CC2)CC1)OC ZINC001442265891 1096570582 /nfs/dbraw/zinc/57/05/82/1096570582.db2.gz GXCGMCSJPKOBDH-QGZVFWFLSA-N 1 3 339.524 2.112 10 0 EEAEHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1cc(C)ccc1OC ZINC001444031906 1098550809 /nfs/dbraw/zinc/55/08/09/1098550809.db2.gz IVQLDUIKPQXXSK-SJLPKXTDSA-N 1 3 347.503 2.330 10 0 EEAEHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1cc(C)ccc1OC ZINC001444031906 1098550812 /nfs/dbraw/zinc/55/08/12/1098550812.db2.gz IVQLDUIKPQXXSK-SJLPKXTDSA-N 1 3 347.503 2.330 10 0 EEAEHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1cc(F)cc(F)c1 ZINC001444039728 1098560980 /nfs/dbraw/zinc/56/09/80/1098560980.db2.gz PZEQXTMWQGUQTI-CXAGYDPISA-N 1 3 339.430 2.291 10 0 EEAEHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1cc(F)cc(F)c1 ZINC001444039728 1098560984 /nfs/dbraw/zinc/56/09/84/1098560984.db2.gz PZEQXTMWQGUQTI-CXAGYDPISA-N 1 3 339.430 2.291 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc2ncccc2c1 ZINC001480536341 1100365063 /nfs/dbraw/zinc/36/50/63/1100365063.db2.gz FNHXKYTVEZITPD-JKSUJKDBSA-N 1 3 340.471 2.171 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@H](CNCc1ccns1)C1CCCCC1 ZINC001496321768 1100916333 /nfs/dbraw/zinc/91/63/33/1100916333.db2.gz XGMNJIVCCGVNQY-MRXNPFEDSA-N 1 3 338.521 2.250 10 0 EEAEHO COCCCC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001496358213 1100951438 /nfs/dbraw/zinc/95/14/38/1100951438.db2.gz OOVAILCJSISZKD-IRXDYDNUSA-N 1 3 341.540 2.218 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CNCc2ccccn2)C2CCCC2)C1 ZINC001446504497 1100953794 /nfs/dbraw/zinc/95/37/94/1100953794.db2.gz XUHMYVGMCNDDAZ-QFBILLFUSA-N 1 3 344.503 2.188 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CNCc2ccccn2)C2CCCC2)C1 ZINC001446504497 1100953800 /nfs/dbraw/zinc/95/38/00/1100953800.db2.gz XUHMYVGMCNDDAZ-QFBILLFUSA-N 1 3 344.503 2.188 10 0 EEAEHO CC(C)N(C)CC(=O)NCc1ccc(C[NH2+]C[C@@H]2CCCCO2)cc1 ZINC001495506995 1101220558 /nfs/dbraw/zinc/22/05/58/1101220558.db2.gz ATXPURHMPIXNNX-IBGZPJMESA-N 1 3 347.503 2.302 10 0 EEAEHO Cc1cc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)sn1 ZINC001495669401 1101411136 /nfs/dbraw/zinc/41/11/36/1101411136.db2.gz WLHSETACUFOHRZ-BBRMVZONSA-N 1 3 338.521 2.166 10 0 EEAEHO CN(CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCC(F)(F)F)C1CCC1 ZINC001496886058 1101666755 /nfs/dbraw/zinc/66/67/55/1101666755.db2.gz DMGSTMDYOOLQAN-TZMCWYRMSA-N 1 3 335.414 2.298 10 0 EEAEHO Cc1ncoc1CNCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001497219442 1102143648 /nfs/dbraw/zinc/14/36/48/1102143648.db2.gz AVNGNYRYDNMTIU-ZBFHGGJFSA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1ncoc1CNCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001497219442 1102143655 /nfs/dbraw/zinc/14/36/55/1102143655.db2.gz AVNGNYRYDNMTIU-ZBFHGGJFSA-N 1 3 336.480 2.088 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C)C[NH2+]C[C@@H]1CCc2ccccc2C1)N(C)C ZINC001497835497 1103167163 /nfs/dbraw/zinc/16/71/63/1103167163.db2.gz BMKJUMVODDFDAI-GPMSIDNRSA-N 1 3 331.504 2.226 10 0 EEAEHO C[C@H](CN[C@H]1CCc2c1c(F)ccc2F)NC(=O)CCC[NH+](C)C ZINC001497895316 1103274491 /nfs/dbraw/zinc/27/44/91/1103274491.db2.gz OSPAGFCTZKPSQU-WBMJQRKESA-N 1 3 339.430 2.388 10 0 EEAEHO Cc1nc(CNCC2CC(NC(=O)CCC[NH+](C)C)C2)sc1C ZINC001447805690 1103367467 /nfs/dbraw/zinc/36/74/67/1103367467.db2.gz PYAFDTUWVSYEAW-UHFFFAOYSA-N 1 3 338.521 2.086 10 0 EEAEHO C[N@H+](CCCCC(F)(F)F)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001494162670 1103626624 /nfs/dbraw/zinc/62/66/24/1103626624.db2.gz VSKVJKADDWYWKC-CYBMUJFWSA-N 1 3 346.397 2.465 10 0 EEAEHO C[N@@H+](CCCCC(F)(F)F)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001494162670 1103626631 /nfs/dbraw/zinc/62/66/31/1103626631.db2.gz VSKVJKADDWYWKC-CYBMUJFWSA-N 1 3 346.397 2.465 10 0 EEAEHO C[C@H](C(=O)NC1(C[NH2+]C[C@H](C)O)CCCCC1)N1CCCCCC1 ZINC001448224537 1104210853 /nfs/dbraw/zinc/21/08/53/1104210853.db2.gz KKHYJJDXKIBNOU-DLBZAZTESA-N 1 3 339.524 2.040 10 0 EEAEHO C[C@@H](NC(=O)CN1CC[C@H](C)C1)C1C[NH+](CCc2ccccc2)C1 ZINC001448322929 1104391850 /nfs/dbraw/zinc/39/18/50/1104391850.db2.gz TUTVNZNDARKITN-DLBZAZTESA-N 1 3 329.488 2.007 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]CC1CC(F)(F)C1 ZINC001494985980 1104630317 /nfs/dbraw/zinc/63/03/17/1104630317.db2.gz CMJHSIWIOIVGNI-HUUCEWRRSA-N 1 3 331.451 2.391 10 0 EEAEHO Cc1noc(C)c1C[NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001498613310 1107810489 /nfs/dbraw/zinc/81/04/89/1107810489.db2.gz PZKAZGJAKGXRAW-UHFFFAOYSA-N 1 3 338.496 2.207 10 0 EEAEHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]C/C=C\Cl)C1)N1CCCC1 ZINC001479470373 1110698825 /nfs/dbraw/zinc/69/88/25/1110698825.db2.gz PSLJQDOJIFVZPI-DNWYELSFSA-N 1 3 327.900 2.488 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC001499955546 1112554844 /nfs/dbraw/zinc/55/48/44/1112554844.db2.gz UBDWTIDOXZBOTI-HNNXBMFYSA-N 1 3 338.883 2.156 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2c3ccccc3CCN2CC2CC2)C1 ZINC001503690116 1113898779 /nfs/dbraw/zinc/89/87/79/1113898779.db2.gz FCHSLNUZPDLCKV-PXNSSMCTSA-N 1 3 341.499 2.454 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2c3ccccc3CCN2CC2CC2)C1 ZINC001503690116 1113898781 /nfs/dbraw/zinc/89/87/81/1113898781.db2.gz FCHSLNUZPDLCKV-PXNSSMCTSA-N 1 3 341.499 2.454 10 0 EEAEHO C[C@H]1C[C@H](NCc2sccc2Cl)CN1C(=O)CC[NH+](C)C ZINC001507320604 1115191245 /nfs/dbraw/zinc/19/12/45/1115191245.db2.gz NNTIKUKDQWTMAJ-RYUDHWBXSA-N 1 3 329.897 2.432 10 0 EEAEHO CCOCCN1CC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001567944057 1124198430 /nfs/dbraw/zinc/19/84/30/1124198430.db2.gz LRXKLJLSPILZFI-GOSISDBHSA-N 1 3 339.524 2.066 10 0 EEAEHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCCc1ccccc1 ZINC001568366468 1124439757 /nfs/dbraw/zinc/43/97/57/1124439757.db2.gz XVNKODZCQRHJMS-VQIMIIECSA-N 1 3 340.471 2.412 10 0 EEAEHO CCN(CC[NH2+]Cc1ccnc(Cl)c1)C(=O)CN(C)C1CCC1 ZINC001568749182 1124763826 /nfs/dbraw/zinc/76/38/26/1124763826.db2.gz WILCZTLYDUKTNP-UHFFFAOYSA-N 1 3 338.883 2.157 10 0 EEAEHO C[NH+](C)CC1(C(=O)N[C@H](CNCC=C(Cl)Cl)C2CC2)CC1 ZINC001569315978 1125225043 /nfs/dbraw/zinc/22/50/43/1125225043.db2.gz CQFFLFIFULFMJH-GFCCVEGCSA-N 1 3 334.291 2.132 10 0 EEAEHO CC(C)=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001565883413 1125449626 /nfs/dbraw/zinc/44/96/26/1125449626.db2.gz KHMOFEFWEGJYCR-RBUKOAKNSA-N 1 3 329.488 2.489 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)[C@H]1c1ccccc1 ZINC000247986266 283123612 /nfs/dbraw/zinc/12/36/12/283123612.db2.gz IGVQUZSJUGVMAJ-CEXWTWQISA-N 1 3 342.487 2.312 10 0 EEAEHO CCO[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)[C@H](C)N)[C@H]1n1cccn1 ZINC000423146034 240383326 /nfs/dbraw/zinc/38/33/26/240383326.db2.gz NOVJWLXXYSLHKE-IKLKHMQRSA-N 1 3 328.460 2.150 10 0 EEAEHO CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000425365433 241139800 /nfs/dbraw/zinc/13/98/00/241139800.db2.gz YIHBLBSYKHEKNW-MSOLQXFVSA-N 1 3 347.528 2.496 10 0 EEAEHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000246419513 243250209 /nfs/dbraw/zinc/25/02/09/243250209.db2.gz VMPUCLRSGPHBTH-BHIYHBOVSA-N 1 3 346.519 2.141 10 0 EEAEHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000246419513 243250213 /nfs/dbraw/zinc/25/02/13/243250213.db2.gz VMPUCLRSGPHBTH-BHIYHBOVSA-N 1 3 346.519 2.141 10 0 EEAEHO CCNCc1cc(Br)cnc1N1CCC([NH+](C)C)CC1 ZINC000051444846 132181372 /nfs/dbraw/zinc/18/13/72/132181372.db2.gz SMEWUWCGHVVAGV-UHFFFAOYSA-N 1 3 341.297 2.484 10 0 EEAEHO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN2CCC[C@H]2C1 ZINC000249830245 160386061 /nfs/dbraw/zinc/38/60/61/160386061.db2.gz NSTSCAKWDRMEIT-OALUTQOASA-N 1 3 327.472 2.205 10 0 EEAEHO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN2CCC[C@H]2C1 ZINC000249830245 160386063 /nfs/dbraw/zinc/38/60/63/160386063.db2.gz NSTSCAKWDRMEIT-OALUTQOASA-N 1 3 327.472 2.205 10 0 EEAEHO CN1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1=O ZINC000248403860 160344265 /nfs/dbraw/zinc/34/42/65/160344265.db2.gz PGTCIPYPQLJCQV-YSTOQKLRSA-N 1 3 341.499 2.498 10 0 EEAEHO CN1C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1=O ZINC000248403860 160344266 /nfs/dbraw/zinc/34/42/66/160344266.db2.gz PGTCIPYPQLJCQV-YSTOQKLRSA-N 1 3 341.499 2.498 10 0 EEAEHO CN1C[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1=O ZINC000248403860 160344267 /nfs/dbraw/zinc/34/42/67/160344267.db2.gz PGTCIPYPQLJCQV-YSTOQKLRSA-N 1 3 341.499 2.498 10 0 EEAEHO COc1cccc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)c1OC ZINC000121121942 274145328 /nfs/dbraw/zinc/14/53/28/274145328.db2.gz GDNIXVJFWUFMDD-HNNXBMFYSA-N 1 3 336.476 2.228 10 0 EEAEHO C[C@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000288233125 275037407 /nfs/dbraw/zinc/03/74/07/275037407.db2.gz SRBOGOPDTNIZIY-QXAKKESOSA-N 1 3 342.487 2.334 10 0 EEAEHO c1nc2n(n1)C[C@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000249036272 275076443 /nfs/dbraw/zinc/07/64/43/275076443.db2.gz SRWATTIZCCMJCQ-MKXGPGLRSA-N 1 3 337.471 2.378 10 0 EEAEHO c1nc2n(n1)C[C@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000249036272 275076444 /nfs/dbraw/zinc/07/64/44/275076444.db2.gz SRWATTIZCCMJCQ-MKXGPGLRSA-N 1 3 337.471 2.378 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000416838827 313330474 /nfs/dbraw/zinc/33/04/74/313330474.db2.gz JGSYEJFPUWKDNT-BPQIPLTHSA-N 1 3 332.492 2.367 10 0 EEAEHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000417224768 313455922 /nfs/dbraw/zinc/45/59/22/313455922.db2.gz WDJOMIGTVMTKEH-MCIONIFRSA-N 1 3 346.466 2.039 10 0 EEAEHO C[C@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[C@@H](c1ccccc1)N(C)C ZINC000418180777 313738415 /nfs/dbraw/zinc/73/84/15/313738415.db2.gz KTBBKCOAOFWMFQ-WBAXXEDZSA-N 1 3 330.476 2.214 10 0 EEAEHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@@H](O)CC1(O)CCC1 ZINC000528450212 317389983 /nfs/dbraw/zinc/38/99/83/317389983.db2.gz NLCKOWLOVDXGDK-LMMKCTJWSA-N 1 3 346.515 2.399 10 0 EEAEHO C[C@H](NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000564823197 319114066 /nfs/dbraw/zinc/11/40/66/319114066.db2.gz DIEMHOFXELWEGT-DFQSSKMNSA-N 1 3 331.504 2.255 10 0 EEAEHO C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[C@@H](c1ccccc1)N(C)C ZINC000574786975 320058060 /nfs/dbraw/zinc/05/80/60/320058060.db2.gz HHWXRAPPWWDFLR-QRFRQXIXSA-N 1 3 344.503 2.463 10 0 EEAEHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000119782685 462926848 /nfs/dbraw/zinc/92/68/48/462926848.db2.gz MZQCAEZQLONDID-KRWDZBQOSA-N 1 3 347.503 2.335 10 0 EEAEHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000119782685 462926854 /nfs/dbraw/zinc/92/68/54/462926854.db2.gz MZQCAEZQLONDID-KRWDZBQOSA-N 1 3 347.503 2.335 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093066291 463006504 /nfs/dbraw/zinc/00/65/04/463006504.db2.gz RPZGHPBAOSTOCB-SFHVURJKSA-N 1 3 330.476 2.289 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000186814301 464068659 /nfs/dbraw/zinc/06/86/59/464068659.db2.gz KXSDYMUYUMMPEH-QGPMSJSTSA-N 1 3 333.451 2.152 10 0 EEAEHO Cc1ccncc1C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000280906854 464271588 /nfs/dbraw/zinc/27/15/88/464271588.db2.gz OTIWHBOUTUDAFK-UHFFFAOYSA-N 1 3 325.460 2.087 10 0 EEAEHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000245399064 464475629 /nfs/dbraw/zinc/47/56/29/464475629.db2.gz VMCZCWPPLTVSLI-SJLPKXTDSA-N 1 3 334.508 2.189 10 0 EEAEHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000245399064 464475633 /nfs/dbraw/zinc/47/56/33/464475633.db2.gz VMCZCWPPLTVSLI-SJLPKXTDSA-N 1 3 334.508 2.189 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000246489916 464591404 /nfs/dbraw/zinc/59/14/04/464591404.db2.gz RQGJJWCWCOTGAT-FJIDUMEYSA-N 1 3 338.540 2.479 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000246489916 464591410 /nfs/dbraw/zinc/59/14/10/464591410.db2.gz RQGJJWCWCOTGAT-FJIDUMEYSA-N 1 3 338.540 2.479 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000246575451 464601917 /nfs/dbraw/zinc/60/19/17/464601917.db2.gz SUHRMFWKAKOMIF-BHIYHBOVSA-N 1 3 344.503 2.385 10 0 EEAEHO C[N@@H+]1CC[C@H](NC[C@@H]2CN(Cc3ccccc3)CCO2)[C@@H]2CCC[C@@H]21 ZINC000353444900 465888690 /nfs/dbraw/zinc/88/86/90/465888690.db2.gz GVFIADXWCGEJPV-ANULTFPQSA-N 1 3 343.515 2.350 10 0 EEAEHO C[N@H+]1CC[C@H](NC[C@@H]2CN(Cc3ccccc3)CCO2)[C@@H]2CCC[C@@H]21 ZINC000353444900 465888692 /nfs/dbraw/zinc/88/86/92/465888692.db2.gz GVFIADXWCGEJPV-ANULTFPQSA-N 1 3 343.515 2.350 10 0 EEAEHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCN1CCCOCC1 ZINC000361336646 465917278 /nfs/dbraw/zinc/91/72/78/465917278.db2.gz RCGIVRRYINFZSK-AZUAARDMSA-N 1 3 331.504 2.209 10 0 EEAEHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCN1CCCOCC1 ZINC000361336646 465917286 /nfs/dbraw/zinc/91/72/86/465917286.db2.gz RCGIVRRYINFZSK-AZUAARDMSA-N 1 3 331.504 2.209 10 0 EEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358224159 466552635 /nfs/dbraw/zinc/55/26/35/466552635.db2.gz AIZWGEWXAWPZPN-INIZCTEOSA-N 1 3 326.529 2.384 10 0 EEAEHO CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423290747 466709971 /nfs/dbraw/zinc/70/99/71/466709971.db2.gz FHOLUCJTMOBYNB-ZIAGYGMSSA-N 1 3 347.484 2.465 10 0 EEAEHO C[C@@H](N[C@H]1CNCCC1(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000423471739 466754158 /nfs/dbraw/zinc/75/41/58/466754158.db2.gz HTMWUCGYJCKAOH-CJNGLKHVSA-N 1 3 327.419 2.275 10 0 EEAEHO c1ccc(CCOC2CC[NH+](C[C@@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000662252035 472042812 /nfs/dbraw/zinc/04/28/12/472042812.db2.gz HZYWZYMYHRVBQO-IBGZPJMESA-N 1 3 330.472 2.231 10 0 EEAEHO COc1cccc(CN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]2CCCO2)c1 ZINC000662252998 472042966 /nfs/dbraw/zinc/04/29/66/472042966.db2.gz FSWJQUSFRXKFDG-RBUKOAKNSA-N 1 3 346.471 2.197 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N2CCN3CCC2CC3)CN1Cc1ccccc1 ZINC000376918265 466965546 /nfs/dbraw/zinc/96/55/46/466965546.db2.gz NOKDUPPFZWVAQT-SJLPKXTDSA-N 1 3 342.487 2.139 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N2CCN3CCC2CC3)C[N@@H+]1Cc1ccccc1 ZINC000376918265 466965551 /nfs/dbraw/zinc/96/55/51/466965551.db2.gz NOKDUPPFZWVAQT-SJLPKXTDSA-N 1 3 342.487 2.139 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N2CCN3CCC2CC3)C[N@H+]1Cc1ccccc1 ZINC000376918265 466965554 /nfs/dbraw/zinc/96/55/54/466965554.db2.gz NOKDUPPFZWVAQT-SJLPKXTDSA-N 1 3 342.487 2.139 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000417916424 466984555 /nfs/dbraw/zinc/98/45/55/466984555.db2.gz VZKPHXZJMQNGGW-FUHWJXTLSA-N 1 3 332.492 2.354 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000417916424 466984557 /nfs/dbraw/zinc/98/45/57/466984557.db2.gz VZKPHXZJMQNGGW-FUHWJXTLSA-N 1 3 332.492 2.354 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418005218 467019192 /nfs/dbraw/zinc/01/91/92/467019192.db2.gz DFYXXNKBJBLCEL-LZQZEXGQSA-N 1 3 342.487 2.043 10 0 EEAEHO C[C@@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1cccc(OCCN(C)C)c1 ZINC000424323054 467029369 /nfs/dbraw/zinc/02/93/69/467029369.db2.gz KJKVKCMGZOXIKD-CVEARBPZSA-N 1 3 333.476 2.146 10 0 EEAEHO COc1cc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc2c1OCCO2 ZINC000424373795 467034944 /nfs/dbraw/zinc/03/49/44/467034944.db2.gz HESJOEOGROPLID-AWEZNQCLSA-N 1 3 332.444 2.430 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCN1Cc1ccccc1 ZINC000418196570 467073038 /nfs/dbraw/zinc/07/30/38/467073038.db2.gz RIJMQSNCFSLXBX-LULLPPNCSA-N 1 3 342.487 2.043 10 0 EEAEHO NC1(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)Cc2ccccc2C1 ZINC000378212055 467230562 /nfs/dbraw/zinc/23/05/62/467230562.db2.gz TVMOGOPOVVJKSK-UHFFFAOYSA-N 1 3 349.478 2.395 10 0 EEAEHO C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000433933851 467365193 /nfs/dbraw/zinc/36/51/93/467365193.db2.gz VKFJIEGFPGJSKK-LEOMRAHMSA-N 1 3 336.524 2.423 10 0 EEAEHO O[C@@H](CNC[C@@H]1CCCCN1Cc1ccccc1)C[NH+]1CCCC1 ZINC000379651465 467369136 /nfs/dbraw/zinc/36/91/36/467369136.db2.gz UNSUOZQXYMQTHO-PMACEKPBSA-N 1 3 331.504 2.087 10 0 EEAEHO COc1ccc([C@H](C[NH3+])CN2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000420372715 467382628 /nfs/dbraw/zinc/38/26/28/467382628.db2.gz LUUSBTCHLLMWQA-HZPDHXFCSA-N 1 3 342.443 2.487 10 0 EEAEHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000420372715 467382630 /nfs/dbraw/zinc/38/26/30/467382630.db2.gz LUUSBTCHLLMWQA-HZPDHXFCSA-N 1 3 342.443 2.487 10 0 EEAEHO COc1ccc([C@H](CN)C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000420372715 467382634 /nfs/dbraw/zinc/38/26/34/467382634.db2.gz LUUSBTCHLLMWQA-HZPDHXFCSA-N 1 3 342.443 2.487 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)Nc2ccc(OCCN(C)C)c(F)c2)CC[N@@H+]1C ZINC000458296943 467805492 /nfs/dbraw/zinc/80/54/92/467805492.db2.gz RAYYJVVEMXVKJM-KBPBESRZSA-N 1 3 337.439 2.435 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)Nc2ccc(OCCN(C)C)c(F)c2)CC[N@H+]1C ZINC000458296943 467805496 /nfs/dbraw/zinc/80/54/96/467805496.db2.gz RAYYJVVEMXVKJM-KBPBESRZSA-N 1 3 337.439 2.435 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000557635325 468643059 /nfs/dbraw/zinc/64/30/59/468643059.db2.gz YOWQEGIIJIHFEF-LMMKCTJWSA-N 1 3 329.488 2.498 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000557635325 468643063 /nfs/dbraw/zinc/64/30/63/468643063.db2.gz YOWQEGIIJIHFEF-LMMKCTJWSA-N 1 3 329.488 2.498 10 0 EEAEHO C[C@@H](NCCc1ccc(I)cc1)C1C[NH2+]C1 ZINC000596655373 469323982 /nfs/dbraw/zinc/32/39/82/469323982.db2.gz WAQIRKVBUYFJHR-SNVBAGLBSA-N 1 3 330.213 2.031 10 0 EEAEHO C[C@@H]([NH2+]CCc1ccc(I)cc1)C1CNC1 ZINC000596655373 469323985 /nfs/dbraw/zinc/32/39/85/469323985.db2.gz WAQIRKVBUYFJHR-SNVBAGLBSA-N 1 3 330.213 2.031 10 0 EEAEHO CC(C)c1nc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cs1 ZINC000617504652 469703925 /nfs/dbraw/zinc/70/39/25/469703925.db2.gz DFBGXGXHSJJZMB-ZDUSSCGKSA-N 1 3 326.510 2.268 10 0 EEAEHO CC(C)c1nc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cs1 ZINC000617504652 469703926 /nfs/dbraw/zinc/70/39/26/469703926.db2.gz DFBGXGXHSJJZMB-ZDUSSCGKSA-N 1 3 326.510 2.268 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCc1ccc(F)cc1F ZINC000617506801 469706816 /nfs/dbraw/zinc/70/68/16/469706816.db2.gz ZOAPBNWPIDGLDP-AWEZNQCLSA-N 1 3 341.446 2.286 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCc1ccc(F)cc1F ZINC000617506801 469706821 /nfs/dbraw/zinc/70/68/21/469706821.db2.gz ZOAPBNWPIDGLDP-AWEZNQCLSA-N 1 3 341.446 2.286 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)C[NH2+]1 ZINC000626922494 469755603 /nfs/dbraw/zinc/75/56/03/469755603.db2.gz ZKFYMUTYEGQHOE-QLFBSQMISA-N 1 3 336.505 2.325 10 0 EEAEHO CCN(C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000627206280 469844594 /nfs/dbraw/zinc/84/45/94/469844594.db2.gz YCMHKSGKVVGMCY-QXAKKESOSA-N 1 3 344.503 2.433 10 0 EEAEHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000620909783 469946900 /nfs/dbraw/zinc/94/69/00/469946900.db2.gz KJBNVTMRBYOXST-CVEARBPZSA-N 1 3 339.524 2.255 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)c1csc(C(F)(F)F)c1 ZINC000625287823 470112753 /nfs/dbraw/zinc/11/27/53/470112753.db2.gz MZSGOZDMOVJBFM-UHFFFAOYSA-N 1 3 337.411 2.332 10 0 EEAEHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000646190131 470559277 /nfs/dbraw/zinc/55/92/77/470559277.db2.gz VGQFRJKJVVOKFX-JFIYKMOQSA-N 1 3 330.476 2.127 10 0 EEAEHO COc1cc2c(c(CN[C@@H](C)CN(C)CCC[NH+](C)C)c1)O[C@@H](C)C2 ZINC000657573048 471172187 /nfs/dbraw/zinc/17/21/87/471172187.db2.gz IPAXNWJHHUFWMK-HOTGVXAUSA-N 1 3 349.519 2.380 10 0 EEAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000648482674 471217442 /nfs/dbraw/zinc/21/74/42/471217442.db2.gz FSWBEYRFACPEON-WFXMLNOXSA-N 1 3 345.531 2.391 10 0 EEAEHO [NH3+]CC1(CCNC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000652141064 471243495 /nfs/dbraw/zinc/24/34/95/471243495.db2.gz DVAJBMDQOKBHFB-GOSISDBHSA-N 1 3 344.503 2.327 10 0 EEAEHO CN1CC[C@H](NC(=O)NCCC2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000652174447 471250031 /nfs/dbraw/zinc/25/00/31/471250031.db2.gz UNWWGWTYPOJCCR-ROUUACIJSA-N 1 3 330.476 2.121 10 0 EEAEHO c1cc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)n(-c2ccncc2)n1 ZINC000663343758 471333985 /nfs/dbraw/zinc/33/39/85/471333985.db2.gz DSDOIBMPPPLNNV-KRWDZBQOSA-N 1 3 325.460 2.479 10 0 EEAEHO c1cc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)n(-c2ccncc2)n1 ZINC000663343758 471333989 /nfs/dbraw/zinc/33/39/89/471333989.db2.gz DSDOIBMPPPLNNV-KRWDZBQOSA-N 1 3 325.460 2.479 10 0 EEAEHO CN(C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000655467011 471338494 /nfs/dbraw/zinc/33/84/94/471338494.db2.gz CBTKCPGKHOCAHR-CMKODMSKSA-N 1 3 327.472 2.109 10 0 EEAEHO CC1CC[NH+](CCNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659030034 471473482 /nfs/dbraw/zinc/47/34/82/471473482.db2.gz FVQDLXAIJRSQHS-GOSISDBHSA-N 1 3 346.475 2.201 10 0 EEAEHO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659044476 471485190 /nfs/dbraw/zinc/48/51/90/471485190.db2.gz UZZVADUXXZRAJF-MSOLQXFVSA-N 1 3 346.475 2.296 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)N(C)C)cc1 ZINC000653106055 471488532 /nfs/dbraw/zinc/48/85/32/471488532.db2.gz REYFMSXRHXDBJC-OTWHNJEPSA-N 1 3 329.488 2.499 10 0 EEAEHO Cc1noc(C2CC2)c1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666701390 471500411 /nfs/dbraw/zinc/50/04/11/471500411.db2.gz WUWLNQCPCRNKNI-LBPRGKRZSA-N 1 3 337.468 2.254 10 0 EEAEHO Cc1noc(C2CC2)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666701390 471500416 /nfs/dbraw/zinc/50/04/16/471500416.db2.gz WUWLNQCPCRNKNI-LBPRGKRZSA-N 1 3 337.468 2.254 10 0 EEAEHO C[C@@H](Cc1ccsc1)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663772130 471510520 /nfs/dbraw/zinc/51/05/20/471510520.db2.gz DIXQXIQGPPHQBD-GJZGRUSLSA-N 1 3 340.537 2.250 10 0 EEAEHO C[C@@H](Cc1ccsc1)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663772130 471510525 /nfs/dbraw/zinc/51/05/25/471510525.db2.gz DIXQXIQGPPHQBD-GJZGRUSLSA-N 1 3 340.537 2.250 10 0 EEAEHO C[C@@]1(CNC(=O)NCC[NH2+]C2CC2)CCCN1Cc1ccccc1 ZINC000669565907 471560269 /nfs/dbraw/zinc/56/02/69/471560269.db2.gz WYTUWISBWCZOIE-IBGZPJMESA-N 1 3 330.476 2.092 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000659431907 471623945 /nfs/dbraw/zinc/62/39/45/471623945.db2.gz RZZZZZRUHMMYFZ-LJQANCHMSA-N 1 3 346.519 2.366 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000659624270 471702897 /nfs/dbraw/zinc/70/28/97/471702897.db2.gz LRUYXMJUODSXLC-QGZVFWFLSA-N 1 3 336.480 2.259 10 0 EEAEHO C[C@H](CN1CCC[C@@](O)(C2CC2)C1)C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661627978 471831254 /nfs/dbraw/zinc/83/12/54/471831254.db2.gz SHKDKFVUEMHAOS-PDFPEKILSA-N 1 3 336.520 2.096 10 0 EEAEHO C[C@H](CN1CCC[C@@](O)(C2CC2)C1)C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661627978 471831261 /nfs/dbraw/zinc/83/12/61/471831261.db2.gz SHKDKFVUEMHAOS-PDFPEKILSA-N 1 3 336.520 2.096 10 0 EEAEHO C[C@@H](CN1CCC[C@](O)(C2CC2)C1)C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661627978 471831267 /nfs/dbraw/zinc/83/12/67/471831267.db2.gz SHKDKFVUEMHAOS-PDFPEKILSA-N 1 3 336.520 2.096 10 0 EEAEHO C[C@@H](CN1CCC[C@](O)(C2CC2)C1)C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661627978 471831273 /nfs/dbraw/zinc/83/12/73/471831273.db2.gz SHKDKFVUEMHAOS-PDFPEKILSA-N 1 3 336.520 2.096 10 0 EEAEHO C[NH2+]CCCC(=O)N1CCC(N[C@H](C)c2nc(C)sc2C)CC1 ZINC000665287167 471990005 /nfs/dbraw/zinc/99/00/05/471990005.db2.gz DHMJAQLJLNCOCX-GFCCVEGCSA-N 1 3 338.521 2.401 10 0 EEAEHO CC(C)(C)N1CC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000665556824 472093494 /nfs/dbraw/zinc/09/34/94/472093494.db2.gz FHUDEZYWTSZTEC-KRWDZBQOSA-N 1 3 336.524 2.377 10 0 EEAEHO COc1ccc2c(c1)CCN2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665639985 472120468 /nfs/dbraw/zinc/12/04/68/472120468.db2.gz KMXABSNMYLJLFY-HNNXBMFYSA-N 1 3 348.491 2.039 10 0 EEAEHO COc1ccc2c(c1)CCN2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665639985 472120472 /nfs/dbraw/zinc/12/04/72/472120472.db2.gz KMXABSNMYLJLFY-HNNXBMFYSA-N 1 3 348.491 2.039 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)CC(C)(C)C1 ZINC000665760276 472176062 /nfs/dbraw/zinc/17/60/62/472176062.db2.gz DWXFLDOZUOTJQT-CVEARBPZSA-N 1 3 326.529 2.336 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)CC(C)(C)C1 ZINC000665760276 472176069 /nfs/dbraw/zinc/17/60/69/472176069.db2.gz DWXFLDOZUOTJQT-CVEARBPZSA-N 1 3 326.529 2.336 10 0 EEAEHO CN1CCC(N2CC[C@H]([NH2+]C3CC(OCc4ccccc4)C3)C2)CC1 ZINC000683815323 485649217 /nfs/dbraw/zinc/64/92/17/485649217.db2.gz BDACSOVOWIUVHF-JSOIOWGOSA-N 1 3 343.515 2.492 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCC3(F)F)CC2)CC1 ZINC000672795598 486199915 /nfs/dbraw/zinc/19/99/15/486199915.db2.gz UFIJRXKVKMQVIV-OAHLLOKOSA-N 1 3 344.450 2.032 10 0 EEAEHO CCN1CCC[C@H]1CNC(=S)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000730736512 577052657 /nfs/dbraw/zinc/05/26/57/577052657.db2.gz UQHSPFKZDUKFPX-IRXDYDNUSA-N 1 3 338.565 2.296 10 0 EEAEHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC000924963876 682036287 /nfs/dbraw/zinc/03/62/87/682036287.db2.gz HDWHNXIPMQQOKL-WMZOPIPTSA-N 1 3 330.476 2.100 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCCCF)C[C@H]21 ZINC001485601573 1191856846 /nfs/dbraw/zinc/85/68/46/1191856846.db2.gz OVFVHNQBMZMNBR-FJIDUMEYSA-N 1 3 339.499 2.293 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCCCF)C[C@H]21 ZINC001485601573 1191856849 /nfs/dbraw/zinc/85/68/49/1191856849.db2.gz OVFVHNQBMZMNBR-FJIDUMEYSA-N 1 3 339.499 2.293 10 0 EEAEHO C[C@H](CCC[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@H]1CCCN1C ZINC001485732436 1191922166 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Cc1cc(CN2CCC[C@@H]2CCCNC(=O)C2CC[NH+](C)CC2)on1 ZINC001267175490 1178414862 /nfs/dbraw/zinc/41/48/62/1178414862.db2.gz VPVRKYBPTABTGS-KRWDZBQOSA-N 1 3 348.491 2.186 10 0 EEAEHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCN(C)Cc1ccc2c(c1)COC2 ZINC001480951305 1179118332 /nfs/dbraw/zinc/11/83/32/1179118332.db2.gz WECGGIDDHFYFRM-HZPDHXFCSA-N 1 3 345.487 2.138 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1cnc(Cl)s1)NC(=O)CN(C)C1CCC1 ZINC001268374817 1182384207 /nfs/dbraw/zinc/38/42/07/1182384207.db2.gz XIVDGYPQEANVCN-NSHDSACASA-N 1 3 344.912 2.265 10 0 EEAEHO Cc1nocc1C[NH2+]CC[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001269765832 1184602831 /nfs/dbraw/zinc/60/28/31/1184602831.db2.gz LSLWRKJHZWKIOV-WBVHZDCISA-N 1 3 348.491 2.043 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCOC1CCC1 ZINC001271495912 1186275441 /nfs/dbraw/zinc/27/54/41/1186275441.db2.gz ZQPSOOTYVNHZDJ-FUHWJXTLSA-N 1 3 337.508 2.011 10 0 EEAEHO COc1cccc([C@@H](C)N(C)CCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001482628195 1187453563 /nfs/dbraw/zinc/45/35/63/1187453563.db2.gz HZGGWBGGPQRYKM-IAGOWNOFSA-N 1 3 347.503 2.488 10 0 EEAEHO COc1cccc([C@@H](C)N(C)CCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001482628195 1187453564 /nfs/dbraw/zinc/45/35/64/1187453564.db2.gz HZGGWBGGPQRYKM-IAGOWNOFSA-N 1 3 347.503 2.488 10 0 EEAEHO C[C@@H](CC[NH2+]CC1CCC1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001482875530 1187794874 /nfs/dbraw/zinc/79/48/74/1187794874.db2.gz USAMOQZANVIQML-KBXCAEBGSA-N 1 3 327.488 2.483 10 0 EEAEHO C[C@@H](CC[NH2+]CC1CCC1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001482875532 1187795001 /nfs/dbraw/zinc/79/50/01/1187795001.db2.gz USAMOQZANVIQML-KSSFIOAISA-N 1 3 327.488 2.483 10 0 EEAEHO Cc1nc(C)c(CNCC[C@@H](C)NC(=O)CC[NH+]2CCCCC2)o1 ZINC001482903013 1187828847 /nfs/dbraw/zinc/82/88/47/1187828847.db2.gz VZZQYSBEPFZOLK-CQSZACIVSA-N 1 3 336.480 2.152 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc(Cl)n1 ZINC000841848559 1187993786 /nfs/dbraw/zinc/99/37/86/1187993786.db2.gz MCQKCDAMMXFBIE-GJZGRUSLSA-N 1 3 338.883 2.457 10 0 EEAEHO Cc1cncc(CNC/C=C\CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)c1 ZINC001483025783 1188025801 /nfs/dbraw/zinc/02/58/01/1188025801.db2.gz YNVQSNFEZBSHCH-QVOQXLMASA-N 1 3 342.487 2.169 10 0 EEAEHO Cc1cncc(CNC/C=C\CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)c1 ZINC001483025783 1188025803 /nfs/dbraw/zinc/02/58/03/1188025803.db2.gz YNVQSNFEZBSHCH-QVOQXLMASA-N 1 3 342.487 2.169 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCOCC1 ZINC001671389962 1193543400 /nfs/dbraw/zinc/54/34/00/1193543400.db2.gz NWZROTUDAZRZKD-GOSISDBHSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cnc(Cl)s1)N(C)C ZINC001272863737 1193582562 /nfs/dbraw/zinc/58/25/62/1193582562.db2.gz APIVBRCGDXPHOE-CMPLNLGQSA-N 1 3 332.901 2.121 10 0 EEAEHO C[C@@H](NCc1ccnn1C)[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001409348155 1189559463 /nfs/dbraw/zinc/55/94/63/1189559463.db2.gz GJEXQIFBHAZARC-HUUCEWRRSA-N 1 3 349.523 2.056 10 0 EEAEHO C[C@@H](NCc1ccnn1C)[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001409348155 1189559465 /nfs/dbraw/zinc/55/94/65/1189559465.db2.gz GJEXQIFBHAZARC-HUUCEWRRSA-N 1 3 349.523 2.056 10 0 EEAEHO Cc1cc(CNC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)sn1 ZINC001483272438 1190296217 /nfs/dbraw/zinc/29/62/17/1190296217.db2.gz XQHPZSFTCFEEEO-GOEBONIOSA-N 1 3 338.521 2.309 10 0 EEAEHO Cc1cc(CNC[C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)sn1 ZINC001483272438 1190296219 /nfs/dbraw/zinc/29/62/19/1190296219.db2.gz XQHPZSFTCFEEEO-GOEBONIOSA-N 1 3 338.521 2.309 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001483287104 1190311469 /nfs/dbraw/zinc/31/14/69/1190311469.db2.gz LQMZARIUVBGLLQ-AAEUAGOBSA-N 1 3 328.407 2.180 10 0 EEAEHO CCc1nocc1CNCCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001483474230 1190496156 /nfs/dbraw/zinc/49/61/56/1190496156.db2.gz PODRQJJBBNJVNM-UHFFFAOYSA-N 1 3 348.491 2.051 10 0 EEAEHO Cc1nc(C)c(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)s1 ZINC001486133654 1193690488 /nfs/dbraw/zinc/69/04/88/1193690488.db2.gz FNQQMKXQXHWIPL-DOMZBBRYSA-N 1 3 338.521 2.179 10 0 EEAEHO C[C@@H](C(=O)NC[C@H](O)C[NH2+]CCCC(C)(C)C)N1CCCCCC1 ZINC001272536881 1190870483 /nfs/dbraw/zinc/87/04/83/1190870483.db2.gz OCWUQHHSVZKBOZ-DLBZAZTESA-N 1 3 341.540 2.144 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001483801386 1191043021 /nfs/dbraw/zinc/04/30/21/1191043021.db2.gz IKSHOUDIGZAWDG-AEFFLSMTSA-N 1 3 348.491 2.082 10 0 EEAEHO CCOCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001483801386 1191043026 /nfs/dbraw/zinc/04/30/26/1191043026.db2.gz IKSHOUDIGZAWDG-AEFFLSMTSA-N 1 3 348.491 2.082 10 0 EEAEHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CCCCO1)C1CCC1 ZINC001483934376 1191123467 /nfs/dbraw/zinc/12/34/67/1191123467.db2.gz PEJWOCQEOHNXCV-MSOLQXFVSA-N 1 3 337.508 2.011 10 0 EEAEHO Cc1cccnc1CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001484011462 1191154517 /nfs/dbraw/zinc/15/45/17/1191154517.db2.gz HFXWLXFTDBNQGC-MJGOQNOKSA-N 1 3 344.503 2.106 10 0 EEAEHO Cc1cccnc1CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001484011462 1191154519 /nfs/dbraw/zinc/15/45/19/1191154519.db2.gz HFXWLXFTDBNQGC-MJGOQNOKSA-N 1 3 344.503 2.106 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]C[C@@H](OC)C2CCCC2)C1)N(C)C ZINC001484876567 1191559922 /nfs/dbraw/zinc/55/99/22/1191559922.db2.gz MURMUWZDKPXPOL-KZNAEPCWSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCF)N(C)C ZINC001485044066 1191624379 /nfs/dbraw/zinc/62/43/79/1191624379.db2.gz LHRSHLLQEGIPRY-KZNAEPCWSA-N 1 3 335.467 2.304 10 0 EEAEHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001485093777 1191653579 /nfs/dbraw/zinc/65/35/79/1191653579.db2.gz KJVNPGJLHUWBPY-VJFUWPCTSA-N 1 3 335.467 2.396 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(Cl)nc1 ZINC001485206251 1191693025 /nfs/dbraw/zinc/69/30/25/1191693025.db2.gz IIPSJCHKAVOTIG-OLZOCXBDSA-N 1 3 326.872 2.060 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(Cl)nc1 ZINC001485206251 1191693027 /nfs/dbraw/zinc/69/30/27/1191693027.db2.gz IIPSJCHKAVOTIG-OLZOCXBDSA-N 1 3 326.872 2.060 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)CC(C)(C)C[NH2+]Cc1cncc(F)c1 ZINC001485265973 1191711112 /nfs/dbraw/zinc/71/11/12/1191711112.db2.gz PLPVXMOFTDPRGG-UHFFFAOYSA-N 1 3 338.471 2.135 10 0 EEAEHO Cc1cc(C)cc(OCCN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001485386090 1191774097 /nfs/dbraw/zinc/77/40/97/1191774097.db2.gz TYBKXHUMHSDQSN-ZWKOTPCHSA-N 1 3 347.503 2.070 10 0 EEAEHO Cc1cc(C)cc(OCCN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001485386090 1191774098 /nfs/dbraw/zinc/77/40/98/1191774098.db2.gz TYBKXHUMHSDQSN-ZWKOTPCHSA-N 1 3 347.503 2.070 10 0 EEAEHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CC[C@@H]2CCCO2)C(C)(C)C)CCC1 ZINC001486398170 1193898656 /nfs/dbraw/zinc/89/86/56/1193898656.db2.gz DHCGIEFOBQVIPW-HOTGVXAUSA-N 1 3 339.524 2.160 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCOC)CC1 ZINC001486446572 1193961076 /nfs/dbraw/zinc/96/10/76/1193961076.db2.gz QFSZJLBJGWOLFA-FUHWJXTLSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](Cc2ncccc2C)CC1)N(C)C ZINC001486449577 1193964634 /nfs/dbraw/zinc/96/46/34/1193964634.db2.gz YUGMLJPUVARUDD-LPHOPBHVSA-N 1 3 346.519 2.447 10 0 EEAEHO COCCCNC(=O)[C@H](C)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158871 1198065283 /nfs/dbraw/zinc/06/52/83/1198065283.db2.gz YPZWXIPFPIPZIV-BQFCYCMXSA-N 1 3 339.524 2.147 10 0 EEAEHO c1cn(-c2ncccc2CNCc2cc3c(s2)CC[NH2+]C3)cn1 ZINC000873212267 1198531744 /nfs/dbraw/zinc/53/17/44/1198531744.db2.gz YHCCSOJDKORKDT-UHFFFAOYSA-N 1 3 325.441 2.264 10 0 EEAEHO CN(CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cncs2)C1)C1CCC1 ZINC001410949412 1198615131 /nfs/dbraw/zinc/61/51/31/1198615131.db2.gz IKPBANUJWHWVGX-KBPBESRZSA-N 1 3 336.505 2.002 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1 ZINC001411230395 1198940848 /nfs/dbraw/zinc/94/08/48/1198940848.db2.gz CLSCUIISIQNNNB-ZIAGYGMSSA-N 1 3 335.414 2.107 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NC/C=C\CNCc2cccc(Cl)c2)C1 ZINC001274498039 1205057803 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EEAEHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000924806893 1206034772 /nfs/dbraw/zinc/03/47/72/1206034772.db2.gz GSUNVFJJSPEEGE-NNXNONAVSA-N 1 3 347.478 2.129 10 0 EEAEHO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCN(C)[C@H]2C)c1 ZINC000925327514 1206097658 /nfs/dbraw/zinc/09/76/58/1206097658.db2.gz GCMIFKBRMVIDBG-WMZOPIPTSA-N 1 3 332.492 2.161 10 0 EEAEHO C[C@H]1[C@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000925331880 1206098240 /nfs/dbraw/zinc/09/82/40/1206098240.db2.gz XWEQVCKDTCFHLM-QFBILLFUSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925521869 1206122471 /nfs/dbraw/zinc/12/24/71/1206122471.db2.gz KQKJCGSLWXMLQK-NZSAHSFTSA-N 1 3 328.504 2.057 10 0 EEAEHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CCN(C(=O)Nc3ccccc3)C1)[NH2+]2 ZINC000925664236 1206141220 /nfs/dbraw/zinc/14/12/20/1206141220.db2.gz DNVCSQMWACYUGA-PLLDYVMSSA-N 1 3 328.460 2.411 10 0 EEAEHO c1ccc2c(c1)CCO[C@@H]2CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925880331 1206163459 /nfs/dbraw/zinc/16/34/59/1206163459.db2.gz JNEIGHUAULPFOR-UAFMIMERSA-N 1 3 330.472 2.437 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc(Cl)n1 ZINC000827837846 1248818518 /nfs/dbraw/zinc/81/85/18/1248818518.db2.gz MJQSSGAWDYPJHR-UKRRQHHQSA-N 1 3 338.883 2.280 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc(Cl)n1 ZINC000827837846 1248818524 /nfs/dbraw/zinc/81/85/24/1248818524.db2.gz MJQSSGAWDYPJHR-UKRRQHHQSA-N 1 3 338.883 2.280 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NCC[N@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000827076533 1249790993 /nfs/dbraw/zinc/79/09/93/1249790993.db2.gz ROPITQBPBXPKPW-DZGCQCFKSA-N 1 3 338.883 2.424 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000827076533 1249791003 /nfs/dbraw/zinc/79/10/03/1249791003.db2.gz ROPITQBPBXPKPW-DZGCQCFKSA-N 1 3 338.883 2.424 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NCC[NH+]2CCCCCC2)cc(Cl)n1 ZINC000826903057 1248115906 /nfs/dbraw/zinc/11/59/06/1248115906.db2.gz QZXFQOUDBHXNCA-HNNXBMFYSA-N 1 3 338.883 2.426 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc(Cl)n1 ZINC000826935043 1248130460 /nfs/dbraw/zinc/13/04/60/1248130460.db2.gz SHLPQAVLIACMLL-DZGCQCFKSA-N 1 3 338.883 2.424 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001491191597 1258757153 /nfs/dbraw/zinc/75/71/53/1258757153.db2.gz ULPYHUIYINLAFT-CYBMUJFWSA-N 1 3 336.307 2.474 10 0 EEAEHO COc1cccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCN2C(C)C)c1 ZINC001491454451 1259098385 /nfs/dbraw/zinc/09/83/85/1259098385.db2.gz JLOGBPJNKPLEPN-CRAIPNDOSA-N 1 3 333.476 2.162 10 0 EEAEHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CCc1ccccc1Cl)N(C)C ZINC001491493873 1259144573 /nfs/dbraw/zinc/14/45/73/1259144573.db2.gz AJVSUKOVUXRRSH-XJKSGUPXSA-N 1 3 325.884 2.317 10 0 EEAEHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](NCc2cc3ccccc3o2)C2CC2)C1 ZINC001490735931 1291645199 /nfs/dbraw/zinc/64/51/99/1291645199.db2.gz OXXKCFXSNGBWIB-AEFFLSMTSA-N 1 3 341.455 2.369 10 0 EEAEHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](NCc2cc3ccccc3o2)C2CC2)C1 ZINC001490735931 1291645209 /nfs/dbraw/zinc/64/52/09/1291645209.db2.gz OXXKCFXSNGBWIB-AEFFLSMTSA-N 1 3 341.455 2.369 10 0 EEAEHO COC(=O)C1=CC[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000863542898 1296327698 /nfs/dbraw/zinc/32/76/98/1296327698.db2.gz UGDHXGTVCAQCAV-QOKNQOGYSA-N 1 3 328.412 2.094 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCCC(F)(F)F)C[C@H]21 ZINC001276750906 1297352547 /nfs/dbraw/zinc/35/25/47/1297352547.db2.gz ROXCOUOLALDVMA-QKDCVEJESA-N 1 3 349.441 2.353 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCCCC(F)(F)F)C[C@H]21 ZINC001276750906 1297352561 /nfs/dbraw/zinc/35/25/61/1297352561.db2.gz ROXCOUOLALDVMA-QKDCVEJESA-N 1 3 349.441 2.353 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NC[C@@H]([NH3+])c2ccccc2)cc(Cl)n1 ZINC000841847939 1315622741 /nfs/dbraw/zinc/62/27/41/1315622741.db2.gz NJGDVHHPVIYANF-LSDHHAIUSA-N 1 3 332.835 2.250 10 0 EEAEHO CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001264675405 1322777701 /nfs/dbraw/zinc/77/77/01/1322777701.db2.gz DBZXVEHUKIZXQW-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO CCOCC[NH+]1CCC(N(C)C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001265199823 1322980621 /nfs/dbraw/zinc/98/06/21/1322980621.db2.gz CQVCGRFKIYZYMD-UHFFFAOYSA-N 1 3 347.503 2.321 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCCC[N@H+](C)C/C=C\c2ccccc2)C1 ZINC001265923669 1323490243 /nfs/dbraw/zinc/49/02/43/1323490243.db2.gz URSAXYJLVJMWNC-TWVNLXSWSA-N 1 3 329.488 2.480 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCCC[N@@H+](C)C/C=C\c2ccccc2)C1 ZINC001265923669 1323490246 /nfs/dbraw/zinc/49/02/46/1323490246.db2.gz URSAXYJLVJMWNC-TWVNLXSWSA-N 1 3 329.488 2.480 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CCNCc2cnoc2C)C1 ZINC001280062072 1324072726 /nfs/dbraw/zinc/07/27/26/1324072726.db2.gz JXOQLKDZYRHRDO-SJLPKXTDSA-N 1 3 348.491 2.186 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CCNCc2cnoc2C)C1 ZINC001280062072 1324072731 /nfs/dbraw/zinc/07/27/31/1324072731.db2.gz JXOQLKDZYRHRDO-SJLPKXTDSA-N 1 3 348.491 2.186 10 0 EEAEHO O=C(N[C@@H](CNCCF)C1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001276641286 1324939538 /nfs/dbraw/zinc/93/95/38/1324939538.db2.gz LESWAWKHSWXIAN-DLBZAZTESA-N 1 3 325.472 2.237 10 0 EEAEHO O=C(N[C@@H](CNCCF)C1CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001276641286 1324939541 /nfs/dbraw/zinc/93/95/41/1324939541.db2.gz LESWAWKHSWXIAN-DLBZAZTESA-N 1 3 325.472 2.237 10 0 EEAEHO CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001316756579 1331875227 /nfs/dbraw/zinc/87/52/27/1331875227.db2.gz GGHURDTZPJWOPJ-BSMJBHPZSA-N 1 3 333.520 2.465 10 0 EEAEHO CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001316756579 1331875230 /nfs/dbraw/zinc/87/52/30/1331875230.db2.gz GGHURDTZPJWOPJ-BSMJBHPZSA-N 1 3 333.520 2.465 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@@H](C[NH2+]C/C=C/Cl)C2)C1 ZINC001317339108 1332185238 /nfs/dbraw/zinc/18/52/38/1332185238.db2.gz QIZFPHWKJSTTHP-CEJLMLBOSA-N 1 3 345.890 2.390 10 0 EEAEHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2CCCCC(F)(F)F)C1 ZINC001317515142 1332277148 /nfs/dbraw/zinc/27/71/48/1332277148.db2.gz GPIYGQYTCOANEA-KGLIPLIRSA-N 1 3 335.414 2.251 10 0 EEAEHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2CCCCC(F)(F)F)C1 ZINC001317515142 1332277149 /nfs/dbraw/zinc/27/71/49/1332277149.db2.gz GPIYGQYTCOANEA-KGLIPLIRSA-N 1 3 335.414 2.251 10 0 EEAEHO C[NH+](C)CCCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@H]1CCC(F)(F)C1 ZINC001318224705 1332491746 /nfs/dbraw/zinc/49/17/46/1332491746.db2.gz TYKYJPRHEOAPAI-JYJNAYRXSA-N 1 3 343.462 2.439 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)CN1CC[C@@H](C)C1 ZINC001320547966 1332907663 /nfs/dbraw/zinc/90/76/63/1332907663.db2.gz IGOAJNNOIATHAQ-CVEARBPZSA-N 1 3 345.487 2.043 10 0 EEAEHO Cc1ncc(CNCC[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001320561413 1332910802 /nfs/dbraw/zinc/91/08/02/1332910802.db2.gz GDLPDTSXPAENQQ-HUUCEWRRSA-N 1 3 336.480 2.232 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC(F)(F)C1 ZINC001320643961 1332927650 /nfs/dbraw/zinc/92/76/50/1332927650.db2.gz ICKJQHMHXYOADD-UKRRQHHQSA-N 1 3 331.451 2.391 10 0 EEAEHO Cc1ccc(F)cc1CNC/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001321063612 1333008648 /nfs/dbraw/zinc/00/86/48/1333008648.db2.gz IOMZBTFSGJAAKC-AXMVSILFSA-N 1 3 345.462 2.238 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@@H]2CCCN2C(=O)CN2CC[C@H](C)C2)cc1 ZINC001324224678 1333638249 /nfs/dbraw/zinc/63/82/49/1333638249.db2.gz DMLFMRZZUUNMNT-ICSRJNTNSA-N 1 3 343.515 2.460 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001324235501 1333640185 /nfs/dbraw/zinc/64/01/85/1333640185.db2.gz LAJNDORAVLOYBQ-AAEUAGOBSA-N 1 3 345.274 2.117 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@H](CC[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001326366191 1334077583 /nfs/dbraw/zinc/07/75/83/1334077583.db2.gz ZRXFKVVCYDLSNH-AEFFLSMTSA-N 1 3 347.478 2.496 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C)nc2C)C1)N(C)C ZINC001326412407 1334088260 /nfs/dbraw/zinc/08/82/60/1334088260.db2.gz SKTWODAOXKDRJT-HKUYNNGSSA-N 1 3 346.519 2.367 10 0 EEAEHO Cc1ncoc1CNCC[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001326435967 1334093364 /nfs/dbraw/zinc/09/33/64/1334093364.db2.gz ADJFSSXFPROOST-QGZVFWFLSA-N 1 3 348.491 2.187 10 0 EEAEHO CC[C@@H](C(=O)N1CC2(C1)CC[NH+](CCCCCF)CC2)N(C)C ZINC001326598831 1334122579 /nfs/dbraw/zinc/12/25/79/1334122579.db2.gz LLTIRIDRIDATAB-INIZCTEOSA-N 1 3 327.488 2.391 10 0 EEAEHO Cc1ncoc1CNCCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001330932193 1334929785 /nfs/dbraw/zinc/92/97/85/1334929785.db2.gz OMAIHVFJWROCIW-CQSZACIVSA-N 1 3 336.480 2.089 10 0 EEAEHO C[C@H]1C[C@@H]([NH2+]CCCCC2CCOCC2)CN1C(=O)Cc1c[nH]cn1 ZINC001332027747 1335709108 /nfs/dbraw/zinc/70/91/08/1335709108.db2.gz NBKAJISNKRGMKY-MAUKXSAKSA-N 1 3 348.491 2.128 10 0 EEAEHO COCc1cccc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)N2CCCC2)c1 ZINC001480515774 1338274193 /nfs/dbraw/zinc/27/41/93/1338274193.db2.gz IVRUCLRRRHGNIO-INIZCTEOSA-N 1 3 347.503 2.302 10 0 EEAEHO CC(C)OCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001666195684 1355481938 /nfs/dbraw/zinc/48/19/38/1355481938.db2.gz XRIWCTUIVGNTBI-GOSISDBHSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCOCC2CCC2)C[C@H]1C ZINC001569528755 1342893233 /nfs/dbraw/zinc/89/32/33/1342893233.db2.gz YGYAODZKAMZUME-SJLPKXTDSA-N 1 3 339.524 2.112 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CCNCc3cnoc3C)C2)CC[N@@H+]1C ZINC001569981288 1342987392 /nfs/dbraw/zinc/98/73/92/1342987392.db2.gz GNKRDABFBUVLOP-BPQIPLTHSA-N 1 3 348.491 2.042 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CCNCc3cnoc3C)C2)CC[N@H+]1C ZINC001569981288 1342987394 /nfs/dbraw/zinc/98/73/94/1342987394.db2.gz GNKRDABFBUVLOP-BPQIPLTHSA-N 1 3 348.491 2.042 10 0 EEAEHO CCC/C=C/CC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001649456154 1353515152 /nfs/dbraw/zinc/51/51/52/1353515152.db2.gz HAQVFNFAKBKTGG-LXXRFIIISA-N 1 3 337.508 2.034 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+]CCOCC2CC2)C1 ZINC001656910140 1354298865 /nfs/dbraw/zinc/29/88/65/1354298865.db2.gz VHNJELIMFUYKCR-GOSISDBHSA-N 1 3 339.524 2.114 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCOc2cc(C)cc(C)c2)C1 ZINC001661369519 1354632124 /nfs/dbraw/zinc/63/21/24/1354632124.db2.gz JJAAQPHBUKPHAH-SFHVURJKSA-N 1 3 347.503 2.215 10 0 EEAEHO COCCC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001662761632 1354840965 /nfs/dbraw/zinc/84/09/65/1354840965.db2.gz ZOJGAIPOKMORSE-IRXDYDNUSA-N 1 3 339.524 2.304 10 0 EEAEHO CC(C)OCCCN1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001665597211 1355330069 /nfs/dbraw/zinc/33/00/69/1355330069.db2.gz STTRGXWDGXLVGA-QZTJIDSGSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001668319133 1355922626 /nfs/dbraw/zinc/92/26/26/1355922626.db2.gz DNTUCDSZFACNKL-OAHLLOKOSA-N 1 3 330.476 2.493 10 0 EEAEHO CC[C@@H](C)C[NH2+]CCCOC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001675149739 1356938682 /nfs/dbraw/zinc/93/86/82/1356938682.db2.gz RNDHWTSMEONWGY-AEFFLSMTSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ncc(CNCC[C@@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001698919657 1405161365 /nfs/dbraw/zinc/16/13/65/1405161365.db2.gz DMRQVEWKQSACPQ-SJORKVTESA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncc(CNCC[C@@H]2CCCCN2C(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001698919657 1405161370 /nfs/dbraw/zinc/16/13/70/1405161370.db2.gz DMRQVEWKQSACPQ-SJORKVTESA-N 1 3 348.491 2.186 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC[C@@H]1CCCC1(F)F)N(C)C ZINC001699367039 1405341887 /nfs/dbraw/zinc/34/18/87/1405341887.db2.gz XBKQXTSIFQLXMW-ILXRZTDVSA-N 1 3 333.467 2.492 10 0 EEAEHO CN(CCCNCc1cc(F)ccc1Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001699550026 1405385424 /nfs/dbraw/zinc/38/54/24/1405385424.db2.gz CAXLJVZSFPKCFS-ZDUSSCGKSA-N 1 3 341.858 2.369 10 0 EEAEHO CN(CCCNCc1cc(F)ccc1Cl)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001699550026 1405385430 /nfs/dbraw/zinc/38/54/30/1405385430.db2.gz CAXLJVZSFPKCFS-ZDUSSCGKSA-N 1 3 341.858 2.369 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1CC(F)(F)C1 ZINC001699554032 1405392447 /nfs/dbraw/zinc/39/24/47/1405392447.db2.gz IYIIUPDIUVHZHJ-OAHLLOKOSA-N 1 3 331.451 2.344 10 0 EEAEHO CCC[NH+]1CCC(CNCc2cnc(C3OCCO3)s2)CC1 ZINC000809615929 783226485 /nfs/dbraw/zinc/22/64/85/783226485.db2.gz GONSXKYWABAQML-UHFFFAOYSA-N 1 3 325.478 2.400 10 0 EEAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 ZINC000817927427 785044754 /nfs/dbraw/zinc/04/47/54/785044754.db2.gz KPBYMHJQRWHGTJ-AGMRTUQYSA-N 1 3 343.427 2.350 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N[C@H]2CC[NH2+]C23CCCC3)cc(Cl)n1 ZINC000843514006 788669765 /nfs/dbraw/zinc/66/97/65/788669765.db2.gz HOMSRDSKKXPEPD-KBPBESRZSA-N 1 3 336.867 2.224 10 0 EEAEHO COc1cccc(CN(C[C@H]2CCCO2)C[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923309074 789365740 /nfs/dbraw/zinc/36/57/40/789365740.db2.gz QGJZVXDCRQNLLP-RTBURBONSA-N 1 3 346.471 2.055 10 0 EEAEHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1CCO[C@H]1CCOC1 ZINC000923346218 789424119 /nfs/dbraw/zinc/42/41/19/789424119.db2.gz WCQQVSDVNRIDCH-UFYCRDLUSA-N 1 3 332.488 2.464 10 0 EEAEHO [NH3+]C[C@@H]1CC2(CO1)CCN(C[C@H](O)c1ccc(F)cc1Cl)CC2 ZINC000923439083 789562585 /nfs/dbraw/zinc/56/25/85/789562585.db2.gz CMWGWYDSGJRCNJ-BBRMVZONSA-N 1 3 342.842 2.342 10 0 EEAEHO O[C@]1(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCOC1 ZINC000716672154 796406061 /nfs/dbraw/zinc/40/60/61/796406061.db2.gz IJGLQHKIBRXMRD-ZGXWSNOMSA-N 1 3 330.472 2.171 10 0 EEAEHO Cc1ccc(CN(C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)c(C)n1 ZINC001566488358 1125650973 /nfs/dbraw/zinc/65/09/73/1125650973.db2.gz PFHURBPHEMTLHB-GOSISDBHSA-N 1 3 334.508 2.223 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)CCC(F)(F)F)CC[N@@H+]1C ZINC001566551088 1125721809 /nfs/dbraw/zinc/72/18/09/1125721809.db2.gz HQLQEALKDRLMLR-UONOGXRCSA-N 1 3 337.430 2.497 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)CCC(F)(F)F)CC[N@H+]1C ZINC001566551088 1125721817 /nfs/dbraw/zinc/72/18/17/1125721817.db2.gz HQLQEALKDRLMLR-UONOGXRCSA-N 1 3 337.430 2.497 10 0 EEAEHO C[C@H](N[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)c1ccccc1F ZINC001436825273 1088428463 /nfs/dbraw/zinc/42/84/63/1088428463.db2.gz HGTLWOWLPQAUHC-KSSFIOAISA-N 1 3 345.462 2.467 10 0 EEAEHO C[NH+](C)CCC(=O)NC[C@H]1CCCCN1CCc1ccccc1F ZINC001437033637 1088862575 /nfs/dbraw/zinc/86/25/75/1088862575.db2.gz FCEGSLKSAHKJSD-QGZVFWFLSA-N 1 3 335.467 2.291 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC001437325275 1089492505 /nfs/dbraw/zinc/49/25/05/1089492505.db2.gz QZEPLKAZJRUUAR-JKSUJKDBSA-N 1 3 336.455 2.078 10 0 EEAEHO Cc1ccc(C[N@H+]2CC[C@@H](CCNC(=O)[C@H]3CCCN3C)C2)c(C)n1 ZINC001437948872 1090545494 /nfs/dbraw/zinc/54/54/94/1090545494.db2.gz QSAUCDGASPOGPZ-IEBWSBKVSA-N 1 3 344.503 2.121 10 0 EEAEHO Cc1ccc(C[N@@H+]2CC[C@@H](CCNC(=O)[C@H]3CCCN3C)C2)c(C)n1 ZINC001437948872 1090545495 /nfs/dbraw/zinc/54/54/95/1090545495.db2.gz QSAUCDGASPOGPZ-IEBWSBKVSA-N 1 3 344.503 2.121 10 0 EEAEHO CC[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]Cc1cccnc1C ZINC001438308413 1090787230 /nfs/dbraw/zinc/78/72/30/1090787230.db2.gz XMQCEUSZYWMFEY-ZWKOTPCHSA-N 1 3 332.492 2.247 10 0 EEAEHO COc1ccc(C)cc1CNC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001445384659 1091127601 /nfs/dbraw/zinc/12/76/01/1091127601.db2.gz BHHRIYMZLSLJDO-SJLPKXTDSA-N 1 3 347.503 2.472 10 0 EEAEHO COc1ccc(C)cc1CNC[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001445384659 1091127604 /nfs/dbraw/zinc/12/76/04/1091127604.db2.gz BHHRIYMZLSLJDO-SJLPKXTDSA-N 1 3 347.503 2.472 10 0 EEAEHO C[C@@H](C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C(=O)CN(C)C1CCC1 ZINC001438648174 1091132357 /nfs/dbraw/zinc/13/23/57/1091132357.db2.gz FWIFENNQRJIIQW-KBPBESRZSA-N 1 3 331.451 2.343 10 0 EEAEHO C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNCc1cncs1 ZINC001438771698 1091355923 /nfs/dbraw/zinc/35/59/23/1091355923.db2.gz KPDIOVBAPGTUKN-GDBMZVCRSA-N 1 3 338.521 2.202 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCc2ccns2)C(C)C)CC[N@@H+]1C ZINC001438818340 1091435933 /nfs/dbraw/zinc/43/59/33/1091435933.db2.gz YEGBPGCEAHNULB-ARFHVFGLSA-N 1 3 338.521 2.104 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCc2ccns2)C(C)C)CC[N@H+]1C ZINC001438818340 1091435936 /nfs/dbraw/zinc/43/59/36/1091435936.db2.gz YEGBPGCEAHNULB-ARFHVFGLSA-N 1 3 338.521 2.104 10 0 EEAEHO Cc1cccc(OCCN(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001445763675 1091614808 /nfs/dbraw/zinc/61/48/08/1091614808.db2.gz ZRXCJJXQYDECHA-ZHALLVOQSA-N 1 3 347.503 2.151 10 0 EEAEHO Cc1cccc(OCCN(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001445763675 1091614826 /nfs/dbraw/zinc/61/48/26/1091614826.db2.gz ZRXCJJXQYDECHA-ZHALLVOQSA-N 1 3 347.503 2.151 10 0 EEAEHO COc1cc(CN(C)C[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)ccc1C ZINC001445848860 1091758889 /nfs/dbraw/zinc/75/88/89/1091758889.db2.gz FWRHMGNUOFRACY-AEFFLSMTSA-N 1 3 347.503 2.282 10 0 EEAEHO COc1cc(CN(C)C[C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)ccc1C ZINC001445848860 1091758891 /nfs/dbraw/zinc/75/88/91/1091758891.db2.gz FWRHMGNUOFRACY-AEFFLSMTSA-N 1 3 347.503 2.282 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1cncc(C)c1)C1CC1 ZINC001445945951 1091884316 /nfs/dbraw/zinc/88/43/16/1091884316.db2.gz BPPDXRQVNHVKTJ-RTBURBONSA-N 1 3 344.503 2.249 10 0 EEAEHO O=C(N[C@@H](CNCc1ccccc1F)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001445959341 1091906615 /nfs/dbraw/zinc/90/66/15/1091906615.db2.gz YZVYJQGNJSLCJU-MJGOQNOKSA-N 1 3 345.462 2.152 10 0 EEAEHO CC(C)(C(=O)N[C@H](C[NH2+]Cc1cncc(F)c1)C1CC1)N1CCCC1 ZINC001445963557 1091915376 /nfs/dbraw/zinc/91/53/76/1091915376.db2.gz VDTFEMADGYVMJU-QGZVFWFLSA-N 1 3 348.466 2.080 10 0 EEAEHO CC(C)(C(=O)N[C@H](CNCc1cncc(F)c1)C1CC1)[NH+]1CCCC1 ZINC001445963557 1091915381 /nfs/dbraw/zinc/91/53/81/1091915381.db2.gz VDTFEMADGYVMJU-QGZVFWFLSA-N 1 3 348.466 2.080 10 0 EEAEHO Cc1ccc(F)c(C[NH2+]C[C@@H](NC(=O)CN2CC[C@H](C)C2)C2CC2)c1 ZINC001445982853 1091947148 /nfs/dbraw/zinc/94/71/48/1091947148.db2.gz QKNDPURVLFVAIF-HNAYVOBHSA-N 1 3 347.478 2.460 10 0 EEAEHO Cc1ccc(F)cc1CN(C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001439325583 1092003628 /nfs/dbraw/zinc/00/36/28/1092003628.db2.gz KMVIWYSMWPNZPN-KXBFYZLASA-N 1 3 347.478 2.412 10 0 EEAEHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]Cc1ccccn1 ZINC001439515891 1092360902 /nfs/dbraw/zinc/36/09/02/1092360902.db2.gz PMGULHKVWGJGLS-WMZOPIPTSA-N 1 3 332.492 2.139 10 0 EEAEHO C[C@@H]([NH2+]CCc1ccccc1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001440116689 1093177591 /nfs/dbraw/zinc/17/75/91/1093177591.db2.gz GMSOZOHBARBGSE-IEBWSBKVSA-N 1 3 329.488 2.152 10 0 EEAEHO Cc1ncsc1CN[C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001448649399 1093714546 /nfs/dbraw/zinc/71/45/46/1093714546.db2.gz IHRCGYAPAHOBRN-HIFRSBDPSA-N 1 3 338.521 2.261 10 0 EEAEHO Cc1ncsc1CN[C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001448649399 1093714549 /nfs/dbraw/zinc/71/45/49/1093714549.db2.gz IHRCGYAPAHOBRN-HIFRSBDPSA-N 1 3 338.521 2.261 10 0 EEAEHO Cc1ccc(F)c(CN[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001448658375 1093725961 /nfs/dbraw/zinc/72/59/61/1093725961.db2.gz UYFGLUMZWFHMRB-ZMSDIMECSA-N 1 3 335.467 2.411 10 0 EEAEHO Cc1ccc(F)c(CN[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001448658375 1093725963 /nfs/dbraw/zinc/72/59/63/1093725963.db2.gz UYFGLUMZWFHMRB-ZMSDIMECSA-N 1 3 335.467 2.411 10 0 EEAEHO CC[C@@H](F)CN1CC[C@@]2(C1)CCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001440537258 1093801676 /nfs/dbraw/zinc/80/16/76/1093801676.db2.gz KBXHTOVYEILJSX-SJLPKXTDSA-N 1 3 327.488 2.391 10 0 EEAEHO CC[C@@H](F)CN1CC[C@@]2(C1)CCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001440537258 1093801686 /nfs/dbraw/zinc/80/16/86/1093801686.db2.gz KBXHTOVYEILJSX-SJLPKXTDSA-N 1 3 327.488 2.391 10 0 EEAEHO Cc1ccc(CC[NH2+][C@H](C)CN(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001448730815 1093801673 /nfs/dbraw/zinc/80/16/73/1093801673.db2.gz VJADYJNAGNKQFH-ZWKOTPCHSA-N 1 3 331.504 2.316 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCc2cccnc2)C(C)(C)C1 ZINC001449093201 1094104261 /nfs/dbraw/zinc/10/42/61/1094104261.db2.gz SFPGAPKTZDIUQT-KRWDZBQOSA-N 1 3 332.492 2.140 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCc2cccnc2)C(C)(C)C1 ZINC001449093201 1094104264 /nfs/dbraw/zinc/10/42/64/1094104264.db2.gz SFPGAPKTZDIUQT-KRWDZBQOSA-N 1 3 332.492 2.140 10 0 EEAEHO C[NH+](C)CCCC(=O)N1CCC[C@H]2CN(Cc3cccnc3)CC[C@H]21 ZINC001441480649 1095151228 /nfs/dbraw/zinc/15/12/28/1095151228.db2.gz PXMZJLBNTVHLPT-RBUKOAKNSA-N 1 3 344.503 2.236 10 0 EEAEHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(N(C)C)c1 ZINC001441529718 1095237213 /nfs/dbraw/zinc/23/72/13/1095237213.db2.gz ANSCJYANWIBUPI-MRXNPFEDSA-N 1 3 346.519 2.173 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCc1cccnc1 ZINC001441544281 1095266413 /nfs/dbraw/zinc/26/64/13/1095266413.db2.gz HKLYCRBQRYVNNQ-SJLPKXTDSA-N 1 3 332.492 2.139 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCc1cccnc1 ZINC001441544281 1095266428 /nfs/dbraw/zinc/26/64/28/1095266428.db2.gz HKLYCRBQRYVNNQ-SJLPKXTDSA-N 1 3 332.492 2.139 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(F)(F)C1 ZINC001441682071 1095661006 /nfs/dbraw/zinc/66/10/06/1095661006.db2.gz XBDFPMHKWAOERN-OAHLLOKOSA-N 1 3 331.451 2.343 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)nc2C)[C@H]1C ZINC001441834054 1095900389 /nfs/dbraw/zinc/90/03/89/1095900389.db2.gz ZVIBOLOTHNAWGG-AEFFLSMTSA-N 1 3 332.492 2.119 10 0 EEAEHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1cc2ccccc2o1 ZINC001442007710 1096210862 /nfs/dbraw/zinc/21/08/62/1096210862.db2.gz JRSNZZVEOWETPJ-GJZGRUSLSA-N 1 3 329.444 2.369 10 0 EEAEHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1cc2ccccc2o1 ZINC001442007710 1096210868 /nfs/dbraw/zinc/21/08/68/1096210868.db2.gz JRSNZZVEOWETPJ-GJZGRUSLSA-N 1 3 329.444 2.369 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC001442333596 1096655522 /nfs/dbraw/zinc/65/55/22/1096655522.db2.gz GTRQXVHEICYHRE-VQIMIIECSA-N 1 3 347.503 2.038 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2cnccn2)CC1 ZINC001443131488 1097556833 /nfs/dbraw/zinc/55/68/33/1097556833.db2.gz BLPWTTWRBMDZCQ-CVEARBPZSA-N 1 3 347.507 2.095 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]Cc2ccccc2F)C2CC2)C1 ZINC001480047419 1099551914 /nfs/dbraw/zinc/55/19/14/1099551914.db2.gz RSCOODLENWWTIR-KSSFIOAISA-N 1 3 333.451 2.152 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001480063845 1099592362 /nfs/dbraw/zinc/59/23/62/1099592362.db2.gz SYVZZLRANMPGOP-QGZVFWFLSA-N 1 3 330.476 2.325 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1CNCc1nc(C)oc1C ZINC001445105781 1100341751 /nfs/dbraw/zinc/34/17/51/1100341751.db2.gz HMVZCXWYXNOXGO-JKSUJKDBSA-N 1 3 336.480 2.008 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1CNCc1nc(C)oc1C ZINC001445105781 1100341761 /nfs/dbraw/zinc/34/17/61/1100341761.db2.gz HMVZCXWYXNOXGO-JKSUJKDBSA-N 1 3 336.480 2.008 10 0 EEAEHO O=C(NC1(CNCCF)CCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001495204173 1100883449 /nfs/dbraw/zinc/88/34/49/1100883449.db2.gz SAJUHYQVCVADMB-UHFFFAOYSA-N 1 3 325.472 2.097 10 0 EEAEHO CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cncs1)N(C)C ZINC001496406207 1100999771 /nfs/dbraw/zinc/99/97/71/1100999771.db2.gz HEONBOFIRWCJDK-GDBMZVCRSA-N 1 3 338.521 2.344 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC[C@H](C)O)CC1 ZINC001495455713 1101167491 /nfs/dbraw/zinc/16/74/91/1101167491.db2.gz RVMZEWMWGNHMOX-XLAORIBOSA-N 1 3 339.524 2.037 10 0 EEAEHO Cc1nc(C)c(C[N@H+]2CC[C@H]3CN(C(=O)CN(C)C(C)C)CC[C@H]32)o1 ZINC001496867141 1101641039 /nfs/dbraw/zinc/64/10/39/1101641039.db2.gz JGWPVRYEJZIRHM-DLBZAZTESA-N 1 3 348.491 2.054 10 0 EEAEHO Cc1nc(C)c(C[N@@H+]2CC[C@H]3CN(C(=O)CN(C)C(C)C)CC[C@H]32)o1 ZINC001496867141 1101641041 /nfs/dbraw/zinc/64/10/41/1101641041.db2.gz JGWPVRYEJZIRHM-DLBZAZTESA-N 1 3 348.491 2.054 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccnc1C ZINC001497332619 1102339071 /nfs/dbraw/zinc/33/90/71/1102339071.db2.gz PRJLDPVGYRXXDJ-YJBOKZPZSA-N 1 3 332.492 2.249 10 0 EEAEHO CCN(CCNCc1sc(C)nc1C)C(=O)C1CC[NH+](C)CC1 ZINC001497447101 1102503278 /nfs/dbraw/zinc/50/32/78/1102503278.db2.gz HNBQTOFLQGQEEX-UHFFFAOYSA-N 1 3 338.521 2.040 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@H+](C)CC[C@H]2CCCCO2)C1 ZINC001494178047 1103650245 /nfs/dbraw/zinc/65/02/45/1103650245.db2.gz FPORBHWUVQAEPQ-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)CC[C@H]2CCCCO2)C1 ZINC001494178047 1103650246 /nfs/dbraw/zinc/65/02/46/1103650246.db2.gz FPORBHWUVQAEPQ-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO CCCC[C@@H](CNCc1ccns1)NC(=O)C12CC[NH+](CC1)C2 ZINC001448255632 1104255980 /nfs/dbraw/zinc/25/59/80/1104255980.db2.gz AVNNTJFVLNPTPA-AWEZNQCLSA-N 1 3 336.505 2.004 10 0 EEAEHO CCOCCN(C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001505436779 1113970297 /nfs/dbraw/zinc/97/02/97/1113970297.db2.gz DXHDXZVRMAWWCE-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO CCOCCN(C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001505436779 1113970301 /nfs/dbraw/zinc/97/03/01/1113970301.db2.gz DXHDXZVRMAWWCE-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO COc1ccc(Cl)cc1CN[C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001507116683 1115116722 /nfs/dbraw/zinc/11/67/22/1115116722.db2.gz CYBGXOHRJXZOED-CYBMUJFWSA-N 1 3 341.883 2.237 10 0 EEAEHO Cc1ccc(F)c(CN[C@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001507118182 1115117631 /nfs/dbraw/zinc/11/76/31/1115117631.db2.gz MARGZVUPKDZJIH-OAHLLOKOSA-N 1 3 335.467 2.412 10 0 EEAEHO COCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001568105705 1124305680 /nfs/dbraw/zinc/30/56/80/1124305680.db2.gz VUXJUUUNVUCDPW-KZNAEPCWSA-N 1 3 339.524 2.303 10 0 EEAEHO Cc1nc(CNCC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)sc1C ZINC001568671568 1124684839 /nfs/dbraw/zinc/68/48/39/1124684839.db2.gz UNFHGTZKAUUOCL-GFCCVEGCSA-N 1 3 338.521 2.086 10 0 EEAEHO C[C@H](NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC001568964606 1125001444 /nfs/dbraw/zinc/00/14/44/1125001444.db2.gz VLFCYGPHMCYTEK-CSDYLXSXSA-N 1 3 337.414 2.240 10 0 EEAEHO C[C@H](NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC001568964606 1125001454 /nfs/dbraw/zinc/00/14/54/1125001454.db2.gz VLFCYGPHMCYTEK-CSDYLXSXSA-N 1 3 337.414 2.240 10 0 EEAEHO C[C@H](CNCc1ccnc(Cl)c1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568997819 1125030096 /nfs/dbraw/zinc/03/00/96/1125030096.db2.gz LHNYEJRUFDPJPL-HIFRSBDPSA-N 1 3 338.883 2.204 10 0 EEAEHO C[C@H](CNCc1ccnc(Cl)c1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001568997819 1125030104 /nfs/dbraw/zinc/03/01/04/1125030104.db2.gz LHNYEJRUFDPJPL-HIFRSBDPSA-N 1 3 338.883 2.204 10 0 EEAEHO CCOCCC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC ZINC001569338815 1125239581 /nfs/dbraw/zinc/23/95/81/1125239581.db2.gz REPBHOGYDXVASF-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H](CNC(=O)c1ccccc1OCCN(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000068084362 201162511 /nfs/dbraw/zinc/16/25/11/201162511.db2.gz YFMXFZHKYYQHLV-SJORKVTESA-N 1 3 347.503 2.477 10 0 EEAEHO C[C@@H](CNC(=O)c1ccccc1OCCN(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000068084362 201162514 /nfs/dbraw/zinc/16/25/14/201162514.db2.gz YFMXFZHKYYQHLV-SJORKVTESA-N 1 3 347.503 2.477 10 0 EEAEHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1ccccc1Br ZINC000422836114 240252808 /nfs/dbraw/zinc/25/28/08/240252808.db2.gz ZTPKFIDEMFVORK-LNSITVRQSA-N 1 3 327.266 2.334 10 0 EEAEHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1ccccc1Br ZINC000422836114 240252820 /nfs/dbraw/zinc/25/28/20/240252820.db2.gz ZTPKFIDEMFVORK-LNSITVRQSA-N 1 3 327.266 2.334 10 0 EEAEHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3N)cn2)C[C@H](C)O1 ZINC000422882977 240274054 /nfs/dbraw/zinc/27/40/54/240274054.db2.gz PUYKDFPEFHUHDS-CIRFHOKZSA-N 1 3 332.492 2.445 10 0 EEAEHO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000425998673 241200369 /nfs/dbraw/zinc/20/03/69/241200369.db2.gz KXRLWZPECVHYHJ-WMZOPIPTSA-N 1 3 331.504 2.420 10 0 EEAEHO C[C@H]1[C@H](CO)CC[N@H+]1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000425998673 241200374 /nfs/dbraw/zinc/20/03/74/241200374.db2.gz KXRLWZPECVHYHJ-WMZOPIPTSA-N 1 3 331.504 2.420 10 0 EEAEHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000246219994 205184973 /nfs/dbraw/zinc/18/49/73/205184973.db2.gz GPLRUKPWJIFCEY-QYZOEREBSA-N 1 3 329.488 2.484 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000176139118 285271837 /nfs/dbraw/zinc/27/18/37/285271837.db2.gz RGPWXEUPGKMPRD-ROUUACIJSA-N 1 3 332.492 2.415 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000176139118 285271838 /nfs/dbraw/zinc/27/18/38/285271838.db2.gz RGPWXEUPGKMPRD-ROUUACIJSA-N 1 3 332.492 2.415 10 0 EEAEHO c1ccc(CN2CC[C@H]([NH+]3CCC(CN4CCOCC4)CC3)C2)cc1 ZINC000271325873 256233444 /nfs/dbraw/zinc/23/34/44/256233444.db2.gz YHLHSAOWASSCNC-NRFANRHFSA-N 1 3 343.515 2.305 10 0 EEAEHO CCC[C@@](C)(N)C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000262699784 152307431 /nfs/dbraw/zinc/30/74/31/152307431.db2.gz GXPLTRXETOKTIK-GOSISDBHSA-N 1 3 327.513 2.101 10 0 EEAEHO CCC[C@@](C)(N)C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000262699784 152307435 /nfs/dbraw/zinc/30/74/35/152307435.db2.gz GXPLTRXETOKTIK-GOSISDBHSA-N 1 3 327.513 2.101 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)c1cccnc1 ZINC000359929013 164198573 /nfs/dbraw/zinc/19/85/73/164198573.db2.gz CGAUVKYHOLSCOR-MJGOQNOKSA-N 1 3 346.519 2.450 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)c1cccnc1 ZINC000359929013 164198574 /nfs/dbraw/zinc/19/85/74/164198574.db2.gz CGAUVKYHOLSCOR-MJGOQNOKSA-N 1 3 346.519 2.450 10 0 EEAEHO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000368615672 166091569 /nfs/dbraw/zinc/09/15/69/166091569.db2.gz QUZAPYIHLQVZGB-QRVBRYPASA-N 1 3 329.488 2.498 10 0 EEAEHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000342344182 288117046 /nfs/dbraw/zinc/11/70/46/288117046.db2.gz HHGVCDRWIZQMSQ-NJAFHUGGSA-N 1 3 334.508 2.129 10 0 EEAEHO CN(C)C[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)c2ccccc2O1 ZINC000361710317 289217332 /nfs/dbraw/zinc/21/73/32/289217332.db2.gz IAQQTPPAHSFAMV-INIZCTEOSA-N 1 3 325.412 2.115 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000281182930 292739460 /nfs/dbraw/zinc/73/94/60/292739460.db2.gz LXJLOOJWVGPJPB-IBGZPJMESA-N 1 3 346.519 2.287 10 0 EEAEHO CCSCC[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414556712 313040808 /nfs/dbraw/zinc/04/08/08/313040808.db2.gz OSYYBHADVHNRKN-UHFFFAOYSA-N 1 3 335.517 2.227 10 0 EEAEHO FC(F)(F)COc1ccccc1CNCCCN1CC[NH2+]CC1 ZINC000414782879 313087661 /nfs/dbraw/zinc/08/76/61/313087661.db2.gz PPYVLIQJSIZLCJ-UHFFFAOYSA-N 1 3 331.382 2.013 10 0 EEAEHO COC(=O)CCn1nc(C)c(CNCc2ccc([C@H](C)[NH3+])cc2)c1C ZINC000414816100 313096223 /nfs/dbraw/zinc/09/62/23/313096223.db2.gz ZITCVHHTPFDRIK-ZDUSSCGKSA-N 1 3 344.459 2.373 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417176133 313441550 /nfs/dbraw/zinc/44/15/50/313441550.db2.gz BXDMJDGJDBAQIF-GUDVDZBRSA-N 1 3 346.519 2.224 10 0 EEAEHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CCC[NH+](C)C)C1 ZINC000543641096 318164613 /nfs/dbraw/zinc/16/46/13/318164613.db2.gz YCFLOCGGVSEEJW-FUHWJXTLSA-N 1 3 332.492 2.415 10 0 EEAEHO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000552207956 318503285 /nfs/dbraw/zinc/50/32/85/318503285.db2.gz NBIUKHKBDRSECS-IBGZPJMESA-N 1 3 347.503 2.105 10 0 EEAEHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000564310246 319077514 /nfs/dbraw/zinc/07/75/14/319077514.db2.gz VTHZGBBNCUOJNN-RDJZCZTQSA-N 1 3 332.492 2.194 10 0 EEAEHO COc1ncccc1CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566088805 319242854 /nfs/dbraw/zinc/24/28/54/319242854.db2.gz PYEYABPJMUFPEO-FXAWDEMLSA-N 1 3 339.439 2.478 10 0 EEAEHO CN1CCN(C)[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000566215844 319260955 /nfs/dbraw/zinc/26/09/55/319260955.db2.gz XSWPXJGPLUADHR-VQTJNVASSA-N 1 3 342.531 2.019 10 0 EEAEHO CN1CCN(C)[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000566215844 319260956 /nfs/dbraw/zinc/26/09/56/319260956.db2.gz XSWPXJGPLUADHR-VQTJNVASSA-N 1 3 342.531 2.019 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)[C@H]1c1ccccc1 ZINC000580532894 324081538 /nfs/dbraw/zinc/08/15/38/324081538.db2.gz NOCPBMVJUQOOSD-NSHGMRRFSA-N 1 3 342.487 2.217 10 0 EEAEHO Cc1nccn1-c1ccc([C@H](C)NC[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351612804 465250565 /nfs/dbraw/zinc/25/05/65/465250565.db2.gz YCDYZVNZIAHEBW-LIRRHRJNSA-N 1 3 328.460 2.286 10 0 EEAEHO Cc1nccn1-c1ccc([C@H](C)NC[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351612804 465250573 /nfs/dbraw/zinc/25/05/73/465250573.db2.gz YCDYZVNZIAHEBW-LIRRHRJNSA-N 1 3 328.460 2.286 10 0 EEAEHO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)CN(C)C2CC2)cc1 ZINC000351612804 465250578 /nfs/dbraw/zinc/25/05/78/465250578.db2.gz YCDYZVNZIAHEBW-LIRRHRJNSA-N 1 3 328.460 2.286 10 0 EEAEHO Cc1c(NC(=O)N(CCN(C)C)CC[NH+](C)C)cccc1N(C)C ZINC000133412074 462928715 /nfs/dbraw/zinc/92/87/15/462928715.db2.gz WCLRBKQWRLKNIJ-UHFFFAOYSA-N 1 3 335.496 2.018 10 0 EEAEHO CCC[NH+]1CCC(CNC(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000157685982 463157434 /nfs/dbraw/zinc/15/74/34/463157434.db2.gz RFWRMAQOIJFCEB-UHFFFAOYSA-N 1 3 345.491 2.035 10 0 EEAEHO C[C@H](O)C[NH+]1CCC(CNCc2c(Cl)nc3sccn23)CC1 ZINC000069370679 463235765 /nfs/dbraw/zinc/23/57/65/463235765.db2.gz AQXZMSBIGOPCDA-NSHDSACASA-N 1 3 342.896 2.232 10 0 EEAEHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CN(C)C)c2ccccc2)C1 ZINC000054509977 463239922 /nfs/dbraw/zinc/23/99/22/463239922.db2.gz KRWBVTWZINJVHG-WMZOPIPTSA-N 1 3 332.492 2.320 10 0 EEAEHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](CN(C)C)c2ccccc2)C1 ZINC000054509977 463239926 /nfs/dbraw/zinc/23/99/26/463239926.db2.gz KRWBVTWZINJVHG-WMZOPIPTSA-N 1 3 332.492 2.320 10 0 EEAEHO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000058274414 463564832 /nfs/dbraw/zinc/56/48/32/463564832.db2.gz MGMHYPKPSLMYEB-INIZCTEOSA-N 1 3 333.476 2.089 10 0 EEAEHO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2OCCN(C)C)C1 ZINC000058274414 463564838 /nfs/dbraw/zinc/56/48/38/463564838.db2.gz MGMHYPKPSLMYEB-INIZCTEOSA-N 1 3 333.476 2.089 10 0 EEAEHO CC1CC[NH+](CCNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000179121358 464061364 /nfs/dbraw/zinc/06/13/64/464061364.db2.gz NXFZRCKYFNNZNR-RTBURBONSA-N 1 3 344.503 2.463 10 0 EEAEHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179189264 464077697 /nfs/dbraw/zinc/07/76/97/464077697.db2.gz MATCEYBAIZQSFH-KBAYOESNSA-N 1 3 332.492 2.461 10 0 EEAEHO CN1CC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccccc1 ZINC000245627690 464500598 /nfs/dbraw/zinc/50/05/98/464500598.db2.gz GYOJMLQHBHCJBF-RTBURBONSA-N 1 3 342.487 2.358 10 0 EEAEHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245647895 464501770 /nfs/dbraw/zinc/50/17/70/464501770.db2.gz MATCEYBAIZQSFH-NJAFHUGGSA-N 1 3 332.492 2.461 10 0 EEAEHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2OCC(=O)N(C)C)[C@@H](C)C1 ZINC000245697852 464508172 /nfs/dbraw/zinc/50/81/72/464508172.db2.gz CPYVBDCTHUKRIQ-WMZOPIPTSA-N 1 3 347.503 2.316 10 0 EEAEHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2OCC(=O)N(C)C)[C@@H](C)C1 ZINC000245697852 464508180 /nfs/dbraw/zinc/50/81/80/464508180.db2.gz CPYVBDCTHUKRIQ-WMZOPIPTSA-N 1 3 347.503 2.316 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000246479236 464590134 /nfs/dbraw/zinc/59/01/34/464590134.db2.gz QRJYLXIXEDILSL-QZTJIDSGSA-N 1 3 334.508 2.010 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000246479236 464590139 /nfs/dbraw/zinc/59/01/39/464590139.db2.gz QRJYLXIXEDILSL-QZTJIDSGSA-N 1 3 334.508 2.010 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298964172 465552153 /nfs/dbraw/zinc/55/21/53/465552153.db2.gz YKBPLTZINFMRCF-FHWLQOOXSA-N 1 3 344.503 2.085 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298964172 465552158 /nfs/dbraw/zinc/55/21/58/465552158.db2.gz YKBPLTZINFMRCF-FHWLQOOXSA-N 1 3 344.503 2.085 10 0 EEAEHO CN1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000339937277 465617668 /nfs/dbraw/zinc/61/76/68/465617668.db2.gz PFORCWSIUZKOPF-IBGZPJMESA-N 1 3 344.503 2.388 10 0 EEAEHO CN1CCCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000339937277 465617673 /nfs/dbraw/zinc/61/76/73/465617673.db2.gz PFORCWSIUZKOPF-IBGZPJMESA-N 1 3 344.503 2.388 10 0 EEAEHO CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000344595780 465704885 /nfs/dbraw/zinc/70/48/85/465704885.db2.gz FFKYQLUPCWMMOB-SFHVURJKSA-N 1 3 347.503 2.477 10 0 EEAEHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000357348119 465971008 /nfs/dbraw/zinc/97/10/08/465971008.db2.gz MKOHBYOYHWKYTO-IRXDYDNUSA-N 1 3 339.524 2.257 10 0 EEAEHO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000349859118 466277583 /nfs/dbraw/zinc/27/75/83/466277583.db2.gz UPJNNIHWRWTVPP-INIZCTEOSA-N 1 3 348.491 2.399 10 0 EEAEHO CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000349859118 466277591 /nfs/dbraw/zinc/27/75/91/466277591.db2.gz UPJNNIHWRWTVPP-INIZCTEOSA-N 1 3 348.491 2.399 10 0 EEAEHO C[C@@H](N[C@@H]1CNCCC1(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000423472778 466755148 /nfs/dbraw/zinc/75/51/48/466755148.db2.gz IDJFTNIAUFQIKB-CZUORRHYSA-N 1 3 327.419 2.275 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000417221158 466807897 /nfs/dbraw/zinc/80/78/97/466807897.db2.gz NKIFULHNYQWKAR-BVBHFADKSA-N 1 3 342.487 2.215 10 0 EEAEHO C[C@@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N(C)Cc1ccccc1 ZINC000417590437 466890018 /nfs/dbraw/zinc/89/00/18/466890018.db2.gz RFRQZTILDIBXGY-FXAWDEMLSA-N 1 3 344.503 2.292 10 0 EEAEHO CCC[NH2+]CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417728953 466918362 /nfs/dbraw/zinc/91/83/62/466918362.db2.gz BJUMBXVUDHNXOE-GOEBONIOSA-N 1 3 338.521 2.430 10 0 EEAEHO C[NH2+]C[C@H](C)CNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417734320 466919812 /nfs/dbraw/zinc/91/98/12/466919812.db2.gz JYILTUXYXZYMNH-SQWLQELKSA-N 1 3 338.521 2.286 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417979709 467009670 /nfs/dbraw/zinc/00/96/70/467009670.db2.gz JHKOCQZXFQASFL-QRQLOZEOSA-N 1 3 344.503 2.148 10 0 EEAEHO C[C@]1(CNC(=O)N2CC[C@@](C)(C[NH3+])C2)CCCN1Cc1ccccc1 ZINC000418042523 467032349 /nfs/dbraw/zinc/03/23/49/467032349.db2.gz LVCCBTUPRTYWRK-VQTJNVASSA-N 1 3 344.503 2.421 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000418572811 467130498 /nfs/dbraw/zinc/13/04/98/467130498.db2.gz KRDXOFGPLOQZJW-ZIFCJYIRSA-N 1 3 344.503 2.290 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000418611244 467135541 /nfs/dbraw/zinc/13/55/41/467135541.db2.gz HCHKQKVVJSAQGL-ZIFCJYIRSA-N 1 3 344.503 2.290 10 0 EEAEHO CN1CCCN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000430208351 467408631 /nfs/dbraw/zinc/40/86/31/467408631.db2.gz UQWWWAPZZUKQEA-HXUWFJFHSA-N 1 3 344.503 2.388 10 0 EEAEHO CN1CCCN(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000430208351 467408635 /nfs/dbraw/zinc/40/86/35/467408635.db2.gz UQWWWAPZZUKQEA-HXUWFJFHSA-N 1 3 344.503 2.388 10 0 EEAEHO C[C@H](CNC(=O)c1ccccc1CC[NH3+])N(C)Cc1ccccc1 ZINC000390774122 467411508 /nfs/dbraw/zinc/41/15/08/467411508.db2.gz LRTWKIUWYPRDDX-MRXNPFEDSA-N 1 3 325.456 2.438 10 0 EEAEHO CCN1CCC([N@@H+]2CCCN([C@@H](C)c3cnc(C)cn3)CC2)CC1 ZINC000420975285 467524303 /nfs/dbraw/zinc/52/43/03/467524303.db2.gz FNMRWJDPGGDYIU-KRWDZBQOSA-N 1 3 331.508 2.338 10 0 EEAEHO CCN1CCC([N@H+]2CCCN([C@@H](C)c3cnc(C)cn3)CC2)CC1 ZINC000420975285 467524306 /nfs/dbraw/zinc/52/43/06/467524306.db2.gz FNMRWJDPGGDYIU-KRWDZBQOSA-N 1 3 331.508 2.338 10 0 EEAEHO CC[NH+]1CCC(N2CCCN([C@@H](C)c3cnc(C)cn3)CC2)CC1 ZINC000420975285 467524308 /nfs/dbraw/zinc/52/43/08/467524308.db2.gz FNMRWJDPGGDYIU-KRWDZBQOSA-N 1 3 331.508 2.338 10 0 EEAEHO C[C@@H](CN1CCOCC1)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449080963 467616916 /nfs/dbraw/zinc/61/69/16/467616916.db2.gz ARSUAFNBIHOSBT-OALUTQOASA-N 1 3 345.531 2.392 10 0 EEAEHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccco1 ZINC000516916581 468055678 /nfs/dbraw/zinc/05/56/78/468055678.db2.gz VQEGIMNDBZZLIH-FRQCXROJSA-N 1 3 348.491 2.494 10 0 EEAEHO CN1CCN(CCCC[NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000519856089 468222548 /nfs/dbraw/zinc/22/25/48/468222548.db2.gz DAEFNEDYKAATCT-UHFFFAOYSA-N 1 3 331.504 2.351 10 0 EEAEHO CCC[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)CCN1CCOC ZINC000520416632 468250041 /nfs/dbraw/zinc/25/00/41/468250041.db2.gz MTZOQLUCEVQOCH-FQEVSTJZSA-N 1 3 331.504 2.265 10 0 EEAEHO CCOC(=O)CC(C)(C)CCN1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184791 468649321 /nfs/dbraw/zinc/64/93/21/468649321.db2.gz QZKHTHBNSXSDJU-UHFFFAOYSA-N 1 3 326.481 2.153 10 0 EEAEHO C[C@H](CSCCF)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000595031218 468746191 /nfs/dbraw/zinc/74/61/91/468746191.db2.gz ATVRYEWEABVYFB-PBHICJAKSA-N 1 3 326.481 2.434 10 0 EEAEHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000572346934 468919701 /nfs/dbraw/zinc/91/97/01/468919701.db2.gz GNDOMZRPCIMAJZ-FQLMCAECSA-N 1 3 336.505 2.262 10 0 EEAEHO CN(C(=O)N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000612977861 469597919 /nfs/dbraw/zinc/59/79/19/469597919.db2.gz RCHWUJQEVMYBJY-QZTJIDSGSA-N 1 3 342.487 2.044 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000626995373 469781494 /nfs/dbraw/zinc/78/14/94/469781494.db2.gz SVOVNSBJBYDCBJ-CYGHRXIMSA-N 1 3 330.476 2.089 10 0 EEAEHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@@H]1CCCCO1 ZINC000623881340 469787289 /nfs/dbraw/zinc/78/72/89/469787289.db2.gz KTRPTOFBWHLCSD-MJGOQNOKSA-N 1 3 332.492 2.141 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)C[NH2+]1 ZINC000627209753 469845943 /nfs/dbraw/zinc/84/59/43/469845943.db2.gz INNVANKRWAPEOC-NEWSRXKRSA-N 1 3 344.503 2.085 10 0 EEAEHO NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000624132616 469850672 /nfs/dbraw/zinc/85/06/72/469850672.db2.gz UPZHUAOAROKKPX-VPAKFMSCSA-N 1 3 327.472 2.141 10 0 EEAEHO CN(C)[C@H](CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000620976682 469966024 /nfs/dbraw/zinc/96/60/24/469966024.db2.gz KQPJEVFCFJSQPM-RBUKOAKNSA-N 1 3 347.503 2.249 10 0 EEAEHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ocnc1C(F)F ZINC000625027648 470063185 /nfs/dbraw/zinc/06/31/85/470063185.db2.gz TZTUIMCBKWYABD-LBPRGKRZSA-N 1 3 344.406 2.100 10 0 EEAEHO CN(C)CCNC(=O)c1cccc(C[NH2+]C[C@@]2(C)CCCS2)c1 ZINC000628211478 470076896 /nfs/dbraw/zinc/07/68/96/470076896.db2.gz RXGXCYUWDOOMMM-GOSISDBHSA-N 1 3 335.517 2.353 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000625285767 470112273 /nfs/dbraw/zinc/11/22/73/470112273.db2.gz GNLIXCPDHDYBOQ-ROUUACIJSA-N 1 3 335.467 2.271 10 0 EEAEHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@H](O)CC1(O)CCC1 ZINC000625284981 470112320 /nfs/dbraw/zinc/11/23/20/470112320.db2.gz ODNBTLYCFFPHOU-LJQANCHMSA-N 1 3 347.503 2.286 10 0 EEAEHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@H](O)CC1(O)CCC1 ZINC000625284981 470112322 /nfs/dbraw/zinc/11/23/22/470112322.db2.gz ODNBTLYCFFPHOU-LJQANCHMSA-N 1 3 347.503 2.286 10 0 EEAEHO C[NH+]1CCC2(CC1)CN(CCCOCCc1ccccc1)CCO2 ZINC000646103408 470527184 /nfs/dbraw/zinc/52/71/84/470527184.db2.gz FKRGXQSGTRAQMD-UHFFFAOYSA-N 1 3 332.488 2.432 10 0 EEAEHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)COC2CCC([NH3+])CC2)C1 ZINC000646105729 470529755 /nfs/dbraw/zinc/52/97/55/470529755.db2.gz FLYJXXWKHJIEEI-XBMUEBEBSA-N 1 3 345.487 2.006 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CN1Cc1ccccc1 ZINC000654486486 471037442 /nfs/dbraw/zinc/03/74/42/471037442.db2.gz SEGWCYFMELDFSR-OWYHZJEWSA-N 1 3 344.503 2.289 10 0 EEAEHO CCCN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCN(C)C1 ZINC000645198244 471173140 /nfs/dbraw/zinc/17/31/40/471173140.db2.gz PIQDGRFEMARAQN-MOPGFXCFSA-N 1 3 346.519 2.285 10 0 EEAEHO Cn1ccnc1[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000658067966 471264036 /nfs/dbraw/zinc/26/40/36/471264036.db2.gz SWNMAIZNDBWSSA-SFHVURJKSA-N 1 3 332.492 2.352 10 0 EEAEHO C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000652291208 471267784 /nfs/dbraw/zinc/26/77/84/471267784.db2.gz JKABCLDZXYORSW-LJQANCHMSA-N 1 3 330.476 2.033 10 0 EEAEHO O=C1CC[C@@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)N1 ZINC000658257954 471281134 /nfs/dbraw/zinc/28/11/34/471281134.db2.gz UXESCRKNIDTKFI-WJFTUGDTSA-N 1 3 327.472 2.298 10 0 EEAEHO O=C1CC[C@@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)N1 ZINC000658257954 471281137 /nfs/dbraw/zinc/28/11/37/471281137.db2.gz UXESCRKNIDTKFI-WJFTUGDTSA-N 1 3 327.472 2.298 10 0 EEAEHO C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CS1 ZINC000655730899 471460031 /nfs/dbraw/zinc/46/00/31/471460031.db2.gz VSVOCTNAAWDRRF-YOEHRIQHSA-N 1 3 335.517 2.352 10 0 EEAEHO C[C@H](CCNC(=O)N[C@H](CN)C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000655923457 471542676 /nfs/dbraw/zinc/54/26/76/471542676.db2.gz YOZNWRVBFRNQQC-TZMCWYRMSA-N 1 3 346.397 2.086 10 0 EEAEHO C[C@H](CCNC(=O)N[C@H](CN)C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000655923457 471542684 /nfs/dbraw/zinc/54/26/84/471542684.db2.gz YOZNWRVBFRNQQC-TZMCWYRMSA-N 1 3 346.397 2.086 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000655965051 471558607 /nfs/dbraw/zinc/55/86/07/471558607.db2.gz LQTFLHOCPOBUNE-MDASCCDHSA-N 1 3 340.471 2.479 10 0 EEAEHO FC(F)(F)[C@@H](CNCc1cccc2cnccc21)N1CC[NH2+]CC1 ZINC000666899037 471578208 /nfs/dbraw/zinc/57/82/08/471578208.db2.gz LHTPGSUXHKODEX-MRXNPFEDSA-N 1 3 338.377 2.161 10 0 EEAEHO C[C@@H](CN1CCC(C)CC1)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000661108657 471629817 /nfs/dbraw/zinc/62/98/17/471629817.db2.gz BVRQQAMHMRNOKP-AOCRQIFASA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2ccccc2C1 ZINC000664315495 471716909 /nfs/dbraw/zinc/71/69/09/471716909.db2.gz FBIABIXWXZQZFI-INIZCTEOSA-N 1 3 332.492 2.026 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2ccccc2C1 ZINC000664315495 471716917 /nfs/dbraw/zinc/71/69/17/471716917.db2.gz FBIABIXWXZQZFI-INIZCTEOSA-N 1 3 332.492 2.026 10 0 EEAEHO CC(C)N1CCN(CCC[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000661781694 471882217 /nfs/dbraw/zinc/88/22/17/471882217.db2.gz GUCLEOCYEUBYMX-UXHICEINSA-N 1 3 347.551 2.137 10 0 EEAEHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(F)s1 ZINC000667811997 471916992 /nfs/dbraw/zinc/91/69/92/471916992.db2.gz ALULZHMVWBXOHJ-CYBMUJFWSA-N 1 3 327.469 2.375 10 0 EEAEHO CCS(=O)(=O)Nc1ccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665281169 471989261 /nfs/dbraw/zinc/98/92/61/471989261.db2.gz WKQBTWXGZAVYGR-XJKSGUPXSA-N 1 3 327.494 2.472 10 0 EEAEHO COc1ccc([C@@H]2CCCN2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1OC ZINC000662249372 472041298 /nfs/dbraw/zinc/04/12/98/472041298.db2.gz ULWRTAYNZBGQDX-HOTGVXAUSA-N 1 3 332.444 2.362 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000665758731 472173631 /nfs/dbraw/zinc/17/36/31/472173631.db2.gz NKEKIYPBBQPWTD-YESZJQIVSA-N 1 3 326.529 2.479 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000665758731 472173632 /nfs/dbraw/zinc/17/36/32/472173632.db2.gz NKEKIYPBBQPWTD-YESZJQIVSA-N 1 3 326.529 2.479 10 0 EEAEHO CC(C)(N)c1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000662659887 472191627 /nfs/dbraw/zinc/19/16/27/472191627.db2.gz WOXYXMQOGGNESR-UHFFFAOYSA-N 1 3 342.443 2.263 10 0 EEAEHO Cc1ccc([C@@H](CNC(=O)c2cc(C(C)(C)N)no2)[NH+](C)C)cc1 ZINC000662692000 472209572 /nfs/dbraw/zinc/20/95/72/472209572.db2.gz UQULMHZEXUYCBG-CQSZACIVSA-N 1 3 330.432 2.210 10 0 EEAEHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C2(NC3CC3)CCC2)cc1 ZINC000662698553 472212909 /nfs/dbraw/zinc/21/29/09/472212909.db2.gz OCGDFRDSKADYAP-UHFFFAOYSA-N 1 3 344.459 2.190 10 0 EEAEHO CSc1ccc([C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)N(C)C)cc1 ZINC000583094878 485579124 /nfs/dbraw/zinc/57/91/24/485579124.db2.gz XRAQKNMIPDEOKK-YOEHRIQHSA-N 1 3 335.517 2.469 10 0 EEAEHO CSc1ccc([C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)N(C)C)cc1 ZINC000583094878 485579131 /nfs/dbraw/zinc/57/91/31/485579131.db2.gz XRAQKNMIPDEOKK-YOEHRIQHSA-N 1 3 335.517 2.469 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C1CCC(C)CC1 ZINC000665637958 485613226 /nfs/dbraw/zinc/61/32/26/485613226.db2.gz USAMYVYAQSDTNS-CGZBRXJRSA-N 1 3 326.529 2.479 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C1CCC(C)CC1 ZINC000665637958 485613231 /nfs/dbraw/zinc/61/32/31/485613231.db2.gz USAMYVYAQSDTNS-CGZBRXJRSA-N 1 3 326.529 2.479 10 0 EEAEHO C[NH2+]Cc1cc(Br)cnc1N1CCN(CC2CC2)CC1 ZINC000051521438 536468677 /nfs/dbraw/zinc/46/86/77/536468677.db2.gz WLIZVCVFGNAZOS-UHFFFAOYSA-N 1 3 339.281 2.096 10 0 EEAEHO CCN1CC[C@H]2OCCN(C(=O)C[C@H](c3ccccc3)[NH+](C)C)[C@H]2C1 ZINC000416239464 527899856 /nfs/dbraw/zinc/89/98/56/527899856.db2.gz KWTHZDRJZZBLAM-CEXWTWQISA-N 1 3 345.487 2.001 10 0 EEAEHO CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000495095965 534968775 /nfs/dbraw/zinc/96/87/75/534968775.db2.gz YWWQUECFFUKGHL-ROUUACIJSA-N 1 3 329.488 2.198 10 0 EEAEHO CCC[NH+]1CCC(CNC(=S)NC[C@@H]2CCCN2CC)CC1 ZINC000748596863 576353863 /nfs/dbraw/zinc/35/38/63/576353863.db2.gz JCULWJPAPNJVSK-INIZCTEOSA-N 1 3 326.554 2.057 10 0 EEAEHO CN(C)CCNC(=S)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728446329 576501457 /nfs/dbraw/zinc/50/14/57/576501457.db2.gz RHUIPWRJCYVGNS-MRXNPFEDSA-N 1 3 326.554 2.011 10 0 EEAEHO Cn1nc2c(c1CN1CC[C@H](C3CC[NH+](C)CC3)C1)CSCC2 ZINC000894779546 683087626 /nfs/dbraw/zinc/08/76/26/683087626.db2.gz HTKCZTAWVRNVKR-HNNXBMFYSA-N 1 3 334.533 2.373 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[N@@H+]1C ZINC000914181879 683340339 /nfs/dbraw/zinc/34/03/39/683340339.db2.gz ANDRROBKMOUJDL-QAPCUYQASA-N 1 3 344.503 2.215 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[N@H+]1C ZINC000914181879 683340344 /nfs/dbraw/zinc/34/03/44/683340344.db2.gz ANDRROBKMOUJDL-QAPCUYQASA-N 1 3 344.503 2.215 10 0 EEAEHO CCCn1cc([C@H](C)NCC2(N3CCCCC3)CC[NH+](C)CC2)nn1 ZINC000902822196 694181920 /nfs/dbraw/zinc/18/19/20/694181920.db2.gz RYHBSWMEDMDUSD-KRWDZBQOSA-N 1 3 348.539 2.289 10 0 EEAEHO CCCn1cc([C@H](C)NCC2([NH+]3CCCCC3)CCN(C)CC2)nn1 ZINC000902822196 694181923 /nfs/dbraw/zinc/18/19/23/694181923.db2.gz RYHBSWMEDMDUSD-KRWDZBQOSA-N 1 3 348.539 2.289 10 0 EEAEHO C[C@H](CCC[NH2+]Cc1cncc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001485724229 1191910840 /nfs/dbraw/zinc/91/08/40/1191910840.db2.gz MUANEJYDGGAHLY-CQSZACIVSA-N 1 3 336.455 2.080 10 0 EEAEHO CN(CC[NH2+]CCCc1ccccc1Cl)C(=O)[C@H]1CCCN1C ZINC001266659266 1177073954 /nfs/dbraw/zinc/07/39/54/1177073954.db2.gz CCGWNTZSPIMWKP-QGZVFWFLSA-N 1 3 337.895 2.415 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(OC)cc1 ZINC001267117406 1178280937 /nfs/dbraw/zinc/28/09/37/1178280937.db2.gz RZJIASAZNASCBJ-GOSISDBHSA-N 1 3 333.476 2.118 10 0 EEAEHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[N@@H+]1C[C@@H]1CCCOC1 ZINC001267181874 1178441693 /nfs/dbraw/zinc/44/16/93/1178441693.db2.gz PMKAUFRCKJMBLT-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[N@H+]1C[C@@H]1CCCOC1 ZINC001267181874 1178441698 /nfs/dbraw/zinc/44/16/98/1178441698.db2.gz PMKAUFRCKJMBLT-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO C[NH+](C)CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC(F)(F)C1 ZINC001267432091 1178999573 /nfs/dbraw/zinc/99/95/73/1178999573.db2.gz FAXVYQLZKKJFEO-IYBDPMFKSA-N 1 3 343.462 2.439 10 0 EEAEHO CN(CCNCc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267468791 1179089636 /nfs/dbraw/zinc/08/96/36/1179089636.db2.gz CPFYRIRMBXGPGD-ZDUSSCGKSA-N 1 3 344.286 2.493 10 0 EEAEHO CN(CCNCc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267468791 1179089641 /nfs/dbraw/zinc/08/96/41/1179089641.db2.gz CPFYRIRMBXGPGD-ZDUSSCGKSA-N 1 3 344.286 2.493 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCOc1cccc(C)c1 ZINC001267474697 1179107345 /nfs/dbraw/zinc/10/73/45/1179107345.db2.gz SKXFEJLBJYIJMH-LJQANCHMSA-N 1 3 347.503 2.296 10 0 EEAEHO Cc1cncc(C[NH2+]CCC2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC001267919427 1180764618 /nfs/dbraw/zinc/76/46/18/1180764618.db2.gz YQWQNVKNBULPJS-UHFFFAOYSA-N 1 3 344.503 2.204 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)CCCCCF)C2)C1 ZINC001481498608 1181572793 /nfs/dbraw/zinc/57/27/93/1181572793.db2.gz QOQBCJNPBLOBEK-SJORKVTESA-N 1 3 327.488 2.248 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)CCCCCF)C2)C1 ZINC001481498608 1181572798 /nfs/dbraw/zinc/57/27/98/1181572798.db2.gz QOQBCJNPBLOBEK-SJORKVTESA-N 1 3 327.488 2.248 10 0 EEAEHO Cc1cc(CN2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@H]32)on1 ZINC001268272765 1182122508 /nfs/dbraw/zinc/12/25/08/1182122508.db2.gz VWXDSKVVVGRMPO-SJLPKXTDSA-N 1 3 348.491 2.138 10 0 EEAEHO CCN(CC[NH2+]Cc1sc(C)nc1C)C(=O)[C@H]1CCCCN1C ZINC001268463071 1182765084 /nfs/dbraw/zinc/76/50/84/1182765084.db2.gz UXXLQIZTWPFVCI-OAHLLOKOSA-N 1 3 338.521 2.182 10 0 EEAEHO Cc1cncc(C[NH2+]CCC2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC001481996422 1183102909 /nfs/dbraw/zinc/10/29/09/1183102909.db2.gz GAADXMLBSQIMDD-IBGZPJMESA-N 1 3 344.503 2.203 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCOC2CCC2)CC1)N(C)C ZINC001482027157 1183155874 /nfs/dbraw/zinc/15/58/74/1183155874.db2.gz ZKKFRKCEGNPIQT-JFIYKMOQSA-N 1 3 339.524 2.159 10 0 EEAEHO Cc1cncc(CNC/C=C\CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001268542519 1183214495 /nfs/dbraw/zinc/21/44/95/1183214495.db2.gz QVCKKJJNKGKXJM-XDXAGZTOSA-N 1 3 330.476 2.025 10 0 EEAEHO Cc1cncc(CNC/C=C\CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001268542519 1183214499 /nfs/dbraw/zinc/21/44/99/1183214499.db2.gz QVCKKJJNKGKXJM-XDXAGZTOSA-N 1 3 330.476 2.025 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@H](CNCc1cncs1)C1CCCCC1 ZINC001482408078 1185636058 /nfs/dbraw/zinc/63/60/58/1185636058.db2.gz BFUNYHGKUWDBQM-MRXNPFEDSA-N 1 3 338.521 2.250 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC1CC(F)(F)C1 ZINC001482446086 1185761919 /nfs/dbraw/zinc/76/19/19/1185761919.db2.gz ONCLQGVRSORDJY-HOTGVXAUSA-N 1 3 343.462 2.487 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1([NH2+]CCCC(C)(C)C)CCOCC1 ZINC001271086397 1185870696 /nfs/dbraw/zinc/87/06/96/1185870696.db2.gz MDHBOAUESRFTQC-UHFFFAOYSA-N 1 3 341.540 2.408 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cccnc1 ZINC001482464399 1185949265 /nfs/dbraw/zinc/94/92/65/1185949265.db2.gz YJBPSXPMCVISGU-GOSISDBHSA-N 1 3 332.492 2.284 10 0 EEAEHO COCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001482468104 1185972306 /nfs/dbraw/zinc/97/23/06/1185972306.db2.gz IWLOZIWQENBMQQ-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1csc(CNCC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)n1 ZINC001271576834 1186319841 /nfs/dbraw/zinc/31/98/41/1186319841.db2.gz PMPPMXUYXPUSSW-HNNXBMFYSA-N 1 3 338.521 2.264 10 0 EEAEHO CCOCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001482502909 1186422120 /nfs/dbraw/zinc/42/21/20/1186422120.db2.gz WNZUUFCNMSEOMR-SFHVURJKSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001482502909 1186422124 /nfs/dbraw/zinc/42/21/24/1186422124.db2.gz 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CCN(CCNCc1c(C)nsc1C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482949216 1187888981 /nfs/dbraw/zinc/88/89/81/1187888981.db2.gz UJYHKSPLYYQZLT-UHFFFAOYSA-N 1 3 338.521 2.040 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cccc(COC)c1 ZINC001691623534 1188323648 /nfs/dbraw/zinc/32/36/48/1188323648.db2.gz ZXPBHMYCMSDQKI-LJQANCHMSA-N 1 3 347.503 2.255 10 0 EEAEHO C[C@H](CNCc1sccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483128631 1188606436 /nfs/dbraw/zinc/60/64/36/1188606436.db2.gz HYFIZRYDQSSZRW-IJLUTSLNSA-N 1 3 329.897 2.336 10 0 EEAEHO C[C@H](CNCc1sccc1Cl)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483128631 1188606437 /nfs/dbraw/zinc/60/64/37/1188606437.db2.gz HYFIZRYDQSSZRW-IJLUTSLNSA-N 1 3 329.897 2.336 10 0 EEAEHO C[C@H](C[NH2+]Cc1ccc(Cl)c(F)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001483167349 1189003381 /nfs/dbraw/zinc/00/33/81/1189003381.db2.gz ZAHRIEZZFCXZKM-CHWSQXEVSA-N 1 3 341.858 2.415 10 0 EEAEHO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001409343564 1189551055 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2.033 10 0 EEAEHO O=C(CN1CCCC1)N1CC[C@@H](CC[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001484549538 1191409391 /nfs/dbraw/zinc/40/93/91/1191409391.db2.gz KATRYZQUBBQKKC-CVEARBPZSA-N 1 3 343.462 2.346 10 0 EEAEHO CC(C)N(C)CC(=O)NCc1cccc2c1CC[N@H+](CCCF)C2 ZINC001484612069 1191437082 /nfs/dbraw/zinc/43/70/82/1191437082.db2.gz GBXLMJPPUUBIBU-UHFFFAOYSA-N 1 3 335.467 2.361 10 0 EEAEHO CC(C)N(C)CC(=O)NCc1cccc2c1CC[N@@H+](CCCF)C2 ZINC001484612069 1191437084 /nfs/dbraw/zinc/43/70/84/1191437084.db2.gz GBXLMJPPUUBIBU-UHFFFAOYSA-N 1 3 335.467 2.361 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCCCOC)CC1 ZINC001484717365 1191481046 /nfs/dbraw/zinc/48/10/46/1191481046.db2.gz WLENKWYARSSHKX-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCCOC)CC1 ZINC001484717365 1191481048 /nfs/dbraw/zinc/48/10/48/1191481048.db2.gz WLENKWYARSSHKX-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO Cc1cccnc1CN[C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485197767 1191682608 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329.488 2.452 10 0 EEAEHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(C2CC2)cc1 ZINC001485384791 1191769489 /nfs/dbraw/zinc/76/94/89/1191769489.db2.gz ZCXICIYXVPMBNM-BEFAXECRSA-N 1 3 329.488 2.452 10 0 EEAEHO Cc1cnc([C@@H](C)NCC2(NC(=O)CC[NH+](C)C)CCCCC2)cn1 ZINC001485455065 1191791738 /nfs/dbraw/zinc/79/17/38/1191791738.db2.gz QWNRLSQLMBILCR-MRXNPFEDSA-N 1 3 347.507 2.206 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCC(C)(C)C ZINC001486302582 1193807203 /nfs/dbraw/zinc/80/72/03/1193807203.db2.gz FNMUZXUHNRUHKZ-IRXDYDNUSA-N 1 3 341.540 2.094 10 0 EEAEHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCN(Cc2cccnc2)CC1 ZINC001486439965 1193968056 /nfs/dbraw/zinc/96/80/56/1193968056.db2.gz VBOIEFCOYXBXGS-MRXNPFEDSA-N 1 3 344.503 2.140 10 0 EEAEHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC(NCC=C(Cl)Cl)C1 ZINC001486480777 1193994836 /nfs/dbraw/zinc/99/48/36/1193994836.db2.gz NUWVJMWSDBLIFD-PNESKVBLSA-N 1 3 334.291 2.226 10 0 EEAEHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC(NCC=C(Cl)Cl)C1 ZINC001486480777 1193994839 /nfs/dbraw/zinc/99/48/39/1193994839.db2.gz NUWVJMWSDBLIFD-PNESKVBLSA-N 1 3 334.291 2.226 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)CC1(C)C)N(C)C ZINC001410012377 1197118919 /nfs/dbraw/zinc/11/89/19/1197118919.db2.gz DMVOREYUMQOJSC-CABCVRRESA-N 1 3 345.478 2.445 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)CC1(C)C)N(C)C ZINC001410012377 1197118921 /nfs/dbraw/zinc/11/89/21/1197118921.db2.gz DMVOREYUMQOJSC-CABCVRRESA-N 1 3 345.478 2.445 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccn(C(C)C)n2)C1 ZINC001410953732 1198621802 /nfs/dbraw/zinc/62/18/02/1198621802.db2.gz KOINUUHPJDFNPJ-IRXDYDNUSA-N 1 3 349.523 2.179 10 0 EEAEHO COCCCN1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001691696950 1199142033 /nfs/dbraw/zinc/14/20/33/1199142033.db2.gz KHCDWRRITDYKCB-WBVHZDCISA-N 1 3 339.524 2.255 10 0 EEAEHO COCCCN1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001691696950 1199142035 /nfs/dbraw/zinc/14/20/35/1199142035.db2.gz KHCDWRRITDYKCB-WBVHZDCISA-N 1 3 339.524 2.255 10 0 EEAEHO C[C@H](Cn1cncn1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886516431 1202517243 /nfs/dbraw/zinc/51/72/43/1202517243.db2.gz HNIJJLSKPRVJJQ-LULLPPNCSA-N 1 3 325.460 2.309 10 0 EEAEHO COCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC001274445922 1205039365 /nfs/dbraw/zinc/03/93/65/1205039365.db2.gz LMBKSPTZJSRJQK-MRXNPFEDSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC001274445922 1205039367 /nfs/dbraw/zinc/03/93/67/1205039367.db2.gz LMBKSPTZJSRJQK-MRXNPFEDSA-N 1 3 339.524 2.114 10 0 EEAEHO O=C(NC/C=C\CN[C@@H]1CCc2ccc(F)cc21)C12CC[NH+](CC1)C2 ZINC001274508231 1205062560 /nfs/dbraw/zinc/06/25/60/1205062560.db2.gz HGWJUOXICQVSRS-QFRLHKFZSA-N 1 3 343.446 2.171 10 0 EEAEHO CC(C)Oc1cccc(CNC/C=C\CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001274577828 1205085280 /nfs/dbraw/zinc/08/52/80/1205085280.db2.gz CRCJLGHDXDKGND-XDXAGZTOSA-N 1 3 345.487 2.188 10 0 EEAEHO CC(C)Oc1cccc(CNC/C=C\CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001274577828 1205085282 /nfs/dbraw/zinc/08/52/82/1205085282.db2.gz CRCJLGHDXDKGND-XDXAGZTOSA-N 1 3 345.487 2.188 10 0 EEAEHO Cc1ncc(CNCCCN(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)o1 ZINC001276093293 1205778614 /nfs/dbraw/zinc/77/86/14/1205778614.db2.gz PLTIGLJZSPGDFD-KRWDZBQOSA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1ncc(CNCCCN(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)o1 ZINC001276093293 1205778616 /nfs/dbraw/zinc/77/86/16/1205778616.db2.gz PLTIGLJZSPGDFD-KRWDZBQOSA-N 1 3 336.480 2.042 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000925328281 1206097724 /nfs/dbraw/zinc/09/77/24/1206097724.db2.gz VUXWJPVEJGEJJB-NZSAHSFTSA-N 1 3 344.503 2.243 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000925328281 1206097726 /nfs/dbraw/zinc/09/77/26/1206097726.db2.gz VUXWJPVEJGEJJB-NZSAHSFTSA-N 1 3 344.503 2.243 10 0 EEAEHO CNS(=O)(=O)c1ccc([C@H](C)N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925508275 1206120721 /nfs/dbraw/zinc/12/07/21/1206120721.db2.gz PTRIKEAJFWTNLC-NWANDNLSSA-N 1 3 339.505 2.151 10 0 EEAEHO [NH3+][C@@H]1C[C@@H](NCCN2CCN(c3cccc(Cl)c3)CC2)C12CCC2 ZINC000925583989 1206132288 /nfs/dbraw/zinc/13/22/88/1206132288.db2.gz ONQDHTIKRODTES-QZTJIDSGSA-N 1 3 348.922 2.322 10 0 EEAEHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925781176 1206153536 /nfs/dbraw/zinc/15/35/36/1206153536.db2.gz HMYHQEJXLYIPMS-VYDXJSESSA-N 1 3 338.446 2.126 10 0 EEAEHO C[NH+](C)CC[C@H](NC(=O)Nc1ccc2c(c1)CNC2)c1cccnc1 ZINC000926165163 1206200474 /nfs/dbraw/zinc/20/04/74/1206200474.db2.gz PHEQQOKERPEUKD-SFHVURJKSA-N 1 3 339.443 2.499 10 0 EEAEHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000926375059 1206216665 /nfs/dbraw/zinc/21/66/65/1206216665.db2.gz XUHYRWZDPGZBJL-FZBAJKBMSA-N 1 3 328.460 2.223 10 0 EEAEHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000926375059 1206216670 /nfs/dbraw/zinc/21/66/70/1206216670.db2.gz XUHYRWZDPGZBJL-FZBAJKBMSA-N 1 3 328.460 2.223 10 0 EEAEHO C[N@@H+]1C[C@@]2(C)CN(C[C@H]3CCN(C(=O)c4ccccc4)C3)C[C@@]2(C)C1 ZINC000931314046 1206624018 /nfs/dbraw/zinc/62/40/18/1206624018.db2.gz IWKGINOKEYTPDX-UIFIKXQLSA-N 1 3 341.499 2.422 10 0 EEAEHO C[N@H+]1C[C@@]2(C)CN(C[C@H]3CCN(C(=O)c4ccccc4)C3)C[C@@]2(C)C1 ZINC000931314046 1206624019 /nfs/dbraw/zinc/62/40/19/1206624019.db2.gz IWKGINOKEYTPDX-UIFIKXQLSA-N 1 3 341.499 2.422 10 0 EEAEHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1nsc3ccccc31)C2 ZINC000903495109 1240666472 /nfs/dbraw/zinc/66/64/72/1240666472.db2.gz VOTPVQJAGNHVAQ-JKDFXYPNSA-N 1 3 331.441 2.009 10 0 EEAEHO COCCN1CC[C@@H]([NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000383079913 1241369326 /nfs/dbraw/zinc/36/93/26/1241369326.db2.gz SVVQHIZQNVLLKZ-UXHICEINSA-N 1 3 331.504 2.209 10 0 EEAEHO COc1ccc(C)cc1CN1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001491120504 1258702972 /nfs/dbraw/zinc/70/29/72/1258702972.db2.gz QHVKNUGBTRYMKW-KRWDZBQOSA-N 1 3 347.503 2.284 10 0 EEAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNCc1cc(C2CC2)no1 ZINC001272774374 1277941625 /nfs/dbraw/zinc/94/16/25/1277941625.db2.gz USHBTBUVBGZLRW-KSSFIOAISA-N 1 3 348.491 2.409 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNCc1cc(C2CC2)no1 ZINC001272774374 1277941627 /nfs/dbraw/zinc/94/16/27/1277941627.db2.gz USHBTBUVBGZLRW-KSSFIOAISA-N 1 3 348.491 2.409 10 0 EEAEHO CCN(CCNCc1cn(C(C)C)nc1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001273709991 1283828941 /nfs/dbraw/zinc/82/89/41/1283828941.db2.gz FLZDSPTYRVBVRW-QGZVFWFLSA-N 1 3 349.523 2.052 10 0 EEAEHO CCN(CCNCc1cn(C(C)C)nc1C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001273709991 1283828951 /nfs/dbraw/zinc/82/89/51/1283828951.db2.gz FLZDSPTYRVBVRW-QGZVFWFLSA-N 1 3 349.523 2.052 10 0 EEAEHO CC1(C)C[C@H]([NH3+])C[C@@H](NCCCS(=O)(=O)Cc2ccccc2)C1 ZINC000925486238 1290541870 /nfs/dbraw/zinc/54/18/70/1290541870.db2.gz QGEMKRBWQKRQAP-IAGOWNOFSA-N 1 3 338.517 2.487 10 0 EEAEHO CC1(C)C[C@H](N)C[C@@H]([NH2+]CCCS(=O)(=O)Cc2ccccc2)C1 ZINC000925486238 1290541876 /nfs/dbraw/zinc/54/18/76/1290541876.db2.gz QGEMKRBWQKRQAP-IAGOWNOFSA-N 1 3 338.517 2.487 10 0 EEAEHO CN(CCCNC(=O)C1CC[NH+](CC2CC2)CC1)Cc1ccccn1 ZINC001490268191 1291156473 /nfs/dbraw/zinc/15/64/73/1291156473.db2.gz JUCYGRVUXOVNJT-UHFFFAOYSA-N 1 3 344.503 2.142 10 0 EEAEHO COCCCCC[NH+]1CCC2(C[C@H]2NC(=O)Cc2nc[nH]c2C)CC1 ZINC001490606555 1291516939 /nfs/dbraw/zinc/51/69/39/1291516939.db2.gz UTJOYBXKJLWTPJ-QGZVFWFLSA-N 1 3 348.491 2.048 10 0 EEAEHO C[NH+]1CCC2(CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)CC1 ZINC000854498783 1292812594 /nfs/dbraw/zinc/81/25/94/1292812594.db2.gz XPNKSEHVPOJOFW-GOSISDBHSA-N 1 3 325.472 2.143 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc(Cl)c(F)c1 ZINC000855346939 1293184076 /nfs/dbraw/zinc/18/40/76/1293184076.db2.gz PHMKWOVNDMPTNH-ZDUSSCGKSA-N 1 3 343.874 2.410 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc(Cl)c(F)c1 ZINC000855346939 1293184083 /nfs/dbraw/zinc/18/40/83/1293184083.db2.gz PHMKWOVNDMPTNH-ZDUSSCGKSA-N 1 3 343.874 2.410 10 0 EEAEHO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cncc2ccccc21 ZINC000843121300 1315847823 /nfs/dbraw/zinc/84/78/23/1315847823.db2.gz CMDJPWOGBBAOED-QGZVFWFLSA-N 1 3 326.444 2.054 10 0 EEAEHO CCO[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001264538814 1322727642 /nfs/dbraw/zinc/72/76/42/1322727642.db2.gz LEZXQEOYHCQANY-IAGOWNOFSA-N 1 3 341.540 2.216 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC001266018516 1323569807 /nfs/dbraw/zinc/56/98/07/1323569807.db2.gz RNYFPVKEIROKPW-OAHLLOKOSA-N 1 3 346.862 2.286 10 0 EEAEHO CC[C@H](F)CN(CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001266138772 1323709336 /nfs/dbraw/zinc/70/93/36/1323709336.db2.gz SVBUNFHPJNNAMK-RDJZCZTQSA-N 1 3 325.472 2.047 10 0 EEAEHO COCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001279567102 1323940231 /nfs/dbraw/zinc/94/02/31/1323940231.db2.gz WCACPOVIPWVWQE-SQNIBIBYSA-N 1 3 339.524 2.065 10 0 EEAEHO COCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001279567102 1323940233 /nfs/dbraw/zinc/94/02/33/1323940233.db2.gz WCACPOVIPWVWQE-SQNIBIBYSA-N 1 3 339.524 2.065 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]C/C=C\c2ccccc2)C1 ZINC001282076653 1325612366 /nfs/dbraw/zinc/61/23/66/1325612366.db2.gz XMGPGPVUJHFWJC-YVMONPNESA-N 1 3 338.455 2.458 10 0 EEAEHO CC(C)OCCN1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001284947541 1326789668 /nfs/dbraw/zinc/78/96/68/1326789668.db2.gz VZNIIKMANNFPJS-UHFFFAOYSA-N 1 3 337.508 2.034 10 0 EEAEHO CC[NH+](CC)C1CCN(c2nnc(C)n2CCN2CC=CCC2)CC1 ZINC001295464290 1329813690 /nfs/dbraw/zinc/81/36/90/1329813690.db2.gz AGSGIQXPCLXZDZ-UHFFFAOYSA-N 1 3 346.523 2.159 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1oc(C)nc1C ZINC001492128801 1330981671 /nfs/dbraw/zinc/98/16/71/1330981671.db2.gz FYGQBHDVFRSXIW-CZUORRHYSA-N 1 3 336.480 2.150 10 0 EEAEHO CN(CCCNC(=O)c1cccc(C[NH+](C)C)c1)Cc1ccccn1 ZINC001316869702 1331940199 /nfs/dbraw/zinc/94/01/99/1331940199.db2.gz JCNOBHAXCJRBMP-UHFFFAOYSA-N 1 3 340.471 2.395 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCOC1CCC1 ZINC001316881855 1331948454 /nfs/dbraw/zinc/94/84/54/1331948454.db2.gz WQRAWVMMTLUNKI-SJLPKXTDSA-N 1 3 339.524 2.255 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CCC[C@@H]2CCOC2)CC1 ZINC001317220992 1332142218 /nfs/dbraw/zinc/14/22/18/1332142218.db2.gz QZBRHODFOHOJGE-KLAILNCOSA-N 1 3 348.491 2.094 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CCCCC(F)(F)F)C2)C1 ZINC001317530467 1332286226 /nfs/dbraw/zinc/28/62/26/1332286226.db2.gz XKYDSHYMRRAYSQ-LSDHHAIUSA-N 1 3 349.441 2.499 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CCCCC(F)(F)F)C2)C1 ZINC001317530467 1332286227 /nfs/dbraw/zinc/28/62/27/1332286227.db2.gz XKYDSHYMRRAYSQ-LSDHHAIUSA-N 1 3 349.441 2.499 10 0 EEAEHO CN(CC[NH2+]CC1CCCC1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001317625172 1332334435 /nfs/dbraw/zinc/33/44/35/1332334435.db2.gz BVFPPUNHNJRMAO-SFHVURJKSA-N 1 3 327.488 2.437 10 0 EEAEHO CN(C)c1ccccc1CNCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001317670795 1332362607 /nfs/dbraw/zinc/36/26/07/1332362607.db2.gz WTAUQRSPEGUOBS-UHFFFAOYSA-N 1 3 346.519 2.177 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCOC(C)C ZINC001319132563 1332654267 /nfs/dbraw/zinc/65/42/67/1332654267.db2.gz PZAYDRPCZIHTEJ-MSOLQXFVSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1cc(C)cc(OCC[NH2+]C/C=C/CNC(=O)[C@H]2CCCN2C)c1 ZINC001320997758 1332994169 /nfs/dbraw/zinc/99/41/69/1332994169.db2.gz KWKSKIXEXSVVMT-VZSQWMKGSA-N 1 3 345.487 2.038 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCc1ccc(Cl)cc1 ZINC001321190040 1333040896 /nfs/dbraw/zinc/04/08/96/1333040896.db2.gz SDPGTKJSMKKTOV-RCAFFNEUSA-N 1 3 335.879 2.239 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C\C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001321405554 1333096742 /nfs/dbraw/zinc/09/67/42/1333096742.db2.gz SINXDDFUAOKUAQ-UPHRSURJSA-N 1 3 339.842 2.337 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC[C@H]2CC2(Cl)Cl)CC1 ZINC001323601725 1333496469 /nfs/dbraw/zinc/49/64/69/1333496469.db2.gz IIDKBFXXVUKLCS-NSHDSACASA-N 1 3 345.274 2.083 10 0 EEAEHO COCCCC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@@H](C)C1 ZINC001324082781 1333604763 /nfs/dbraw/zinc/60/47/63/1333604763.db2.gz SYZIUNOFNVKNFA-DLBZAZTESA-N 1 3 341.540 2.360 10 0 EEAEHO CC(C)COCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C1 ZINC001328099369 1334395864 /nfs/dbraw/zinc/39/58/64/1334395864.db2.gz UQGQUCMHYTZUPU-KRWDZBQOSA-N 1 3 341.540 2.216 10 0 EEAEHO CC(C)COCC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C1 ZINC001328099369 1334395865 /nfs/dbraw/zinc/39/58/65/1334395865.db2.gz UQGQUCMHYTZUPU-KRWDZBQOSA-N 1 3 341.540 2.216 10 0 EEAEHO CCCC[NH2+]CC1(O)CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001328218012 1334417073 /nfs/dbraw/zinc/41/70/73/1334417073.db2.gz SODNVUGKWXYPKD-UHFFFAOYSA-N 1 3 347.503 2.105 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)cc1 ZINC001331942641 1335683018 /nfs/dbraw/zinc/68/30/18/1335683018.db2.gz DFXGUOUOYAGYDV-IEBWSBKVSA-N 1 3 347.503 2.293 10 0 EEAEHO CC(C)OCCN1CC=C(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001333354991 1336018202 /nfs/dbraw/zinc/01/82/02/1336018202.db2.gz WGAQVMWWSJGWOE-UHFFFAOYSA-N 1 3 349.519 2.036 10 0 EEAEHO COCc1ccc(CN2CC[C@](C)(NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001500253631 1342114801 /nfs/dbraw/zinc/11/48/01/1342114801.db2.gz JBTCOXUMRNCTPW-FQEVSTJZSA-N 1 3 347.503 2.255 10 0 EEAEHO C[C@H]1CCCC[C@@H]1OCC[NH2+]CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001567507533 1342774989 /nfs/dbraw/zinc/77/49/89/1342774989.db2.gz FCDYTVYGZZGRKT-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H]1CCCC[C@H]1OCC[NH2+]CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001567507531 1342775152 /nfs/dbraw/zinc/77/51/52/1342775152.db2.gz FCDYTVYGZZGRKT-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO COCCC[NH2+]C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C(C)(C)C ZINC001571634370 1343256122 /nfs/dbraw/zinc/25/61/22/1343256122.db2.gz HIDKWPJCYXYQAS-IAGOWNOFSA-N 1 3 341.540 2.408 10 0 EEAEHO CC(C)(C(=O)N1C[C@H]([NH2+]CCCF)C(C)(C)C1)N1CCCCC1 ZINC001676998808 1357258992 /nfs/dbraw/zinc/25/89/92/1357258992.db2.gz NZVSGBKTUBTARR-HNNXBMFYSA-N 1 3 327.488 2.437 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CCOCC1 ZINC001649470323 1353523292 /nfs/dbraw/zinc/52/32/92/1353523292.db2.gz ISOMUCHZDYPLGL-WMZOPIPTSA-N 1 3 339.524 2.162 10 0 EEAEHO CC(C)OCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001663493083 1354970963 /nfs/dbraw/zinc/97/09/63/1354970963.db2.gz LLRSYRCXRGGIQB-MSOLQXFVSA-N 1 3 339.524 2.255 10 0 EEAEHO CC(C)OCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001663493083 1354970967 /nfs/dbraw/zinc/97/09/67/1354970967.db2.gz LLRSYRCXRGGIQB-MSOLQXFVSA-N 1 3 339.524 2.255 10 0 EEAEHO CC(C)OCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001663587874 1354993786 /nfs/dbraw/zinc/99/37/86/1354993786.db2.gz UTJJMFPSFVLDAE-QZTJIDSGSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)OCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001663587874 1354993790 /nfs/dbraw/zinc/99/37/90/1354993790.db2.gz UTJJMFPSFVLDAE-QZTJIDSGSA-N 1 3 339.524 2.112 10 0 EEAEHO CCN(C(=O)[C@H]1CCCN1C(C)C)[C@@H]1CC[N@H+](CCCCOC)C1 ZINC001665715334 1355370931 /nfs/dbraw/zinc/37/09/31/1355370931.db2.gz OSCMQAGELZBFLP-QZTJIDSGSA-N 1 3 339.524 2.209 10 0 EEAEHO CCN(C(=O)[C@H]1CCCN1C(C)C)[C@@H]1CC[N@@H+](CCCCOC)C1 ZINC001665715334 1355370936 /nfs/dbraw/zinc/37/09/36/1355370936.db2.gz OSCMQAGELZBFLP-QZTJIDSGSA-N 1 3 339.524 2.209 10 0 EEAEHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CCCCO1)N(C)C ZINC001666428823 1355526321 /nfs/dbraw/zinc/52/63/21/1355526321.db2.gz PXFPJQBPDMOZNB-SQNIBIBYSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@@H](C[NH2+]CCc1cccs1)NC(=O)CN(C)CC(C)(C)C ZINC001669664108 1356191379 /nfs/dbraw/zinc/19/13/79/1356191379.db2.gz CXHPJMGYTXTKLV-AWEZNQCLSA-N 1 3 325.522 2.363 10 0 EEAEHO C[C@@H](F)CC[NH2+]Cc1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001698716668 1405020758 /nfs/dbraw/zinc/02/07/58/1405020758.db2.gz QMMSNPWMJUYHSG-HZPDHXFCSA-N 1 3 335.467 2.482 10 0 EEAEHO Cc1ccccc1[C@H](O)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000819174748 785447857 /nfs/dbraw/zinc/44/78/57/785447857.db2.gz RCPQOXGLHNSJMG-HSALFYBXSA-N 1 3 332.488 2.386 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)NCCC3(C[NH3+])CC3)cc2)CC1 ZINC000846304255 790125969 /nfs/dbraw/zinc/12/59/69/790125969.db2.gz KIIKIRWHOXJVMN-UHFFFAOYSA-N 1 3 345.491 2.079 10 0 EEAEHO Cc1c(C[C@@H](CN)C[NH2+][C@@H](C)CCCc2cccnc2)cnn1C ZINC000903929227 796153381 /nfs/dbraw/zinc/15/33/81/796153381.db2.gz CIZHCJJOXIVUOT-YJBOKZPZSA-N 1 3 329.492 2.242 10 0 EEAEHO Cc1ncc(CN[C@H](C)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001437411600 1089690736 /nfs/dbraw/zinc/69/07/36/1089690736.db2.gz SAWICKXTMLJVDZ-HUUCEWRRSA-N 1 3 336.480 2.232 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001437716132 1090263285 /nfs/dbraw/zinc/26/32/85/1090263285.db2.gz XWAQXTLAWOUSLJ-HOCLYGCPSA-N 1 3 341.496 2.366 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001437716132 1090263289 /nfs/dbraw/zinc/26/32/89/1090263289.db2.gz XWAQXTLAWOUSLJ-HOCLYGCPSA-N 1 3 341.496 2.366 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CCN(Cc2conc2C)C1 ZINC001437925229 1090518376 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ZINC000516563172 316570585 /nfs/dbraw/zinc/57/05/85/316570585.db2.gz XSOZSLYRCSTWHL-INIZCTEOSA-N 1 3 326.506 2.336 10 0 EEAEHO Cc1cc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)ccn1 ZINC000527651293 317236558 /nfs/dbraw/zinc/23/65/58/317236558.db2.gz VLLPOPFZCLGIKE-UHFFFAOYSA-N 1 3 325.460 2.087 10 0 EEAEHO CO[C@H](C)CN(CC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)C ZINC000354828323 465176841 /nfs/dbraw/zinc/17/68/41/465176841.db2.gz BAWTUMKHOAGJNG-SJLPKXTDSA-N 1 3 335.492 2.151 10 0 EEAEHO CO[C@H](C)CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000354828323 465176843 /nfs/dbraw/zinc/17/68/43/465176843.db2.gz BAWTUMKHOAGJNG-SJLPKXTDSA-N 1 3 335.492 2.151 10 0 EEAEHO CN(C)C[C@@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000048216589 462874698 /nfs/dbraw/zinc/87/46/98/462874698.db2.gz DYMCFGMAXCMGHP-GOSISDBHSA-N 1 3 330.476 2.215 10 0 EEAEHO Cc1ccc2ncc(CN(C)CC3CC[NH+](C[C@H](C)O)CC3)n2c1 ZINC000121155318 463089164 /nfs/dbraw/zinc/08/91/64/463089164.db2.gz UTKOHTMZYKUNEO-INIZCTEOSA-N 1 3 330.476 2.167 10 0 EEAEHO COc1c(C)cnc(C[N@@H+]2CCCC[C@H](N3CCN(C)CC3)C2)c1C ZINC000136065375 463216834 /nfs/dbraw/zinc/21/68/34/463216834.db2.gz DNSPAQAMMNPARZ-SFHVURJKSA-N 1 3 346.519 2.309 10 0 EEAEHO COc1c(C)cnc(C[N@H+]2CCCC[C@H](N3CCN(C)CC3)C2)c1C ZINC000136065375 463216836 /nfs/dbraw/zinc/21/68/36/463216836.db2.gz DNSPAQAMMNPARZ-SFHVURJKSA-N 1 3 346.519 2.309 10 0 EEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000079620540 463235696 /nfs/dbraw/zinc/23/56/96/463235696.db2.gz YQYSSTDUCQATME-KRWDZBQOSA-N 1 3 326.529 2.336 10 0 EEAEHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CCCN1C ZINC000139435548 463324491 /nfs/dbraw/zinc/32/44/91/463324491.db2.gz MRXUDXGJVWCCIG-SFHVURJKSA-N 1 3 332.492 2.422 10 0 EEAEHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](N)C2CCOCC2)CC1 ZINC000261627169 463807668 /nfs/dbraw/zinc/80/76/68/463807668.db2.gz CRFRUIYZKAQJMD-KXBFYZLASA-N 1 3 345.487 2.082 10 0 EEAEHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2(N)CCOCC2)cc1 ZINC000261799559 463864069 /nfs/dbraw/zinc/86/40/69/463864069.db2.gz ISENPGUDUGTNPZ-INIZCTEOSA-N 1 3 345.487 2.185 10 0 EEAEHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2(N)CCOCC2)cc1 ZINC000261799559 463864072 /nfs/dbraw/zinc/86/40/72/463864072.db2.gz ISENPGUDUGTNPZ-INIZCTEOSA-N 1 3 345.487 2.185 10 0 EEAEHO C[C@H]([NH2+]C1(CNC(=O)C2(N)CCOCC2)CCCC1)c1ccccc1 ZINC000261937966 463906057 /nfs/dbraw/zinc/90/60/57/463906057.db2.gz XBQGCOXZXAAYEZ-INIZCTEOSA-N 1 3 345.487 2.274 10 0 EEAEHO C[C@@]1(C(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)CCCCN1 ZINC000180896700 464416096 /nfs/dbraw/zinc/41/60/96/464416096.db2.gz WCUYZSRFCFECPK-APWZRJJASA-N 1 3 345.443 2.066 10 0 EEAEHO C[C@]1(C(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)CCCCN1 ZINC000180896686 464416754 /nfs/dbraw/zinc/41/67/54/464416754.db2.gz WCUYZSRFCFECPK-VQIMIIECSA-N 1 3 345.443 2.066 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)COCc2cccs2)[C@@H](C)C1 ZINC000246436636 464585564 /nfs/dbraw/zinc/58/55/64/464585564.db2.gz CXHOFZQDBHIZDB-ZOBUZTSGSA-N 1 3 326.506 2.288 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)COCc2cccs2)[C@@H](C)C1 ZINC000246436636 464585568 /nfs/dbraw/zinc/58/55/68/464585568.db2.gz CXHOFZQDBHIZDB-ZOBUZTSGSA-N 1 3 326.506 2.288 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)[C@H](C)C1 ZINC000246455260 464587242 /nfs/dbraw/zinc/58/72/42/464587242.db2.gz OUHTXYLBXSBXHY-MHORFTMASA-N 1 3 338.540 2.479 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)[C@H](C)C1 ZINC000246455260 464587246 /nfs/dbraw/zinc/58/72/46/464587246.db2.gz OUHTXYLBXSBXHY-MHORFTMASA-N 1 3 338.540 2.479 10 0 EEAEHO CCC(CC)[C@H](CNC(=O)N1CCN2CCC[C@H]2C1)[NH+]1CCCC1 ZINC000247657916 464700054 /nfs/dbraw/zinc/70/00/54/464700054.db2.gz YXZFEWGTVCVZSG-ROUUACIJSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)CCC[NH+](C)C ZINC000248903953 464819144 /nfs/dbraw/zinc/81/91/44/464819144.db2.gz UQPLWDVLEFDOAK-FUHWJXTLSA-N 1 3 332.492 2.100 10 0 EEAEHO COc1cccc2c1CC[C@@H]2N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000347256752 466514994 /nfs/dbraw/zinc/51/49/94/466514994.db2.gz WUHUWEGCZBOUEI-ROUUACIJSA-N 1 3 347.503 2.365 10 0 EEAEHO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3CCC[C@H](N)C3)C2)c1 ZINC000569500898 468501782 /nfs/dbraw/zinc/50/17/82/468501782.db2.gz BRGGRYXSABNZQC-PMPSAXMXSA-N 1 3 333.476 2.390 10 0 EEAEHO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc4c(c3F)CCNC4)C2)C1 ZINC000415968953 466717380 /nfs/dbraw/zinc/71/73/80/466717380.db2.gz GDWSRJHIYDEWAQ-IBGZPJMESA-N 1 3 346.450 2.421 10 0 EEAEHO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc4c(c3F)CCNC4)C2)C1 ZINC000415968953 466717384 /nfs/dbraw/zinc/71/73/84/466717384.db2.gz GDWSRJHIYDEWAQ-IBGZPJMESA-N 1 3 346.450 2.421 10 0 EEAEHO CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417735616 466920851 /nfs/dbraw/zinc/92/08/51/466920851.db2.gz LKGWFLRSBMULFZ-SQWLQELKSA-N 1 3 338.521 2.414 10 0 EEAEHO CCC[C@@H]1CNCCN1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000417930746 466989958 /nfs/dbraw/zinc/98/99/58/466989958.db2.gz BEYSKIWJKQOKMY-SQNIBIBYSA-N 1 3 330.476 2.215 10 0 EEAEHO CCC[C@@H]1CNCCN1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000417930746 466989965 /nfs/dbraw/zinc/98/99/65/466989965.db2.gz BEYSKIWJKQOKMY-SQNIBIBYSA-N 1 3 330.476 2.215 10 0 EEAEHO C[C@@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@H](c1ccccc1)N(C)C ZINC000418162886 467063152 /nfs/dbraw/zinc/06/31/52/467063152.db2.gz DDRISWNZCRXVPE-YSHGAJCASA-N 1 3 344.503 2.319 10 0 EEAEHO C[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[C@@H](c1ccccc1)N(C)C ZINC000418182325 467068457 /nfs/dbraw/zinc/06/84/57/467068457.db2.gz MKSYTBQQEXUPMB-RANZSIQMSA-N 1 3 330.476 2.071 10 0 EEAEHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000378906328 467368562 /nfs/dbraw/zinc/36/85/62/467368562.db2.gz LOEPUUHUEKRCCL-QYZOEREBSA-N 1 3 329.488 2.390 10 0 EEAEHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000457915014 467728708 /nfs/dbraw/zinc/72/87/08/467728708.db2.gz QNMBRZBUIGOMLD-RBUKOAKNSA-N 1 3 346.519 2.283 10 0 EEAEHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000457915014 467728713 /nfs/dbraw/zinc/72/87/13/467728713.db2.gz QNMBRZBUIGOMLD-RBUKOAKNSA-N 1 3 346.519 2.283 10 0 EEAEHO CC[NH+]1CCC(CCNC(=O)N2CC[C@]3(C2)CCCN(C)C3)CC1 ZINC000458458321 467838796 /nfs/dbraw/zinc/83/87/96/467838796.db2.gz NADZXAFRSPYPST-LJQANCHMSA-N 1 3 336.524 2.236 10 0 EEAEHO O[C@@H](C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)CC1CCCC1 ZINC000571910748 468857402 /nfs/dbraw/zinc/85/74/02/468857402.db2.gz WPIUUOHZSQRZDV-WOJBJXKFSA-N 1 3 332.488 2.284 10 0 EEAEHO COC(=O)[C@@H]1OCC[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000595658657 468942112 /nfs/dbraw/zinc/94/21/12/468942112.db2.gz GTZDZUUNFMRPNA-ZWKOTPCHSA-N 1 3 332.444 2.093 10 0 EEAEHO O=C(N[C@H]1CNCCC1(F)F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000563115139 469174217 /nfs/dbraw/zinc/17/42/17/469174217.db2.gz MJMHQUOQOKNTAA-CVEARBPZSA-N 1 3 337.414 2.012 10 0 EEAEHO O=C(N[C@H]1CNCCC1(F)F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000563115139 469174221 /nfs/dbraw/zinc/17/42/21/469174221.db2.gz MJMHQUOQOKNTAA-CVEARBPZSA-N 1 3 337.414 2.012 10 0 EEAEHO C[NH2+]CCOCCN(C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000629569088 469583008 /nfs/dbraw/zinc/58/30/08/469583008.db2.gz NZMINNJXAJAXBC-UHFFFAOYSA-N 1 3 348.274 2.490 10 0 EEAEHO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CCN(C)C(C)(C)C2)c1 ZINC000623398287 469642674 /nfs/dbraw/zinc/64/26/74/469642674.db2.gz BHHLUJURRIDTIT-HIFRSBDPSA-N 1 3 339.505 2.118 10 0 EEAEHO CN1CC[C@H]([NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)CC1(C)C ZINC000623421242 469651736 /nfs/dbraw/zinc/65/17/36/469651736.db2.gz CXULOMVKNKWWEQ-FPOVZHCZSA-N 1 3 345.531 2.476 10 0 EEAEHO C[N@@H+]1CC[C@H](N[C@@]2(CO)CCCN(Cc3ccccc3)C2)CC1(C)C ZINC000623421242 469651738 /nfs/dbraw/zinc/65/17/38/469651738.db2.gz CXULOMVKNKWWEQ-FPOVZHCZSA-N 1 3 345.531 2.476 10 0 EEAEHO C[N@H+]1CC[C@H](N[C@@]2(CO)CCCN(Cc3ccccc3)C2)CC1(C)C ZINC000623421242 469651741 /nfs/dbraw/zinc/65/17/41/469651741.db2.gz CXULOMVKNKWWEQ-FPOVZHCZSA-N 1 3 345.531 2.476 10 0 EEAEHO CC(C)[C@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000607241299 469677899 /nfs/dbraw/zinc/67/78/99/469677899.db2.gz IEZUGURGUISNLC-IAGOWNOFSA-N 1 3 326.529 2.336 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(F)c(F)c(F)c1F ZINC000617504127 469700869 /nfs/dbraw/zinc/70/08/69/469700869.db2.gz HTLPLFVPLWOLFB-JTQLQIEISA-N 1 3 349.372 2.245 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(F)c(F)c(F)c1F ZINC000617504127 469700873 /nfs/dbraw/zinc/70/08/73/469700873.db2.gz HTLPLFVPLWOLFB-JTQLQIEISA-N 1 3 349.372 2.245 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1cccc(F)c1 ZINC000617505537 469702804 /nfs/dbraw/zinc/70/28/04/469702804.db2.gz GVEXBICAUOXMQL-HNNXBMFYSA-N 1 3 337.483 2.492 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1cccc(F)c1 ZINC000617505537 469702809 /nfs/dbraw/zinc/70/28/09/469702809.db2.gz GVEXBICAUOXMQL-HNNXBMFYSA-N 1 3 337.483 2.492 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(F)ccc1Cl ZINC000617508212 469708365 /nfs/dbraw/zinc/70/83/65/469708365.db2.gz YEQFREQWCNTZND-LBPRGKRZSA-N 1 3 329.847 2.481 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(F)ccc1Cl ZINC000617508212 469708371 /nfs/dbraw/zinc/70/83/71/469708371.db2.gz YEQFREQWCNTZND-LBPRGKRZSA-N 1 3 329.847 2.481 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000626995369 469781422 /nfs/dbraw/zinc/78/14/22/469781422.db2.gz SVOVNSBJBYDCBJ-CWLKWCNXSA-N 1 3 330.476 2.089 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000626994815 469781856 /nfs/dbraw/zinc/78/18/56/469781856.db2.gz KIETVAQPOMWMAM-DSLXNQLJSA-N 1 3 344.503 2.479 10 0 EEAEHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@@H]1CCCCO1 ZINC000623916329 469795908 /nfs/dbraw/zinc/79/59/08/469795908.db2.gz LZVBJKDIZICVBR-QAPCUYQASA-N 1 3 333.476 2.025 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000627039470 469799241 /nfs/dbraw/zinc/79/92/41/469799241.db2.gz XVORMNZPAYGLNM-BZZMCLGOSA-N 1 3 330.476 2.089 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C[NH2+]1 ZINC000627200715 469842996 /nfs/dbraw/zinc/84/29/96/469842996.db2.gz UAVUEILSVQTWSV-NEWSRXKRSA-N 1 3 344.503 2.433 10 0 EEAEHO CCN(C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000627242263 469854338 /nfs/dbraw/zinc/85/43/38/469854338.db2.gz PCVRUXVNQXLLIB-RYQLBKOJSA-N 1 3 330.476 2.043 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@@H](O)C(F)F)CC1 ZINC000631217593 470095606 /nfs/dbraw/zinc/09/56/06/470095606.db2.gz WAORHJZTHGAGJJ-QGZVFWFLSA-N 1 3 341.446 2.324 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000634746265 470291170 /nfs/dbraw/zinc/29/11/70/470291170.db2.gz MVWGVFFYGUDLSS-KDURUIRLSA-N 1 3 329.488 2.297 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000634746265 470291174 /nfs/dbraw/zinc/29/11/74/470291174.db2.gz MVWGVFFYGUDLSS-KDURUIRLSA-N 1 3 329.488 2.297 10 0 EEAEHO C(=C/C[NH2+][C@@H]1CCCn2nccc21)\CN[C@@H]1CCCn2nccc21 ZINC000640221268 470828267 /nfs/dbraw/zinc/82/82/67/470828267.db2.gz VTPGASRKIRBQOW-PKUCDIRRSA-N 1 3 326.448 2.185 10 0 EEAEHO CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCN(CC)CC2)CO1 ZINC000657314064 471094615 /nfs/dbraw/zinc/09/46/15/471094615.db2.gz ZVHGUBUMBCKMMX-UXHICEINSA-N 1 3 331.504 2.481 10 0 EEAEHO CC(C)C[N@H+](C)CCCNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000651769249 471110284 /nfs/dbraw/zinc/11/02/84/471110284.db2.gz YJPACJSLAHXADL-UHFFFAOYSA-N 1 3 341.521 2.004 10 0 EEAEHO CC(C)C[N@@H+](C)CCCNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000651769249 471110288 /nfs/dbraw/zinc/11/02/88/471110288.db2.gz YJPACJSLAHXADL-UHFFFAOYSA-N 1 3 341.521 2.004 10 0 EEAEHO COC[C@H](CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1)OC ZINC000660497174 471367145 /nfs/dbraw/zinc/36/71/45/471367145.db2.gz MHBBXDLJDRHBCR-HOTGVXAUSA-N 1 3 326.506 2.472 10 0 EEAEHO COC[C@H](CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1)OC ZINC000660497174 471367149 /nfs/dbraw/zinc/36/71/49/471367149.db2.gz MHBBXDLJDRHBCR-HOTGVXAUSA-N 1 3 326.506 2.472 10 0 EEAEHO C[NH+]1CCC(CN[C@H]2CCCn3ccnc32)(N2CCCCC2)CC1 ZINC000655720036 471455902 /nfs/dbraw/zinc/45/59/02/471455902.db2.gz NXSOHEMEMWXKKF-KRWDZBQOSA-N 1 3 331.508 2.258 10 0 EEAEHO CN1CCC(CN[C@H]2CCCn3ccnc32)([NH+]2CCCCC2)CC1 ZINC000655720036 471455905 /nfs/dbraw/zinc/45/59/05/471455905.db2.gz NXSOHEMEMWXKKF-KRWDZBQOSA-N 1 3 331.508 2.258 10 0 EEAEHO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659040686 471483857 /nfs/dbraw/zinc/48/38/57/471483857.db2.gz FXIGZFALJPBRBY-CRAIPNDOSA-N 1 3 346.475 2.201 10 0 EEAEHO C[N@H+]1CCC[C@H](CCNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659040686 471483864 /nfs/dbraw/zinc/48/38/64/471483864.db2.gz FXIGZFALJPBRBY-CRAIPNDOSA-N 1 3 346.475 2.201 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)NC(C)(C3CC3)C3CC3)CC2)CC1 ZINC000663876594 471559679 /nfs/dbraw/zinc/55/96/79/471559679.db2.gz IDIBMNKIUIMGTG-UHFFFAOYSA-N 1 3 348.535 2.423 10 0 EEAEHO Cc1ccc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c(OCCN(C)C)c1 ZINC000653998666 471800781 /nfs/dbraw/zinc/80/07/81/471800781.db2.gz MOQSMWYFKRQREA-IYBDPMFKSA-N 1 3 348.491 2.397 10 0 EEAEHO 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1182922824 /nfs/dbraw/zinc/92/28/24/1182922824.db2.gz LIQLDRXIQBFLRM-VOCYLRNQSA-N 1 3 329.488 2.480 10 0 EEAEHO Cc1oncc1CNCC[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001481982164 1183078126 /nfs/dbraw/zinc/07/81/26/1183078126.db2.gz HKKYRYUWUOQROY-INIZCTEOSA-N 1 3 348.491 2.043 10 0 EEAEHO Cc1ncsc1C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001482889741 1187816650 /nfs/dbraw/zinc/81/66/50/1187816650.db2.gz RYDTWPHRUZLVJJ-SWLSCSKDSA-N 1 3 326.510 2.022 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N[C@H](C[NH3+])C2CCCCC2)cc(Cl)n1 ZINC000841848561 1187994201 /nfs/dbraw/zinc/99/42/01/1187994201.db2.gz MCQKCDAMMXFBIE-LSDHHAIUSA-N 1 3 338.883 2.457 10 0 EEAEHO CCc1ccc(CC[NH2+]C/C=C/CNC(=O)[C@H]2CCCN2C)cc1 ZINC001483043094 1188196565 /nfs/dbraw/zinc/19/65/65/1188196565.db2.gz FNFURSVUYCNGAQ-VZSQWMKGSA-N 1 3 329.488 2.148 10 0 EEAEHO COc1cc(C[NH2+]CCN(C)C(=O)CN(C)C(C)C)ccc1Cl ZINC001691622821 1188322577 /nfs/dbraw/zinc/32/25/77/1188322577.db2.gz AAFQDMDAOUULBP-UHFFFAOYSA-N 1 3 341.883 2.237 10 0 EEAEHO 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EEAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](CNCc1ccns1)C1CC1 ZINC001483560222 1190548406 /nfs/dbraw/zinc/54/84/06/1190548406.db2.gz CEYVWDUXLIXWQM-CVEARBPZSA-N 1 3 336.505 2.000 10 0 EEAEHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]Cc1cc(C)no1 ZINC001483620631 1190602706 /nfs/dbraw/zinc/60/27/06/1190602706.db2.gz AHFFUZHGMCTNLB-NVXWUHKLSA-N 1 3 336.480 2.040 10 0 EEAEHO CC(C)OCC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001691636542 1190739312 /nfs/dbraw/zinc/73/93/12/1190739312.db2.gz HVWHXKKCNURIDC-QGZVFWFLSA-N 1 3 327.513 2.112 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CCC[C@H]1CCOC1 ZINC001485080932 1191649873 /nfs/dbraw/zinc/64/98/73/1191649873.db2.gz XQVKLVLUQWALPR-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCC[C@H]1CCOC1 ZINC001485080932 1191649874 /nfs/dbraw/zinc/64/98/74/1191649874.db2.gz XQVKLVLUQWALPR-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1nc(C)c(C)s1)N(C)C ZINC001273018342 1194325610 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2.081 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001480709728 1106931634 /nfs/dbraw/zinc/93/16/34/1106931634.db2.gz MLYDIOIHEQKELC-DLBZAZTESA-N 1 3 336.455 2.078 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CCC1CCOCC1 ZINC001498299902 1107245202 /nfs/dbraw/zinc/24/52/02/1107245202.db2.gz NFNPEUMYJKRNPW-SJLPKXTDSA-N 1 3 339.524 2.114 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CCC1CCOCC1 ZINC001498299902 1107245209 /nfs/dbraw/zinc/24/52/09/1107245209.db2.gz NFNPEUMYJKRNPW-SJLPKXTDSA-N 1 3 339.524 2.114 10 0 EEAEHO C[NH+](C)CCCCC(=O)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001493255410 1107784417 /nfs/dbraw/zinc/78/44/17/1107784417.db2.gz SSXFVAFLFYORNK-QGZVFWFLSA-N 1 3 335.467 2.496 10 0 EEAEHO Cc1ncccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001479457865 1110697597 /nfs/dbraw/zinc/69/75/97/1110697597.db2.gz NOAAKXODIMOPOV-UHOSZYNNSA-N 1 3 346.519 2.351 10 0 EEAEHO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C)cc1 ZINC001501153232 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336.505 2.016 10 0 EEAEHO C[C@@H]1[C@@H]([NH2+]CCCCC(F)(F)F)CCN1C(=O)Cc1c[nH]cn1 ZINC001507290376 1115176271 /nfs/dbraw/zinc/17/62/71/1115176271.db2.gz XWBQIMVVEUQAIN-YPMHNXCESA-N 1 3 332.370 2.264 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001568866362 1124891192 /nfs/dbraw/zinc/89/11/92/1124891192.db2.gz SGHKADYVBYOYPG-DDKKJVIOSA-N 1 3 330.476 2.026 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568866362 1124891204 /nfs/dbraw/zinc/89/12/04/1124891204.db2.gz SGHKADYVBYOYPG-DDKKJVIOSA-N 1 3 330.476 2.026 10 0 EEAEHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1ccccc1Br ZINC000422836115 240251272 /nfs/dbraw/zinc/25/12/72/240251272.db2.gz ZTPKFIDEMFVORK-NJZAAPMLSA-N 1 3 327.266 2.334 10 0 EEAEHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1ccccc1Br ZINC000422836115 240251276 /nfs/dbraw/zinc/25/12/76/240251276.db2.gz ZTPKFIDEMFVORK-NJZAAPMLSA-N 1 3 327.266 2.334 10 0 EEAEHO COc1c(C)cnc(CN(C)CC[N@H+](C)C2CCN(C)CC2)c1C ZINC000162191069 206390444 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CCC[N@@H+](C)C[C@@H]1CCN(CC2(O)CCC(C(=O)OCC)CC2)C1 ZINC000190924157 256004027 /nfs/dbraw/zinc/00/40/27/256004027.db2.gz LHXZRBWJUNWVAY-MUYFXNHWSA-N 1 3 340.508 2.135 10 0 EEAEHO CCCN(C)C[C@@H]1CC[N@H+](CC2(O)CCC(C(=O)OCC)CC2)C1 ZINC000190924157 256004030 /nfs/dbraw/zinc/00/40/30/256004030.db2.gz LHXZRBWJUNWVAY-MUYFXNHWSA-N 1 3 340.508 2.135 10 0 EEAEHO CCCN(C)C[C@@H]1CC[N@@H+](CC2(O)CCC(C(=O)OCC)CC2)C1 ZINC000190924157 256004035 /nfs/dbraw/zinc/00/40/35/256004035.db2.gz LHXZRBWJUNWVAY-MUYFXNHWSA-N 1 3 340.508 2.135 10 0 EEAEHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CC1CC[NH+](C)CC1 ZINC000273201763 256276201 /nfs/dbraw/zinc/27/62/01/256276201.db2.gz JZSOBHOXZVHSBK-UHFFFAOYSA-N 1 3 335.467 2.448 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)COCc2ccccc2F)[C@H](C)C1 ZINC000246837026 160297044 /nfs/dbraw/zinc/29/70/44/160297044.db2.gz OMSBKAGHTVXTPS-SUMDDJOVSA-N 1 3 338.467 2.365 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)COCc2ccccc2F)[C@H](C)C1 ZINC000246837026 160297046 /nfs/dbraw/zinc/29/70/46/160297046.db2.gz OMSBKAGHTVXTPS-SUMDDJOVSA-N 1 3 338.467 2.365 10 0 EEAEHO CN1CC[C@@H](NC(=O)NCC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000248070395 160338028 /nfs/dbraw/zinc/33/80/28/160338028.db2.gz QHXWQMOPUUNCCG-MSOLQXFVSA-N 1 3 330.476 2.073 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248146087 160338863 /nfs/dbraw/zinc/33/88/63/160338863.db2.gz QEVSWLMNFLMTMG-FUHWJXTLSA-N 1 3 345.487 2.183 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248146087 160338864 /nfs/dbraw/zinc/33/88/64/160338864.db2.gz QEVSWLMNFLMTMG-FUHWJXTLSA-N 1 3 345.487 2.183 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@](C)(O)CCOC)CC1 ZINC000344314747 161216628 /nfs/dbraw/zinc/21/66/28/161216628.db2.gz HFXPCDFWIBYTPP-HXUWFJFHSA-N 1 3 349.519 2.096 10 0 EEAEHO CC[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CCO1 ZINC000355681408 163268481 /nfs/dbraw/zinc/26/84/81/163268481.db2.gz ZDLIRFHNZQGQRK-PKOBYXMFSA-N 1 3 347.503 2.273 10 0 EEAEHO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000368615670 166091924 /nfs/dbraw/zinc/09/19/24/166091924.db2.gz QUZAPYIHLQVZGB-IPMKNSEASA-N 1 3 329.488 2.498 10 0 EEAEHO COc1cc2[nH+]ccc(N3C[C@@H](C)N(CCO)C[C@@H]3C)c2cc1OC ZINC000418991581 277396261 /nfs/dbraw/zinc/39/62/61/277396261.db2.gz FBUVYKNDYOFXQU-KGLIPLIRSA-N 1 3 345.443 2.143 10 0 EEAEHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000417224769 313456246 /nfs/dbraw/zinc/45/62/46/313456246.db2.gz WDJOMIGTVMTKEH-MGPQQGTHSA-N 1 3 346.466 2.039 10 0 EEAEHO C[C@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[C@H](c1ccccc1)N(C)C ZINC000418180775 313738502 /nfs/dbraw/zinc/73/85/02/313738502.db2.gz KTBBKCOAOFWMFQ-JCGIZDLHSA-N 1 3 330.476 2.214 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000418555766 313845473 /nfs/dbraw/zinc/84/54/73/313845473.db2.gz DUIWSUUGWOGYSM-APWZRJJASA-N 1 3 344.503 2.290 10 0 EEAEHO CC(C)[N@H+](C)CC1CCN(C(=O)CCN(C)c2ccncc2)CC1 ZINC000541857735 318112635 /nfs/dbraw/zinc/11/26/35/318112635.db2.gz UKWHNYCQORHYOV-UHFFFAOYSA-N 1 3 332.492 2.487 10 0 EEAEHO CC(C)[N@@H+](C)CC1CCN(C(=O)CCN(C)c2ccncc2)CC1 ZINC000541857735 318112638 /nfs/dbraw/zinc/11/26/38/318112638.db2.gz UKWHNYCQORHYOV-UHFFFAOYSA-N 1 3 332.492 2.487 10 0 EEAEHO CN(CCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccncc1 ZINC000541856636 318112674 /nfs/dbraw/zinc/11/26/74/318112674.db2.gz ZFYXEJAJVGVIOF-VQIMIIECSA-N 1 3 342.487 2.383 10 0 EEAEHO CN(CCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccncc1 ZINC000541856636 318112677 /nfs/dbraw/zinc/11/26/77/318112677.db2.gz ZFYXEJAJVGVIOF-VQIMIIECSA-N 1 3 342.487 2.383 10 0 EEAEHO CCc1ccccc1[C@H](N)CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000562808929 318933390 /nfs/dbraw/zinc/93/33/90/318933390.db2.gz ZFXKOXJEZXMPLP-TZIWHRDSSA-N 1 3 337.467 2.296 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)N2CCCC2)cc1 ZINC000570617686 319681216 /nfs/dbraw/zinc/68/12/16/319681216.db2.gz ILVRNTOKFIMTBO-WDSOQIARSA-N 1 3 344.503 2.429 10 0 EEAEHO O=C1C[C@@H](c2ccccc2)N(Cc2ccc3c(c2)C[NH2+]CC3)CCN1 ZINC000575129884 320089265 /nfs/dbraw/zinc/08/92/65/320089265.db2.gz CDMOFLMLXMIBHD-FQEVSTJZSA-N 1 3 335.451 2.396 10 0 EEAEHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000582231412 324408051 /nfs/dbraw/zinc/40/80/51/324408051.db2.gz SMKCFRCBENILGX-OTWHNJEPSA-N 1 3 344.503 2.451 10 0 EEAEHO O=C(NC1CCN(C2CC2)CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000045410050 462583832 /nfs/dbraw/zinc/58/38/32/462583832.db2.gz JNCSRPQNQXOHGK-UHFFFAOYSA-N 1 3 334.508 2.131 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000156624078 463049887 /nfs/dbraw/zinc/04/98/87/463049887.db2.gz ZZLMRHHNIFHTGV-KRWDZBQOSA-N 1 3 332.492 2.290 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000156624078 463049891 /nfs/dbraw/zinc/04/98/91/463049891.db2.gz ZZLMRHHNIFHTGV-KRWDZBQOSA-N 1 3 332.492 2.290 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)COC2CCC([NH3+])CC2)N(C)C)cc1 ZINC000568505940 468348083 /nfs/dbraw/zinc/34/80/83/468348083.db2.gz HTBOVUMNVCNFFJ-ABHNRTSZSA-N 1 3 333.476 2.000 10 0 EEAEHO C[N@H+](CCC1OCCO1)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000124182034 463396066 /nfs/dbraw/zinc/39/60/66/463396066.db2.gz RVSPIAPHLUUAPE-LJQANCHMSA-N 1 3 348.487 2.127 10 0 EEAEHO C[N@@H+](CCC1OCCO1)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000124182034 463396069 /nfs/dbraw/zinc/39/60/69/463396069.db2.gz RVSPIAPHLUUAPE-LJQANCHMSA-N 1 3 348.487 2.127 10 0 EEAEHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)C1 ZINC000163275067 463576066 /nfs/dbraw/zinc/57/60/66/463576066.db2.gz BYCHNVBTHPUJAX-GJZGRUSLSA-N 1 3 339.505 2.441 10 0 EEAEHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)C1 ZINC000163275067 463576070 /nfs/dbraw/zinc/57/60/70/463576070.db2.gz BYCHNVBTHPUJAX-GJZGRUSLSA-N 1 3 339.505 2.441 10 0 EEAEHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)C1 ZINC000163275067 463576074 /nfs/dbraw/zinc/57/60/74/463576074.db2.gz BYCHNVBTHPUJAX-GJZGRUSLSA-N 1 3 339.505 2.441 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)n1cccc1 ZINC000522649790 468374082 /nfs/dbraw/zinc/37/40/82/468374082.db2.gz AHQYSZBHETWPCP-ROUUACIJSA-N 1 3 334.508 2.314 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)n1cccc1 ZINC000522649790 468374087 /nfs/dbraw/zinc/37/40/87/468374087.db2.gz AHQYSZBHETWPCP-ROUUACIJSA-N 1 3 334.508 2.314 10 0 EEAEHO CCN1CCC[C@@H](NC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000194135776 463798245 /nfs/dbraw/zinc/79/82/45/463798245.db2.gz SGXVQUVIGCPJEU-GOSISDBHSA-N 1 3 332.492 2.292 10 0 EEAEHO CCN1CCC[C@@H](NC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000194135776 463798251 /nfs/dbraw/zinc/79/82/51/463798251.db2.gz SGXVQUVIGCPJEU-GOSISDBHSA-N 1 3 332.492 2.292 10 0 EEAEHO CCC[NH+]1CCC(CNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)CC1 ZINC000182554372 464682259 /nfs/dbraw/zinc/68/22/59/464682259.db2.gz QESXMGMEHFLZGZ-ZWKOTPCHSA-N 1 3 336.524 2.234 10 0 EEAEHO C[C@@H]1CN(C(=O)c2ccccc2OCC[NH+](C)C)CCN(C2CC2)C1 ZINC000295253970 464761524 /nfs/dbraw/zinc/76/15/24/464761524.db2.gz FKNCBCNWZWDOMN-INIZCTEOSA-N 1 3 345.487 2.183 10 0 EEAEHO CC(C)C[C@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C)C(=O)NCCN(C)C ZINC000361023322 465711653 /nfs/dbraw/zinc/71/16/53/465711653.db2.gz UWZFAZAKLDMATN-YESZJQIVSA-N 1 3 341.540 2.261 10 0 EEAEHO CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000340300893 465969596 /nfs/dbraw/zinc/96/95/96/465969596.db2.gz FSIIBYHJNWKQBF-ROUUACIJSA-N 1 3 330.476 2.169 10 0 EEAEHO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000349859119 466278440 /nfs/dbraw/zinc/27/84/40/466278440.db2.gz UPJNNIHWRWTVPP-MRXNPFEDSA-N 1 3 348.491 2.399 10 0 EEAEHO CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000349859119 466278446 /nfs/dbraw/zinc/27/84/46/466278446.db2.gz UPJNNIHWRWTVPP-MRXNPFEDSA-N 1 3 348.491 2.399 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@H](NCCc2cccc(OC)n2)[C@H](C)C1 ZINC000361925635 466413542 /nfs/dbraw/zinc/41/35/42/466413542.db2.gz ITUVEJWOAXEOCP-AEFFLSMTSA-N 1 3 335.492 2.359 10 0 EEAEHO CCOCCC[N@H+]1CC[C@H](NCCc2cccc(OC)n2)[C@H](C)C1 ZINC000361925635 466413547 /nfs/dbraw/zinc/41/35/47/466413547.db2.gz ITUVEJWOAXEOCP-AEFFLSMTSA-N 1 3 335.492 2.359 10 0 EEAEHO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c1 ZINC000367613960 466448767 /nfs/dbraw/zinc/44/87/67/466448767.db2.gz GOBUVJUDIBWGJT-XOYOTBSWSA-N 1 3 334.460 2.200 10 0 EEAEHO COc1ccc(OC)c([C@H](O)CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367613960 466448772 /nfs/dbraw/zinc/44/87/72/466448772.db2.gz GOBUVJUDIBWGJT-XOYOTBSWSA-N 1 3 334.460 2.200 10 0 EEAEHO COc1ccc(OC)c([C@H](O)CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367613960 466448778 /nfs/dbraw/zinc/44/87/78/466448778.db2.gz GOBUVJUDIBWGJT-XOYOTBSWSA-N 1 3 334.460 2.200 10 0 EEAEHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417042043 466762464 /nfs/dbraw/zinc/76/24/64/466762464.db2.gz WGXHBAIZGPWQNT-CEXWTWQISA-N 1 3 342.487 2.217 10 0 EEAEHO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCN2CCC1CC2 ZINC000370213689 466799737 /nfs/dbraw/zinc/79/97/37/466799737.db2.gz XGUIOEIUTFPGIN-UHFFFAOYSA-N 1 3 342.487 2.272 10 0 EEAEHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417536891 466878962 /nfs/dbraw/zinc/87/89/62/466878962.db2.gz RKOUIVZWRBRPRO-IAGOWNOFSA-N 1 3 332.492 2.420 10 0 EEAEHO CN1CCC[C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@@H]1c1cccs1 ZINC000417737755 466920582 /nfs/dbraw/zinc/92/05/82/466920582.db2.gz OFDGMZIWUPFDIT-PNBKFKSVSA-N 1 3 348.516 2.134 10 0 EEAEHO CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417735611 466920743 /nfs/dbraw/zinc/92/07/43/466920743.db2.gz LKGWFLRSBMULFZ-IIAWOOMASA-N 1 3 338.521 2.414 10 0 EEAEHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000418597848 467133676 /nfs/dbraw/zinc/13/36/76/467133676.db2.gz QBDSTWWPDWATLA-PKOBYXMFSA-N 1 3 346.519 2.190 10 0 EEAEHO C[C@@H](CCCC[NH3+])NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418667322 467143323 /nfs/dbraw/zinc/14/33/23/467143323.db2.gz FGYAKSYJDAOBPV-WMZOPIPTSA-N 1 3 332.492 2.420 10 0 EEAEHO C[C@H](Cn1cc(Br)ccc1=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000414110439 467377938 /nfs/dbraw/zinc/37/79/38/467377938.db2.gz LSJGHIZVDZMJDP-MBNYWOFBSA-N 1 3 342.281 2.072 10 0 EEAEHO C[C@H](Cn1cc(Br)ccc1=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000414110439 467377942 /nfs/dbraw/zinc/37/79/42/467377942.db2.gz LSJGHIZVDZMJDP-MBNYWOFBSA-N 1 3 342.281 2.072 10 0 EEAEHO O=C1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCCN1 ZINC000383453844 467380605 /nfs/dbraw/zinc/38/06/05/467380605.db2.gz HTGJGTTVIAQHNS-AKHDSKFASA-N 1 3 327.472 2.155 10 0 EEAEHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCOCCOc2ccccc2)CC1 ZINC000420382335 467387899 /nfs/dbraw/zinc/38/78/99/467387899.db2.gz PRANTTRXRIONHY-UXHICEINSA-N 1 3 348.487 2.300 10 0 EEAEHO Cc1ccc(NC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c(OCCN(C)C)c1 ZINC000415199897 467517064 /nfs/dbraw/zinc/51/70/64/467517064.db2.gz DWMQOPPJALQBIF-DNVCBOLYSA-N 1 3 348.491 2.384 10 0 EEAEHO c1cc2c(cc1CN1CCCC[C@@H]1CN1CCOCC1)C[NH2+]CC2 ZINC000568050705 468263684 /nfs/dbraw/zinc/26/36/84/468263684.db2.gz BCFIHMAPWXYGJM-HXUWFJFHSA-N 1 3 329.488 2.019 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000582478434 468545849 /nfs/dbraw/zinc/54/58/49/468545849.db2.gz ZSXHFMKLNGFJFB-POAQFYNOSA-N 1 3 344.503 2.338 10 0 EEAEHO CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2(N)CCOCC2)c2ccccc21 ZINC000600706480 468627027 /nfs/dbraw/zinc/62/70/27/468627027.db2.gz FCCQVOKMIITOMB-IRXDYDNUSA-N 1 3 332.444 2.266 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000583554670 468714701 /nfs/dbraw/zinc/71/47/01/468714701.db2.gz GAARQXCJCQGUEC-AEFFLSMTSA-N 1 3 344.503 2.338 10 0 EEAEHO CC(=O)c1cccc(OC[C@H](O)C[NH2+]C2CC(N3CCCCC3)C2)c1 ZINC000584168549 468812322 /nfs/dbraw/zinc/81/23/22/468812322.db2.gz OJWJZUFHUBGVKU-CTWPCTMYSA-N 1 3 346.471 2.235 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000625869548 469417935 /nfs/dbraw/zinc/41/79/35/469417935.db2.gz UXTDOAIWEZWNEY-MAUKXSAKSA-N 1 3 346.475 2.423 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(C(F)(F)F)CCCC1 ZINC000617502370 469699615 /nfs/dbraw/zinc/69/96/15/469699615.db2.gz MYIUKHBDRYDSLA-ZDUSSCGKSA-N 1 3 337.430 2.497 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(C(F)(F)F)CCCC1 ZINC000617502370 469699619 /nfs/dbraw/zinc/69/96/19/469699619.db2.gz MYIUKHBDRYDSLA-ZDUSSCGKSA-N 1 3 337.430 2.497 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1c(F)cccc1Cl ZINC000617503298 469701582 /nfs/dbraw/zinc/70/15/82/469701582.db2.gz DHBLKKXSIWNPCS-ZDUSSCGKSA-N 1 3 343.874 2.410 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1c(F)cccc1Cl ZINC000617503298 469701585 /nfs/dbraw/zinc/70/15/85/469701585.db2.gz DHBLKKXSIWNPCS-ZDUSSCGKSA-N 1 3 343.874 2.410 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c(F)ccc(F)c1F ZINC000617507013 469706746 /nfs/dbraw/zinc/70/67/46/469706746.db2.gz FMKNZEFKXKKGOM-NSHDSACASA-N 1 3 331.382 2.106 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c(F)ccc(F)c1F ZINC000617507013 469706750 /nfs/dbraw/zinc/70/67/50/469706750.db2.gz FMKNZEFKXKKGOM-NSHDSACASA-N 1 3 331.382 2.106 10 0 EEAEHO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCCN(C)C3)cc2)CC1 ZINC000623738195 469750128 /nfs/dbraw/zinc/75/01/28/469750128.db2.gz UORGVFSPRIQHDF-SFHVURJKSA-N 1 3 344.503 2.041 10 0 EEAEHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626930679 469758884 /nfs/dbraw/zinc/75/88/84/469758884.db2.gz GKFZAOLUKBXGPS-QFBILLFUSA-N 1 3 344.503 2.399 10 0 EEAEHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000626979728 469775437 /nfs/dbraw/zinc/77/54/37/469775437.db2.gz JAIBYVSKHMBHBE-HDMKZQKVSA-N 1 3 330.476 2.262 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C[NH2+]1 ZINC000626994995 469781409 /nfs/dbraw/zinc/78/14/09/469781409.db2.gz NJFHTPLIJNEBHP-FPAYPSAMSA-N 1 3 344.503 2.479 10 0 EEAEHO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC(N2CCCOCC2)CC1 ZINC000627740274 469987633 /nfs/dbraw/zinc/98/76/33/469987633.db2.gz IRDACAAJFCBVAU-IBGZPJMESA-N 1 3 349.519 2.107 10 0 EEAEHO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC(N2CCCOCC2)CC1 ZINC000627740274 469987636 /nfs/dbraw/zinc/98/76/36/469987636.db2.gz IRDACAAJFCBVAU-IBGZPJMESA-N 1 3 349.519 2.107 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)C(F)(F)F ZINC000625023439 470061842 /nfs/dbraw/zinc/06/18/42/470061842.db2.gz HELMUMMNHRLWRB-ZIAGYGMSSA-N 1 3 337.430 2.449 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)C(F)(F)F ZINC000625023439 470061843 /nfs/dbraw/zinc/06/18/43/470061843.db2.gz HELMUMMNHRLWRB-ZIAGYGMSSA-N 1 3 337.430 2.449 10 0 EEAEHO C[C@H]1CN(CCCC[NH2+]Cc2c3c(nn2C)CCCC3)C[C@H](C)O1 ZINC000631075284 470062211 /nfs/dbraw/zinc/06/22/11/470062211.db2.gz PAQBJZUNMDQVNH-HOTGVXAUSA-N 1 3 334.508 2.278 10 0 EEAEHO COc1ccc(C[C@@H](CO)CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1O ZINC000628279224 470086079 /nfs/dbraw/zinc/08/60/79/470086079.db2.gz AMFVJJHBLCRAAD-CVEARBPZSA-N 1 3 336.476 2.014 10 0 EEAEHO COc1ccc(C[C@@H](CO)CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1O ZINC000628279224 470086081 /nfs/dbraw/zinc/08/60/81/470086081.db2.gz AMFVJJHBLCRAAD-CVEARBPZSA-N 1 3 336.476 2.014 10 0 EEAEHO CN(Cc1ccccc1)CC(C)(C)C[NH2+]C1CN(c2ccncn2)C1 ZINC000631258846 470104700 /nfs/dbraw/zinc/10/47/00/470104700.db2.gz ZNXNCZJDERZHFU-UHFFFAOYSA-N 1 3 339.487 2.413 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000628746199 470148166 /nfs/dbraw/zinc/14/81/66/470148166.db2.gz YUSOJAQSPPSGHS-INIZCTEOSA-N 1 3 333.476 2.089 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000628746199 470148169 /nfs/dbraw/zinc/14/81/69/470148169.db2.gz YUSOJAQSPPSGHS-INIZCTEOSA-N 1 3 333.476 2.089 10 0 EEAEHO Cc1cccnc1CCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715713 470285521 /nfs/dbraw/zinc/28/55/21/470285521.db2.gz IVNLRJKRVPUILM-FQEVSTJZSA-N 1 3 325.456 2.159 10 0 EEAEHO Cc1cccnc1CCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715713 470285522 /nfs/dbraw/zinc/28/55/22/470285522.db2.gz IVNLRJKRVPUILM-FQEVSTJZSA-N 1 3 325.456 2.159 10 0 EEAEHO C[C@@H]1[C@H](C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)CC[N@@H+]1C ZINC000648806694 470354333 /nfs/dbraw/zinc/35/43/33/470354333.db2.gz UNCUNWYZQRKMDO-YQVWRLOYSA-N 1 3 329.488 2.450 10 0 EEAEHO C[C@@H]1[C@H](C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)CC[N@H+]1C ZINC000648806694 470354337 /nfs/dbraw/zinc/35/43/37/470354337.db2.gz UNCUNWYZQRKMDO-YQVWRLOYSA-N 1 3 329.488 2.450 10 0 EEAEHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000646190308 470559991 /nfs/dbraw/zinc/55/99/91/470559991.db2.gz LSTBUGKPECCUJA-WMZOPIPTSA-N 1 3 330.476 2.129 10 0 EEAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cc2ccccc2[nH]c1=O ZINC000657574542 471174064 /nfs/dbraw/zinc/17/40/64/471174064.db2.gz YUHDZYYDPNITTD-HNNXBMFYSA-N 1 3 330.476 2.302 10 0 EEAEHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc2cnccc2o1 ZINC000657871163 471242674 /nfs/dbraw/zinc/24/26/74/471242674.db2.gz HWRYHWPLGDDHTM-ZIAGYGMSSA-N 1 3 330.432 2.066 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cccc(Cl)c1 ZINC000663406886 471362201 /nfs/dbraw/zinc/36/22/01/471362201.db2.gz JRMAAAGPQYJGFJ-AWEZNQCLSA-N 1 3 340.899 2.411 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cccc(Cl)c1 ZINC000663406886 471362206 /nfs/dbraw/zinc/36/22/06/471362206.db2.gz JRMAAAGPQYJGFJ-AWEZNQCLSA-N 1 3 340.899 2.411 10 0 EEAEHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000663501697 471401752 /nfs/dbraw/zinc/40/17/52/471401752.db2.gz BIFGPVFFLXCQGW-UKRRQHHQSA-N 1 3 337.464 2.384 10 0 EEAEHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659031876 471474866 /nfs/dbraw/zinc/47/48/66/471474866.db2.gz DGJXKKOXXICTJX-MAUKXSAKSA-N 1 3 346.475 2.153 10 0 EEAEHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659031876 471474869 /nfs/dbraw/zinc/47/48/69/471474869.db2.gz DGJXKKOXXICTJX-MAUKXSAKSA-N 1 3 346.475 2.153 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC(C)CC2)[C@H](C)C1 ZINC000666755647 471524116 /nfs/dbraw/zinc/52/41/16/471524116.db2.gz BTTRZVLKECXWCL-KURKYZTESA-N 1 3 338.540 2.479 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC(C)CC2)[C@H](C)C1 ZINC000666755647 471524121 /nfs/dbraw/zinc/52/41/21/471524121.db2.gz BTTRZVLKECXWCL-KURKYZTESA-N 1 3 338.540 2.479 10 0 EEAEHO [NH3+]CCN(CCc1ccccc1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655976116 471564639 /nfs/dbraw/zinc/56/46/39/471564639.db2.gz ZGBQNQKNNLZYMW-RBUKOAKNSA-N 1 3 344.503 2.216 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CN[C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)C1 ZINC000656126970 471598582 /nfs/dbraw/zinc/59/85/82/471598582.db2.gz FILULFHEKDRDIE-VHDGCEQUSA-N 1 3 343.393 2.032 10 0 EEAEHO CCc1ccccc1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664200440 471674376 /nfs/dbraw/zinc/67/43/76/471674376.db2.gz NZQGAIUEVHIBAE-INIZCTEOSA-N 1 3 334.508 2.320 10 0 EEAEHO CCc1ccccc1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664200440 471674378 /nfs/dbraw/zinc/67/43/78/471674378.db2.gz NZQGAIUEVHIBAE-INIZCTEOSA-N 1 3 334.508 2.320 10 0 EEAEHO CSc1nc(NCC[N@H+](C)CCCN(C)C)cc(C(F)F)n1 ZINC000664243873 471692860 /nfs/dbraw/zinc/69/28/60/471692860.db2.gz BVTDWGQPOWJPQW-UHFFFAOYSA-N 1 3 333.452 2.432 10 0 EEAEHO CSc1nc(NCC[N@@H+](C)CCCN(C)C)cc(C(F)F)n1 ZINC000664243873 471692862 /nfs/dbraw/zinc/69/28/62/471692862.db2.gz BVTDWGQPOWJPQW-UHFFFAOYSA-N 1 3 333.452 2.432 10 0 EEAEHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1F ZINC000665259656 471983077 /nfs/dbraw/zinc/98/30/77/471983077.db2.gz MIJDLPRMALDCRD-OVLVRJBISA-N 1 3 347.478 2.495 10 0 EEAEHO c1ccc(C[N@H+]2CCN(C[C@@H]3CNCCO3)CC23CCCCC3)cc1 ZINC000662261840 472047789 /nfs/dbraw/zinc/04/77/89/472047789.db2.gz BFGNXUGJCHVJPP-FQEVSTJZSA-N 1 3 343.515 2.496 10 0 EEAEHO c1ccc(C[N@@H+]2CCN(C[C@@H]3CNCCO3)CC23CCCCC3)cc1 ZINC000662261840 472047794 /nfs/dbraw/zinc/04/77/94/472047794.db2.gz BFGNXUGJCHVJPP-FQEVSTJZSA-N 1 3 343.515 2.496 10 0 EEAEHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662485805 472124797 /nfs/dbraw/zinc/12/47/97/472124797.db2.gz JTLSMCUSSRBEPU-VQIMIIECSA-N 1 3 327.472 2.411 10 0 EEAEHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662485805 472124800 /nfs/dbraw/zinc/12/48/00/472124800.db2.gz JTLSMCUSSRBEPU-VQIMIIECSA-N 1 3 327.472 2.411 10 0 EEAEHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC1([NH3+])CC1 ZINC000662779108 472248551 /nfs/dbraw/zinc/24/85/51/472248551.db2.gz PSMSGRZIFRVINQ-UHFFFAOYSA-N 1 3 343.393 2.477 10 0 EEAEHO C[C@@H](CCNC(=O)N[C@H]1CCCN(C)C1)[N@H+](C)Cc1ccccc1 ZINC000673771266 485525095 /nfs/dbraw/zinc/52/50/95/485525095.db2.gz GMIFHFDOGPEJFI-WMZOPIPTSA-N 1 3 332.492 2.290 10 0 EEAEHO C[C@@H](CCNC(=O)N[C@H]1CCCN(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000673771266 485525100 /nfs/dbraw/zinc/52/51/00/485525100.db2.gz GMIFHFDOGPEJFI-WMZOPIPTSA-N 1 3 332.492 2.290 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CC1CCCCC1 ZINC000665637586 485612085 /nfs/dbraw/zinc/61/20/85/485612085.db2.gz HSYMEHJSTMHIPG-INIZCTEOSA-N 1 3 326.529 2.480 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CC1CCCCC1 ZINC000665637586 485612095 /nfs/dbraw/zinc/61/20/95/485612095.db2.gz HSYMEHJSTMHIPG-INIZCTEOSA-N 1 3 326.529 2.480 10 0 EEAEHO CC(C)[C@H](Cn1cccn1)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000453119769 535044944 /nfs/dbraw/zinc/04/49/44/535044944.db2.gz MRTZVNLSMUMZLG-IBGZPJMESA-N 1 3 347.551 2.448 10 0 EEAEHO CCN1CCC[C@@H]1CNC(=S)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000730731627 577052781 /nfs/dbraw/zinc/05/27/81/577052781.db2.gz IDJUTJWHDBRJOU-BZUAXINKSA-N 1 3 326.554 2.198 10 0 EEAEHO CC(C)n1cc([C@H](C)NCC2(N3CCCCC3)CC[NH+](C)CC2)nn1 ZINC000925158386 687124479 /nfs/dbraw/zinc/12/44/79/687124479.db2.gz YXOBAVDOBBVFIL-KRWDZBQOSA-N 1 3 348.539 2.460 10 0 EEAEHO CC(C)n1cc([C@H](C)NCC2([NH+]3CCCCC3)CCN(C)CC2)nn1 ZINC000925158386 687124480 /nfs/dbraw/zinc/12/44/80/687124480.db2.gz YXOBAVDOBBVFIL-KRWDZBQOSA-N 1 3 348.539 2.460 10 0 EEAEHO Cc1cnc([C@H](C)[NH2+]CCC[C@@H](C)NC(=O)C2(N(C)C)CCC2)cn1 ZINC001485723423 1191910477 /nfs/dbraw/zinc/91/04/77/1191910477.db2.gz DHSPKMGONUCZDN-ZBFHGGJFSA-N 1 3 347.507 2.205 10 0 EEAEHO CN(CCNCc1ccc(Cl)nc1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001493582509 1191942103 /nfs/dbraw/zinc/94/21/03/1191942103.db2.gz CMWSYQXRTXSOJA-OAHLLOKOSA-N 1 3 338.883 2.157 10 0 EEAEHO CN(CCNCc1ccc(Cl)nc1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001493582509 1191942104 /nfs/dbraw/zinc/94/21/04/1191942104.db2.gz CMWSYQXRTXSOJA-OAHLLOKOSA-N 1 3 338.883 2.157 10 0 EEAEHO CCOCCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001266758733 1177365729 /nfs/dbraw/zinc/36/57/29/1177365729.db2.gz ZEBNHUGQZLEABI-KRWDZBQOSA-N 1 3 339.524 2.116 10 0 EEAEHO CCOCCC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001266758733 1177365737 /nfs/dbraw/zinc/36/57/37/1177365737.db2.gz ZEBNHUGQZLEABI-KRWDZBQOSA-N 1 3 339.524 2.116 10 0 EEAEHO Cc1ncc(CNCCN(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)s1 ZINC001691360249 1177969230 /nfs/dbraw/zinc/96/92/30/1177969230.db2.gz SKAKKDCRJJWXAQ-ZBFHGGJFSA-N 1 3 336.505 2.016 10 0 EEAEHO Cc1ncc(CNCCN(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)s1 ZINC001691360249 1177969238 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CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CCNCc1cc(C)no1 ZINC001268162736 1181878193 /nfs/dbraw/zinc/87/81/93/1181878193.db2.gz OEMOUZPHUYUJRO-MRXNPFEDSA-N 1 3 336.480 2.186 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CCNCc1cc(C)no1 ZINC001268162736 1181878196 /nfs/dbraw/zinc/87/81/96/1181878196.db2.gz OEMOUZPHUYUJRO-MRXNPFEDSA-N 1 3 336.480 2.186 10 0 EEAEHO CC(C)OCCCN1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001481707308 1182266286 /nfs/dbraw/zinc/26/62/86/1182266286.db2.gz DHJLAEVCJINOOH-LJQANCHMSA-N 1 3 347.503 2.367 10 0 EEAEHO C[C@@H](CC[NH2+]C[C@@H]1CCCCO1)NC(=O)c1cccc(CN(C)C)c1 ZINC001268427371 1182595791 /nfs/dbraw/zinc/59/57/91/1182595791.db2.gz WNILCEOZFKNOSS-LPHOPBHVSA-N 1 3 347.503 2.415 10 0 EEAEHO CCN(CCNCc1cnc(C)s1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268450395 1182634510 /nfs/dbraw/zinc/63/45/10/1182634510.db2.gz VUZHRVYZSUBIAW-MRXNPFEDSA-N 1 3 338.521 2.262 10 0 EEAEHO CCN(CCNCc1cnc(C)s1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001268450395 1182634514 /nfs/dbraw/zinc/63/45/14/1182634514.db2.gz VUZHRVYZSUBIAW-MRXNPFEDSA-N 1 3 338.521 2.262 10 0 EEAEHO CC[C@H](CNC(=O)[C@H]1CCCCN1CC)[NH2+]Cc1cc(C)ns1 ZINC001481880815 1182863992 /nfs/dbraw/zinc/86/39/92/1182863992.db2.gz HMFZFACEJOWEFR-GDBMZVCRSA-N 1 3 338.521 2.310 10 0 EEAEHO C[NH+](C)CC1(C(=O)N2CCC[C@@H]2CNCC=C(Cl)Cl)CC1 ZINC001482061298 1183270866 /nfs/dbraw/zinc/27/08/66/1183270866.db2.gz CCJNQJJGVCSFTD-GFCCVEGCSA-N 1 3 334.291 2.228 10 0 EEAEHO CC1CCN(CC(=O)NC/C=C/C[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001268607946 1183515637 /nfs/dbraw/zinc/51/56/37/1183515637.db2.gz KOCCNLIJKSGVCW-KZSQQDEKSA-N 1 3 343.462 2.416 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CCC2CCN(C(=O)[C@@H]3CCCN3C)CC2)o1 ZINC001269837005 1184656130 /nfs/dbraw/zinc/65/61/30/1184656130.db2.gz ARXDJSGZTRXQRA-KRWDZBQOSA-N 1 3 348.491 2.104 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCOc1cccc(C)c1)N(C)C ZINC001270136691 1184876588 /nfs/dbraw/zinc/87/65/88/1184876588.db2.gz PJCHMYICYBFVQQ-MJGOQNOKSA-N 1 3 347.503 2.295 10 0 EEAEHO Cc1ncc(CNC[C@@H]2CCCN2C(=O)CCCC[NH+](C)C)s1 ZINC001270174932 1184899114 /nfs/dbraw/zinc/89/91/14/1184899114.db2.gz UTYRTUIPVCLOPL-HNNXBMFYSA-N 1 3 338.521 2.264 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(Cl)nc1 ZINC001271216785 1186088233 /nfs/dbraw/zinc/08/82/33/1186088233.db2.gz PZCBJKBERIEMLX-CYBMUJFWSA-N 1 3 326.872 2.012 10 0 EEAEHO Cc1cc(CNCC[C@H]2CCCCN2C(=O)CCC[NH+](C)C)on1 ZINC001271575551 1186322598 /nfs/dbraw/zinc/32/25/98/1186322598.db2.gz HHUUBSZMUZSVAH-MRXNPFEDSA-N 1 3 336.480 2.186 10 0 EEAEHO Cc1ncccc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001482699992 1187678131 /nfs/dbraw/zinc/67/81/31/1187678131.db2.gz XZRLKRFAONPFPW-ROUUACIJSA-N 1 3 332.492 2.105 10 0 EEAEHO CCN(CC[NH2+]Cc1sc(C)nc1C)C(=O)CN(C)C1CCC1 ZINC001482931780 1187841655 /nfs/dbraw/zinc/84/16/55/1187841655.db2.gz RMMZWFACJDGFHJ-UHFFFAOYSA-N 1 3 338.521 2.182 10 0 EEAEHO CCN(CCNCc1ccc(F)c(F)c1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482962141 1187895054 /nfs/dbraw/zinc/89/50/54/1187895054.db2.gz DMHQYZUTRDRMGU-OAHLLOKOSA-N 1 3 339.430 2.245 10 0 EEAEHO CCN(CCNCc1ccc(F)c(F)c1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482962141 1187895056 /nfs/dbraw/zinc/89/50/56/1187895056.db2.gz DMHQYZUTRDRMGU-OAHLLOKOSA-N 1 3 339.430 2.245 10 0 EEAEHO CN(C)C1(C(=O)NC/C=C\C[NH2+]C[C@@H]2CCC(F)(F)C2)CCC1 ZINC001483019095 1188006488 /nfs/dbraw/zinc/00/64/88/1188006488.db2.gz VCYXQVLFJVPCEY-VQTKUKTRSA-N 1 3 329.435 2.168 10 0 EEAEHO CCC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001691573384 1188271806 /nfs/dbraw/zinc/27/18/06/1188271806.db2.gz RKHBHOGBJKYGRT-FDRQBBGKSA-N 1 3 330.476 2.479 10 0 EEAEHO CCC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001691573384 1188271807 /nfs/dbraw/zinc/27/18/07/1188271807.db2.gz RKHBHOGBJKYGRT-FDRQBBGKSA-N 1 3 330.476 2.479 10 0 EEAEHO Cc1ccc(F)cc1CNC/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483057569 1188333273 /nfs/dbraw/zinc/33/32/73/1188333273.db2.gz QCPPWHRKHUURDJ-IPLHWJFFSA-N 1 3 335.467 2.482 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001483096837 1188471103 /nfs/dbraw/zinc/47/11/03/1188471103.db2.gz FKHQOZSGISZZJM-RLPXRCBWSA-N 1 3 330.476 2.025 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001483096837 1188471105 /nfs/dbraw/zinc/47/11/05/1188471105.db2.gz FKHQOZSGISZZJM-RLPXRCBWSA-N 1 3 330.476 2.025 10 0 EEAEHO C[C@H](CNCc1ccccn1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001483143540 1188745221 /nfs/dbraw/zinc/74/52/21/1188745221.db2.gz UMLIOQHBXASHEB-OAHLLOKOSA-N 1 3 332.492 2.329 10 0 EEAEHO C[C@H](CNCc1ccccn1)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001483143540 1188745225 /nfs/dbraw/zinc/74/52/25/1188745225.db2.gz UMLIOQHBXASHEB-OAHLLOKOSA-N 1 3 332.492 2.329 10 0 EEAEHO Cc1noc(C)c1C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001272534203 1190870241 /nfs/dbraw/zinc/87/02/41/1190870241.db2.gz NICBJTHZYQWEKC-WMZOPIPTSA-N 1 3 348.491 2.104 10 0 EEAEHO CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)N(C)C ZINC001483805348 1191051626 /nfs/dbraw/zinc/05/16/26/1191051626.db2.gz HMBJVNGOOGMFAC-FBVQUNGASA-N 1 3 339.524 2.111 10 0 EEAEHO Cc1ncc(CN[C@H](C)[C@H](C)NC(=O)C23CCC[NH+]2CCC3)s1 ZINC001485167142 1191677137 /nfs/dbraw/zinc/67/71/37/1191677137.db2.gz UNVXETFEMUPNLT-OLZOCXBDSA-N 1 3 336.505 2.063 10 0 EEAEHO Cc1cccnc1CN[C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485197771 1191682570 /nfs/dbraw/zinc/68/25/70/1191682570.db2.gz FKMARHNLLKLUDJ-HZPDHXFCSA-N 1 3 332.492 2.105 10 0 EEAEHO CCOCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001485243529 1191707072 /nfs/dbraw/zinc/70/70/72/1191707072.db2.gz WIZHJTSTIWOOLJ-ABHNRTSZSA-N 1 3 339.524 2.257 10 0 EEAEHO COC[C@@H](C)N1CC([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001485513646 1191816436 /nfs/dbraw/zinc/81/64/36/1191816436.db2.gz UQTJBTOQIWEPHO-HUUCEWRRSA-N 1 3 339.524 2.111 10 0 EEAEHO COC[C@@H](C)N1CC([C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001485513646 1191816438 /nfs/dbraw/zinc/81/64/38/1191816438.db2.gz UQTJBTOQIWEPHO-HUUCEWRRSA-N 1 3 339.524 2.111 10 0 EEAEHO CCOCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@@H]1C ZINC001486182148 1193718796 /nfs/dbraw/zinc/71/87/96/1193718796.db2.gz XLLHLSXQBADBFQ-IRXDYDNUSA-N 1 3 339.524 2.257 10 0 EEAEHO CCOCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@@H]1C ZINC001486182148 1193718797 /nfs/dbraw/zinc/71/87/97/1193718797.db2.gz XLLHLSXQBADBFQ-IRXDYDNUSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCC(C)(C)C ZINC001486302581 1193806887 /nfs/dbraw/zinc/80/68/87/1193806887.db2.gz FNMUZXUHNRUHKZ-IAGOWNOFSA-N 1 3 341.540 2.094 10 0 EEAEHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCc1ccc(F)c(F)c1 ZINC001410489529 1198042926 /nfs/dbraw/zinc/04/29/26/1198042926.db2.gz UFTUPCGBXOGXNR-DZGCQCFKSA-N 1 3 339.430 2.243 10 0 EEAEHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCc1ccc(F)c(F)c1 ZINC001410489529 1198042930 /nfs/dbraw/zinc/04/29/30/1198042930.db2.gz UFTUPCGBXOGXNR-DZGCQCFKSA-N 1 3 339.430 2.243 10 0 EEAEHO COC(=O)c1cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1C ZINC000872145876 1198053907 /nfs/dbraw/zinc/05/39/07/1198053907.db2.gz XXVNLYJETGLQRT-IEBWSBKVSA-N 1 3 346.471 2.500 10 0 EEAEHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnc3c(cnn3C)c2)[C@H](C)C1 ZINC000865465474 1198232975 /nfs/dbraw/zinc/23/29/75/1198232975.db2.gz AXBMOWPBUPQREN-CRAIPNDOSA-N 1 3 345.491 2.195 10 0 EEAEHO CN1CC[C@H]([NH2+]Cc2ccc(CN3CCNC3=O)cc2)CC1(C)C ZINC000865814300 1198388648 /nfs/dbraw/zinc/38/86/48/1198388648.db2.gz IIODKZSJYNWJBZ-KRWDZBQOSA-N 1 3 330.476 2.174 10 0 EEAEHO Cc1ccncc1CN1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001410905354 1198563065 /nfs/dbraw/zinc/56/30/65/1198563065.db2.gz PKNXBZAVASHTQD-ICSRJNTNSA-N 1 3 344.503 2.345 10 0 EEAEHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810194521 1199348317 /nfs/dbraw/zinc/34/83/17/1199348317.db2.gz DJVYGKGQSKYDLR-RVKKMQEKSA-N 1 3 327.488 2.436 10 0 EEAEHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810194521 1199348323 /nfs/dbraw/zinc/34/83/23/1199348323.db2.gz DJVYGKGQSKYDLR-RVKKMQEKSA-N 1 3 327.488 2.436 10 0 EEAEHO CC[N@H+](C)CCC(=O)NC/C=C/CN[C@H]1CCc2c1cccc2F ZINC001274489872 1205056063 /nfs/dbraw/zinc/05/60/63/1205056063.db2.gz NGHNIHRVXVNYDL-WRFKIARRSA-N 1 3 333.451 2.417 10 0 EEAEHO CC[N@@H+](C)CCC(=O)NC/C=C/CN[C@H]1CCc2c1cccc2F ZINC001274489872 1205056064 /nfs/dbraw/zinc/05/60/64/1205056064.db2.gz NGHNIHRVXVNYDL-WRFKIARRSA-N 1 3 333.451 2.417 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C\C[NH2+]CC[C@H]1CCCC1(F)F ZINC001274578841 1205086346 /nfs/dbraw/zinc/08/63/46/1205086346.db2.gz OULQBOQQHORFFK-DJYNDVHFSA-N 1 3 329.435 2.170 10 0 EEAEHO CN(CC(C)(C)C[NH2+]CCF)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001275710005 1205493386 /nfs/dbraw/zinc/49/33/86/1205493386.db2.gz NXUCUIQHBPJVIN-KRWDZBQOSA-N 1 3 333.467 2.243 10 0 EEAEHO COCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001275768709 1205519199 /nfs/dbraw/zinc/51/91/99/1205519199.db2.gz PXZDELWZYNLJOD-DLBZAZTESA-N 1 3 339.524 2.162 10 0 EEAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCS(=O)(=O)c1ccccc1 ZINC000925495472 1205540387 /nfs/dbraw/zinc/54/03/87/1205540387.db2.gz YPGJXFKSOCUVBK-IKGGRYGDSA-N 1 3 336.501 2.217 10 0 EEAEHO CN(CCC[NH2+][C@H]1CCCc2ccccc21)C(=O)Cc1c[nH]cn1 ZINC001276245395 1205852142 /nfs/dbraw/zinc/85/21/42/1205852142.db2.gz IMOYWLUYXKESCS-SFHVURJKSA-N 1 3 326.444 2.468 10 0 EEAEHO CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000926725538 1206240151 /nfs/dbraw/zinc/24/01/51/1206240151.db2.gz KBGRICQICXEZGZ-MSOLQXFVSA-N 1 3 341.499 2.403 10 0 EEAEHO C[C@@H]1CN(C[C@H]2CCCC3(CCC3)O2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000930136949 1206537091 /nfs/dbraw/zinc/53/70/91/1206537091.db2.gz PUXPFAMKQOJGJD-GUDVDZBRSA-N 1 3 335.536 2.436 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)CC2)CC1 ZINC000931217473 1206616815 /nfs/dbraw/zinc/61/68/15/1206616815.db2.gz RLMKGOQUPIBIRK-ZYSHUDEJSA-N 1 3 333.520 2.488 10 0 EEAEHO CC(=O)NCC1CCC(N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000903379883 1240348785 /nfs/dbraw/zinc/34/87/85/1240348785.db2.gz ZXNVCNYZQCQDHQ-KVZIAJEVSA-N 1 3 332.492 2.359 10 0 EEAEHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1ccccc1OC(F)F)C2 ZINC000903492666 1240657480 /nfs/dbraw/zinc/65/74/80/1240657480.db2.gz PNSQPUQEVNOKER-AHIWAGSCSA-N 1 3 340.370 2.000 10 0 EEAEHO Cc1c(C[C@@H](CN)C[NH2+]CC[C@H]2CCc3ccccc3N2)cnn1C ZINC000903932472 1242552795 /nfs/dbraw/zinc/55/27/95/1242552795.db2.gz RWJDHHAGFKSCCZ-QFBILLFUSA-N 1 3 341.503 2.253 10 0 EEAEHO CCOCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001491287629 1258906162 /nfs/dbraw/zinc/90/61/62/1258906162.db2.gz OPKQDPFFJHWHTL-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO CCOCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001491287629 1258906168 /nfs/dbraw/zinc/90/61/68/1258906168.db2.gz OPKQDPFFJHWHTL-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cnn4ccccc34)cc2)C1 ZINC000850357877 1277197143 /nfs/dbraw/zinc/19/71/43/1277197143.db2.gz XBWAIUIGLURSRB-LJQANCHMSA-N 1 3 336.439 2.191 10 0 EEAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cnn4ccccc34)cc2)C1 ZINC000850357877 1277197144 /nfs/dbraw/zinc/19/71/44/1277197144.db2.gz XBWAIUIGLURSRB-LJQANCHMSA-N 1 3 336.439 2.191 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(CCCCCF)C1 ZINC001490549769 1291422794 /nfs/dbraw/zinc/42/27/94/1291422794.db2.gz GLTRTZZONLAPAA-IAGOWNOFSA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(CCCCCF)C1 ZINC001490549769 1291422803 /nfs/dbraw/zinc/42/28/03/1291422803.db2.gz GLTRTZZONLAPAA-IAGOWNOFSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc2cnccc2c1 ZINC000862167319 1295733376 /nfs/dbraw/zinc/73/33/76/1295733376.db2.gz ULOMYRGNMYWPFB-INIZCTEOSA-N 1 3 342.487 2.166 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc2cnccc2c1 ZINC000862167319 1295733388 /nfs/dbraw/zinc/73/33/88/1295733388.db2.gz ULOMYRGNMYWPFB-INIZCTEOSA-N 1 3 342.487 2.166 10 0 EEAEHO C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)NCc1cccnc1 ZINC001491561563 1304829067 /nfs/dbraw/zinc/82/90/67/1304829067.db2.gz YWRBOJPVEHDLLF-LPHOPBHVSA-N 1 3 344.503 2.473 10 0 EEAEHO C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)NCc1cccnc1 ZINC001491561563 1304829073 /nfs/dbraw/zinc/82/90/73/1304829073.db2.gz YWRBOJPVEHDLLF-LPHOPBHVSA-N 1 3 344.503 2.473 10 0 EEAEHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCCCC(F)(F)F)C2)C1 ZINC001265494441 1323182829 /nfs/dbraw/zinc/18/28/29/1323182829.db2.gz OYLDQWLUBPBYSF-IHRRRGAJSA-N 1 3 335.414 2.298 10 0 EEAEHO COCCCC[N@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001282462548 1325726992 /nfs/dbraw/zinc/72/69/92/1325726992.db2.gz WAOPEXZMBFSFKS-CRAIPNDOSA-N 1 3 345.503 2.062 10 0 EEAEHO COCCCC[N@@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001282462548 1325726993 /nfs/dbraw/zinc/72/69/93/1325726993.db2.gz WAOPEXZMBFSFKS-CRAIPNDOSA-N 1 3 345.503 2.062 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1oc(C)nc1C ZINC001492128800 1330981380 /nfs/dbraw/zinc/98/13/80/1330981380.db2.gz FYGQBHDVFRSXIW-CJNGLKHVSA-N 1 3 336.480 2.150 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]CC[C@@H]1CCCCO1 ZINC001317197411 1332126519 /nfs/dbraw/zinc/12/65/19/1332126519.db2.gz UVEDGODWRLFWOY-ROUUACIJSA-N 1 3 339.524 2.258 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@@H](C[NH2+]CCC3CC3)C2)C1 ZINC001317339389 1332185678 /nfs/dbraw/zinc/18/56/78/1332185678.db2.gz SEICTZGARGPVOU-LPHOPBHVSA-N 1 3 339.499 2.437 10 0 EEAEHO CC(C)OCCCN1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001317972370 1332454814 /nfs/dbraw/zinc/45/48/14/1332454814.db2.gz DXVVPNHTHRKNQX-ROUUACIJSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)OCCCN1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001317972370 1332454816 /nfs/dbraw/zinc/45/48/16/1332454816.db2.gz DXVVPNHTHRKNQX-ROUUACIJSA-N 1 3 339.524 2.257 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cccnc2)C1)N(C)C ZINC001318805728 1332601716 /nfs/dbraw/zinc/60/17/16/1332601716.db2.gz PCQWWDHPMSLMHT-FUHWJXTLSA-N 1 3 332.492 2.140 10 0 EEAEHO CC(C)c1cccc(C[NH2+]CCCN(C)C(=O)CN2CC[C@@H](C)C2)n1 ZINC001322694797 1333309361 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COCCC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C(C)(C)C ZINC001332837479 1335916801 /nfs/dbraw/zinc/91/68/01/1335916801.db2.gz LEWWJTYBPIUFLC-HNNXBMFYSA-N 1 3 327.513 2.018 10 0 EEAEHO CO[C@H](C[N@H+]1CC=C(CNC(=O)C2(N(C)C)CCC2)CC1)C1CCC1 ZINC001333354831 1336018731 /nfs/dbraw/zinc/01/87/31/1336018731.db2.gz QRAQSSBAUCOHDH-GOSISDBHSA-N 1 3 349.519 2.034 10 0 EEAEHO CO[C@H](C[N@@H+]1CC=C(CNC(=O)C2(N(C)C)CCC2)CC1)C1CCC1 ZINC001333354831 1336018734 /nfs/dbraw/zinc/01/87/34/1336018734.db2.gz QRAQSSBAUCOHDH-GOSISDBHSA-N 1 3 349.519 2.034 10 0 EEAEHO CCC1([NH2+]Cc2ocnc2C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001502496151 1342198048 /nfs/dbraw/zinc/19/80/48/1342198048.db2.gz IMSNPTIYEYYFJQ-UHFFFAOYSA-N 1 3 348.491 2.328 10 0 EEAEHO Cc1noc(C)c1CNCCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001676002607 1357086102 /nfs/dbraw/zinc/08/61/02/1357086102.db2.gz WHJOFVGBEYLJDR-BBRMVZONSA-N 1 3 336.480 2.008 10 0 EEAEHO Cc1noc(C)c1CNCCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001676002607 1357086105 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Cc1cccc(NCCNC(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)n1 ZINC001685360966 1358318379 /nfs/dbraw/zinc/31/83/79/1358318379.db2.gz QIIJGNLYROADGT-INIZCTEOSA-N 1 3 333.480 2.174 10 0 EEAEHO Cc1cccc(NCCNC(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)n1 ZINC001685360966 1358318382 /nfs/dbraw/zinc/31/83/82/1358318382.db2.gz QIIJGNLYROADGT-INIZCTEOSA-N 1 3 333.480 2.174 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1cc(C2CC2)no1)NC(=O)C1(N(C)C)CCC1 ZINC001699105512 1405259106 /nfs/dbraw/zinc/25/91/06/1405259106.db2.gz GTMTUYPOXKVXOY-ZDUSSCGKSA-N 1 3 334.464 2.021 10 0 EEAEHO O[C@]1(c2ccc(F)cc2)CCN(Cc2ccnn2-c2ccncc2)C1 ZINC000825412655 788620451 /nfs/dbraw/zinc/62/04/51/788620451.db2.gz LABGDVVPXUXDCC-LJQANCHMSA-N 1 3 338.386 2.500 10 0 EEAEHO O[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000825412655 788620456 /nfs/dbraw/zinc/62/04/56/788620456.db2.gz LABGDVVPXUXDCC-LJQANCHMSA-N 1 3 338.386 2.500 10 0 EEAEHO O[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000825412655 788620459 /nfs/dbraw/zinc/62/04/59/788620459.db2.gz LABGDVVPXUXDCC-LJQANCHMSA-N 1 3 338.386 2.500 10 0 EEAEHO COC(=O)c1cc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c(C)s1 ZINC000923452429 789585254 /nfs/dbraw/zinc/58/52/54/789585254.db2.gz UXCLODPHJRIALX-AWEZNQCLSA-N 1 3 338.473 2.173 10 0 EEAEHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000921848113 797203069 /nfs/dbraw/zinc/20/30/69/797203069.db2.gz GLFVBQYXSNJZOL-PBWTXFEYSA-N 1 3 344.503 2.289 10 0 EEAEHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000921848113 797203074 /nfs/dbraw/zinc/20/30/74/797203074.db2.gz GLFVBQYXSNJZOL-PBWTXFEYSA-N 1 3 344.503 2.289 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@H+](C)C[C@H]2CCCCO2)C1 ZINC001436855142 1088501078 /nfs/dbraw/zinc/50/10/78/1088501078.db2.gz VZQPETUNSVAXEL-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)C[C@H]2CCCCO2)C1 ZINC001436855142 1088501090 /nfs/dbraw/zinc/50/10/90/1088501090.db2.gz VZQPETUNSVAXEL-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@H+](Cc3cccnc3)CC[C@H]21 ZINC001436946982 1088630837 /nfs/dbraw/zinc/63/08/37/1088630837.db2.gz VABDVTDAWAGNHH-RTBURBONSA-N 1 3 344.503 2.235 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@@H+](Cc3cccnc3)CC[C@H]21 ZINC001436946982 1088630841 /nfs/dbraw/zinc/63/08/41/1088630841.db2.gz VABDVTDAWAGNHH-RTBURBONSA-N 1 3 344.503 2.235 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001436978226 1088675619 /nfs/dbraw/zinc/67/56/19/1088675619.db2.gz XVLBEFNDHIOMAQ-GASCZTMLSA-N 1 3 331.451 2.391 10 0 EEAEHO Cc1cncc(C[N@H+]2CCC[C@H]([C@H](C)NC(=O)CN(C)C(C)C)C2)c1 ZINC001437058715 1088953777 /nfs/dbraw/zinc/95/37/77/1088953777.db2.gz KOTYWNKGJFQENJ-HKUYNNGSSA-N 1 3 346.519 2.447 10 0 EEAEHO Cc1cncc(C[N@@H+]2CCC[C@H]([C@H](C)NC(=O)CN(C)C(C)C)C2)c1 ZINC001437058715 1088953794 /nfs/dbraw/zinc/95/37/94/1088953794.db2.gz KOTYWNKGJFQENJ-HKUYNNGSSA-N 1 3 346.519 2.447 10 0 EEAEHO Cc1cncc(C[N@H+]2CCC[C@H]([C@@H](C)NC(=O)CN(C)C(C)C)C2)c1 ZINC001437058718 1088958003 /nfs/dbraw/zinc/95/80/03/1088958003.db2.gz KOTYWNKGJFQENJ-MJGOQNOKSA-N 1 3 346.519 2.447 10 0 EEAEHO Cc1cncc(C[N@@H+]2CCC[C@H]([C@@H](C)NC(=O)CN(C)C(C)C)C2)c1 ZINC001437058718 1088958014 /nfs/dbraw/zinc/95/80/14/1088958014.db2.gz KOTYWNKGJFQENJ-MJGOQNOKSA-N 1 3 346.519 2.447 10 0 EEAEHO C[C@H](CNCc1cncs1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001445432872 1091190504 /nfs/dbraw/zinc/19/05/04/1091190504.db2.gz DXCLJYXWKWGHRK-CQSZACIVSA-N 1 3 346.500 2.155 10 0 EEAEHO CC(C)[C@@H](CNC(=O)CC[NH+](C)C)NCc1ccc(F)cc1F ZINC001438831915 1091453759 /nfs/dbraw/zinc/45/37/59/1091453759.db2.gz STAMUTDQGFMPQT-MRXNPFEDSA-N 1 3 327.419 2.147 10 0 EEAEHO CN(CCN(C)C(=O)CC[NH+](C)C)Cc1ccc2ncccc2c1 ZINC001438905373 1091567715 /nfs/dbraw/zinc/56/77/15/1091567715.db2.gz XEASWRBMQIXRPE-UHFFFAOYSA-N 1 3 328.460 2.077 10 0 EEAEHO Cc1ncc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CN(C)C(C)C)s1 ZINC001438967669 1091660288 /nfs/dbraw/zinc/66/02/88/1091660288.db2.gz SHGVTWHRATZRER-HOCLYGCPSA-N 1 3 338.521 2.166 10 0 EEAEHO CN(CCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)Cc1cccnc1 ZINC001440469873 1093695914 /nfs/dbraw/zinc/69/59/14/1093695914.db2.gz SDRBOQCSOODCGM-RBUKOAKNSA-N 1 3 346.519 2.482 10 0 EEAEHO Cc1ncccc1CN[C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001448777359 1093856588 /nfs/dbraw/zinc/85/65/88/1093856588.db2.gz OHISNOJBBXGOFA-QFBILLFUSA-N 1 3 346.519 2.447 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](CNCc2c(F)cccc2F)C1 ZINC001449051561 1094065088 /nfs/dbraw/zinc/06/50/88/1094065088.db2.gz HDSUGGHDKLRACG-UONOGXRCSA-N 1 3 339.430 2.291 10 0 EEAEHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)CCc1ccccc1F ZINC001440923098 1094176537 /nfs/dbraw/zinc/17/65/37/1094176537.db2.gz IEQZSCSEBFCOLY-QAPCUYQASA-N 1 3 347.478 2.147 10 0 EEAEHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc2cc[nH]c2c1)N(C)C ZINC001440934802 1094187628 /nfs/dbraw/zinc/18/76/28/1094187628.db2.gz ORZYKLHFTNLLKQ-RDTXWAMCSA-N 1 3 330.476 2.445 10 0 EEAEHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc2cc[nH]c2c1)N(C)C ZINC001440934802 1094187629 /nfs/dbraw/zinc/18/76/29/1094187629.db2.gz ORZYKLHFTNLLKQ-RDTXWAMCSA-N 1 3 330.476 2.445 10 0 EEAEHO Cc1ncccc1C[NH+]1CCC([C@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001449365574 1094330657 /nfs/dbraw/zinc/33/06/57/1094330657.db2.gz KFURKTYFYBGOQD-KRWDZBQOSA-N 1 3 346.519 2.447 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001441202759 1094563794 /nfs/dbraw/zinc/56/37/94/1094563794.db2.gz XZQIQPHKMWEFOJ-HOTGVXAUSA-N 1 3 343.462 2.389 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C)C[C@H]21 ZINC001441301728 1094748211 /nfs/dbraw/zinc/74/82/11/1094748211.db2.gz CVQYVZJAQMCGLH-LDLYASANSA-N 1 3 347.478 2.270 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C)C[C@H]21 ZINC001441301728 1094748220 /nfs/dbraw/zinc/74/82/20/1094748220.db2.gz CVQYVZJAQMCGLH-LDLYASANSA-N 1 3 347.478 2.270 10 0 EEAEHO CN(C)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC4CCCCC4)C[C@H]32)CCC1 ZINC001441319494 1094774604 /nfs/dbraw/zinc/77/46/04/1094774604.db2.gz YOLVPZYHTHBSBQ-NNZMDNLPSA-N 1 3 333.520 2.345 10 0 EEAEHO CN(C)C1(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC4CCCCC4)C[C@H]32)CCC1 ZINC001441319494 1094774615 /nfs/dbraw/zinc/77/46/15/1094774615.db2.gz YOLVPZYHTHBSBQ-NNZMDNLPSA-N 1 3 333.520 2.345 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN(Cc3ccccc3F)C2)C1 ZINC001442909374 1097315226 /nfs/dbraw/zinc/31/52/26/1097315226.db2.gz UOJAKCTUJZPZFU-HOTGVXAUSA-N 1 3 333.451 2.106 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN(Cc3ccccc3F)C2)C1 ZINC001442909374 1097315229 /nfs/dbraw/zinc/31/52/29/1097315229.db2.gz UOJAKCTUJZPZFU-HOTGVXAUSA-N 1 3 333.451 2.106 10 0 EEAEHO COc1ccc(CN(CCNC(=O)C[C@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC001443043087 1097451405 /nfs/dbraw/zinc/45/14/05/1097451405.db2.gz IYSDTSWOBOXVJQ-QGZVFWFLSA-N 1 3 345.487 2.118 10 0 EEAEHO COc1ccc(CN(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001443043087 1097451407 /nfs/dbraw/zinc/45/14/07/1097451407.db2.gz IYSDTSWOBOXVJQ-QGZVFWFLSA-N 1 3 345.487 2.118 10 0 EEAEHO C[NH+](C)CCC(=O)NC[C@H](NC[C@H]1CC(C)(C)CO1)c1ccccc1 ZINC001443133101 1097558502 /nfs/dbraw/zinc/55/85/02/1097558502.db2.gz REPWRMMRHNLVHG-MSOLQXFVSA-N 1 3 347.503 2.200 10 0 EEAEHO CN(C(=O)NC[C@H]1CCCCN1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001479490572 1098562894 /nfs/dbraw/zinc/56/28/94/1098562894.db2.gz KURRHQYGCSEASA-MOPGFXCFSA-N 1 3 344.503 2.387 10 0 EEAEHO CN(C(=O)NC[C@H]1CCCCN1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001479490572 1098562901 /nfs/dbraw/zinc/56/29/01/1098562901.db2.gz KURRHQYGCSEASA-MOPGFXCFSA-N 1 3 344.503 2.387 10 0 EEAEHO COc1cccc([C@@H](C)[NH2+]C[C@H](C)CNC(=O)Cc2nc[nH]c2C)c1 ZINC001444427885 1099051336 /nfs/dbraw/zinc/05/13/36/1099051336.db2.gz UUKLGOVMCLCCRU-UONOGXRCSA-N 1 3 344.459 2.372 10 0 EEAEHO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)on1 ZINC001444817881 1099748013 /nfs/dbraw/zinc/74/80/13/1099748013.db2.gz NKCVSZQKNFXZDZ-JKSUJKDBSA-N 1 3 336.480 2.040 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1CNCc1nc2ccccc2o1 ZINC001445120925 1100369094 /nfs/dbraw/zinc/36/90/94/1100369094.db2.gz SZIUJDKCGGSYCL-LSDHHAIUSA-N 1 3 344.459 2.154 10 0 EEAEHO COCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CCCCC1 ZINC001496314551 1100907918 /nfs/dbraw/zinc/90/79/18/1100907918.db2.gz OUYMUFBBTAUUPV-ROUUACIJSA-N 1 3 339.524 2.160 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@](C)(CNCc1ccc(F)cc1F)C1CC1 ZINC001495275548 1100971945 /nfs/dbraw/zinc/97/19/45/1100971945.db2.gz BIQBMTKTQDUCBN-GOSISDBHSA-N 1 3 339.430 2.291 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+]C[C@H]1CCCOC1 ZINC001496419926 1101013916 /nfs/dbraw/zinc/01/39/16/1101013916.db2.gz VKYWHTPJFYCVFN-MSOLQXFVSA-N 1 3 339.524 2.116 10 0 EEAEHO Cc1ccncc1C[NH2+]C[C@@]1(C)CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001446614523 1101118359 /nfs/dbraw/zinc/11/83/59/1101118359.db2.gz QSMNMVIJGZQIIQ-OXJNMPFZSA-N 1 3 344.503 2.060 10 0 EEAEHO CN(C)c1cccc(C[N@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001496717460 1101329891 /nfs/dbraw/zinc/32/98/91/1101329891.db2.gz UPMJSGYQVBXHRX-UHFFFAOYSA-N 1 3 346.519 2.127 10 0 EEAEHO CN(C)c1cccc(C[N@@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001496717460 1101329902 /nfs/dbraw/zinc/32/99/02/1101329902.db2.gz UPMJSGYQVBXHRX-UHFFFAOYSA-N 1 3 346.519 2.127 10 0 EEAEHO O=C(NC/C=C/CNCc1cccc(Cl)c1)[C@H]1C[NH+]2CCC1CC2 ZINC001497578082 1102691236 /nfs/dbraw/zinc/69/12/36/1102691236.db2.gz GJSXOAZNDGTIQV-KROLTMCQSA-N 1 3 347.890 2.444 10 0 EEAEHO Cc1cccnc1CN(C)C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001494170919 1103637432 /nfs/dbraw/zinc/63/74/32/1103637432.db2.gz FWAFBWSNHIKQJM-SFHVURJKSA-N 1 3 346.519 2.402 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)NCc1ncccc1C ZINC001495014644 1104657619 /nfs/dbraw/zinc/65/76/19/1104657619.db2.gz ZJTMEWASMLYUPW-HKUYNNGSSA-N 1 3 346.519 2.495 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)NCc1ncccc1C ZINC001495014644 1104657621 /nfs/dbraw/zinc/65/76/21/1104657621.db2.gz ZJTMEWASMLYUPW-HKUYNNGSSA-N 1 3 346.519 2.495 10 0 EEAEHO CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)NCc1ncccc1C ZINC001495014645 1104657891 /nfs/dbraw/zinc/65/78/91/1104657891.db2.gz ZJTMEWASMLYUPW-IEBWSBKVSA-N 1 3 346.519 2.495 10 0 EEAEHO CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)NCc1ncccc1C ZINC001495014645 1104657896 /nfs/dbraw/zinc/65/78/96/1104657896.db2.gz ZJTMEWASMLYUPW-IEBWSBKVSA-N 1 3 346.519 2.495 10 0 EEAEHO CC[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001495060106 1104697332 /nfs/dbraw/zinc/69/73/32/1104697332.db2.gz XOWZGEGFNGNEMO-CVEARBPZSA-N 1 3 341.540 2.264 10 0 EEAEHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(CF)cc1 ZINC001480791053 1107122233 /nfs/dbraw/zinc/12/22/33/1107122233.db2.gz UNWUCDDHMLWGAZ-HZPDHXFCSA-N 1 3 335.467 2.482 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)Cc2ccc(OC)cc2)CC[N@@H+]1C ZINC001498286660 1107217490 /nfs/dbraw/zinc/21/74/90/1107217490.db2.gz BNSCRNKNEZXTKY-AYOQOUSVSA-N 1 3 347.503 2.362 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)Cc2ccc(OC)cc2)CC[N@H+]1C ZINC001498286660 1107217496 /nfs/dbraw/zinc/21/74/96/1107217496.db2.gz BNSCRNKNEZXTKY-AYOQOUSVSA-N 1 3 347.503 2.362 10 0 EEAEHO Cc1nc(CNC[C@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)c(C)o1 ZINC001498490640 1107626525 /nfs/dbraw/zinc/62/65/25/1107626525.db2.gz ORZPFUZCRALYEK-HZPDHXFCSA-N 1 3 336.480 2.008 10 0 EEAEHO CC(C)(C(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CC1)N1CCCCC1 ZINC001498760636 1108045509 /nfs/dbraw/zinc/04/55/09/1108045509.db2.gz ORWBBDKNUPLUMI-RZIFZGNASA-N 1 3 327.900 2.488 10 0 EEAEHO C[C@H](F)CCN1CCC(F)(F)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001500613182 1112976858 /nfs/dbraw/zinc/97/68/58/1112976858.db2.gz CHXKLNBASYKTDR-UONOGXRCSA-N 1 3 337.430 2.150 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001501145700 1113214262 /nfs/dbraw/zinc/21/42/62/1113214262.db2.gz FUWJVYJJFOHALY-RBVCKMPFSA-N 1 3 336.307 2.331 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001501145700 1113214264 /nfs/dbraw/zinc/21/42/64/1113214264.db2.gz FUWJVYJJFOHALY-RBVCKMPFSA-N 1 3 336.307 2.331 10 0 EEAEHO CC(C)n1ccc(CNC2(C)CCN(C(=O)CCC[NH+](C)C)CC2)n1 ZINC001502795445 1113802786 /nfs/dbraw/zinc/80/27/86/1113802786.db2.gz MAXRVKKHFIRHAP-UHFFFAOYSA-N 1 3 349.523 2.277 10 0 EEAEHO Cc1ncoc1CNCC(C)(C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001505820124 1114213680 /nfs/dbraw/zinc/21/36/80/1114213680.db2.gz JZHOIYPCMCWLEV-UHFFFAOYSA-N 1 3 348.491 2.186 10 0 EEAEHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001505935257 1114288068 /nfs/dbraw/zinc/28/80/68/1114288068.db2.gz DKPAKOMKIOPJHJ-KGLIPLIRSA-N 1 3 331.451 2.343 10 0 EEAEHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001505935257 1114288070 /nfs/dbraw/zinc/28/80/70/1114288070.db2.gz DKPAKOMKIOPJHJ-KGLIPLIRSA-N 1 3 331.451 2.343 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)NC2(CNCc3cncc(F)c3)CCCCC2)C1 ZINC001506525653 1114674534 /nfs/dbraw/zinc/67/45/34/1114674534.db2.gz MGJNSIFGJDMVEP-INIZCTEOSA-N 1 3 348.466 2.081 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)NC2(CNCc3cncc(F)c3)CCCCC2)C1 ZINC001506525653 1114674536 /nfs/dbraw/zinc/67/45/36/1114674536.db2.gz MGJNSIFGJDMVEP-INIZCTEOSA-N 1 3 348.466 2.081 10 0 EEAEHO Cc1noc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001506938086 1114987716 /nfs/dbraw/zinc/98/77/16/1114987716.db2.gz KWBCGGRCBNIOCI-UONOGXRCSA-N 1 3 336.480 2.008 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]CCc1ccc(Cl)cc1 ZINC001568206332 1124354333 /nfs/dbraw/zinc/35/43/33/1124354333.db2.gz UYKLEOJBSOAPCI-ZDUSSCGKSA-N 1 3 348.878 2.499 10 0 EEAEHO Cc1nsc(C)c1C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001568700865 1124716214 /nfs/dbraw/zinc/71/62/14/1124716214.db2.gz XTURPEHSDVFSGC-LRDDRELGSA-N 1 3 340.537 2.331 10 0 EEAEHO O=C(NC/C=C\CNCc1ccsc1)C12CCC[NH+](CCC1)C2 ZINC001568870966 1124896808 /nfs/dbraw/zinc/89/68/08/1124896808.db2.gz IJUKWXONFXXHEV-UPHRSURJSA-N 1 3 333.501 2.386 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C\C[NH2+][C@H]1CCCc2ccccc21 ZINC001568964809 1125001252 /nfs/dbraw/zinc/00/12/52/1125001252.db2.gz XOEKTOCCZUDRQQ-LLHWWHOWSA-N 1 3 327.472 2.422 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(F)cc1 ZINC001568969156 1125006473 /nfs/dbraw/zinc/00/64/73/1125006473.db2.gz IZBMUXLJYRVYSW-SHCNBLLESA-N 1 3 333.451 2.462 10 0 EEAEHO COc1cc(OC)cc(N2CC[C@H](CN[C@H]3C[NH2+]CC[C@H]3C)C2)c1 ZINC000422869894 240268244 /nfs/dbraw/zinc/26/82/44/240268244.db2.gz AYPGMJCMTJLWMS-CLCXKQKWSA-N 1 3 333.476 2.118 10 0 EEAEHO COc1cc(OC)cc(N2CC[C@H](CN[C@@H]3C[NH2+]CC[C@H]3C)C2)c1 ZINC000422869897 240269437 /nfs/dbraw/zinc/26/94/37/240269437.db2.gz AYPGMJCMTJLWMS-SPYBWZPUSA-N 1 3 333.476 2.118 10 0 EEAEHO CN(C)CCOc1cccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000236978371 204211400 /nfs/dbraw/zinc/21/14/00/204211400.db2.gz YJJSIWKUFJHWDJ-WDSOQIARSA-N 1 3 345.487 2.164 10 0 EEAEHO CN(CCN(Cc1ccccc1)C(=O)CC[NH3+])Cc1ccccc1 ZINC000237133170 204397370 /nfs/dbraw/zinc/39/73/70/204397370.db2.gz LZVNJLCAFGPBPH-UHFFFAOYSA-N 1 3 325.456 2.496 10 0 EEAEHO c1ccc(C[N@H+]2CC[C@@H](N3CCN(CC4CCOCC4)CC3)C2)cc1 ZINC000271256305 256225987 /nfs/dbraw/zinc/22/59/87/256225987.db2.gz GYUTTXKVOUOMKX-OAQYLSRUSA-N 1 3 343.515 2.305 10 0 EEAEHO c1ccc(C[N@@H+]2CC[C@@H](N3CCN(CC4CCOCC4)CC3)C2)cc1 ZINC000271256305 256225989 /nfs/dbraw/zinc/22/59/89/256225989.db2.gz GYUTTXKVOUOMKX-OAQYLSRUSA-N 1 3 343.515 2.305 10 0 EEAEHO C[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000110702333 159361423 /nfs/dbraw/zinc/36/14/23/159361423.db2.gz NTSRYWMVRIRAFU-YLJYHZDGSA-N 1 3 343.515 2.492 10 0 EEAEHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245688421 160247731 /nfs/dbraw/zinc/24/77/31/160247731.db2.gz WQWXWXMHSKHKJB-NEWSRXKRSA-N 1 3 344.503 2.463 10 0 EEAEHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245688421 160247732 /nfs/dbraw/zinc/24/77/32/160247732.db2.gz WQWXWXMHSKHKJB-NEWSRXKRSA-N 1 3 344.503 2.463 10 0 EEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000247401891 160323315 /nfs/dbraw/zinc/32/33/15/160323315.db2.gz REEYNPVJCJSDHB-CRAIPNDOSA-N 1 3 332.492 2.276 10 0 EEAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000247401891 160323316 /nfs/dbraw/zinc/32/33/16/160323316.db2.gz REEYNPVJCJSDHB-CRAIPNDOSA-N 1 3 332.492 2.276 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277337412 274285113 /nfs/dbraw/zinc/28/51/13/274285113.db2.gz SFRIXPWBDGPNJS-MRXNPFEDSA-N 1 3 333.476 2.183 10 0 EEAEHO Cc1nc2ccccn2c(=O)c1CCN(C)C1CC[NH+](C(C)C)CC1 ZINC000289766596 275146864 /nfs/dbraw/zinc/14/68/64/275146864.db2.gz KBVBAQWVJXVZOD-UHFFFAOYSA-N 1 3 342.487 2.350 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1Cc1ccccc1 ZINC000291704897 275331972 /nfs/dbraw/zinc/33/19/72/275331972.db2.gz FTYZCGAPJUWNGD-OGWHTMIXSA-N 1 3 329.488 2.496 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1Cc1ccccc1 ZINC000291704897 275331973 /nfs/dbraw/zinc/33/19/73/275331973.db2.gz FTYZCGAPJUWNGD-OGWHTMIXSA-N 1 3 329.488 2.496 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000265303129 289172381 /nfs/dbraw/zinc/17/23/81/289172381.db2.gz MXGACTCOIILREN-INIZCTEOSA-N 1 3 333.476 2.041 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000265303129 289172384 /nfs/dbraw/zinc/17/23/84/289172384.db2.gz MXGACTCOIILREN-INIZCTEOSA-N 1 3 333.476 2.041 10 0 EEAEHO CN1CCC(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)(N2CCOCC2)CC1 ZINC000414205223 312982202 /nfs/dbraw/zinc/98/22/02/312982202.db2.gz XCVWNGWNDRAQRF-MOPGFXCFSA-N 1 3 335.536 2.341 10 0 EEAEHO CN(C)[C@@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000416813073 313323536 /nfs/dbraw/zinc/32/35/36/313323536.db2.gz UCTUQIZERATROB-PKOBYXMFSA-N 1 3 330.476 2.074 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000416838833 313330367 /nfs/dbraw/zinc/33/03/67/313330367.db2.gz JGSYEJFPUWKDNT-KBAYOESNSA-N 1 3 332.492 2.367 10 0 EEAEHO O=C(NCC[C@H]1CCC[NH2+]1)NC1CCN(CCc2ccccc2)CC1 ZINC000416970133 313376582 /nfs/dbraw/zinc/37/65/82/313376582.db2.gz DLVLHPGLKYYZDU-GOSISDBHSA-N 1 3 344.503 2.135 10 0 EEAEHO CN1CCN(CC[NH2+]Cc2cnc(-c3ccncc3)s2)CC1(C)C ZINC000441367363 315183104 /nfs/dbraw/zinc/18/31/04/315183104.db2.gz HMWWSTUEYZTKCP-UHFFFAOYSA-N 1 3 345.516 2.321 10 0 EEAEHO [NH3+]C1(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CCCCCC1 ZINC000564214512 319073088 /nfs/dbraw/zinc/07/30/88/319073088.db2.gz POVIWMBPFDSEPK-SFHVURJKSA-N 1 3 344.503 2.462 10 0 EEAEHO CC[NH+]1CCC(CCNC(=O)N2CCc3ccccc3[C@@H]2CN)CC1 ZINC000568388317 319484250 /nfs/dbraw/zinc/48/42/50/319484250.db2.gz PXYHEIGWVSEJBS-IBGZPJMESA-N 1 3 344.503 2.376 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000572368164 319839806 /nfs/dbraw/zinc/83/98/06/319839806.db2.gz VVTDXLANXAAKRY-IRXDYDNUSA-N 1 3 345.487 2.089 10 0 EEAEHO COc1ccc(CCC2CCN(CCN3CC[NH2+]CC3)CC2)cc1 ZINC000574400149 320021682 /nfs/dbraw/zinc/02/16/82/320021682.db2.gz ARVPYHWZHWALCX-UHFFFAOYSA-N 1 3 331.504 2.245 10 0 EEAEHO NC[C@H](C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)c1ccccc1 ZINC000579228982 323805600 /nfs/dbraw/zinc/80/56/00/323805600.db2.gz UKLLURXFZKPQRB-QYZOEREBSA-N 1 3 341.430 2.211 10 0 EEAEHO COc1cnccc1N1CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000358314199 465054623 /nfs/dbraw/zinc/05/46/23/465054623.db2.gz UZSODCVQFRQGMR-JYJNAYRXSA-N 1 3 346.475 2.000 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(=O)OC)C2)CC1 ZINC000351601560 465246693 /nfs/dbraw/zinc/24/66/93/465246693.db2.gz ISSFFCFYVFHILK-GOSISDBHSA-N 1 3 345.487 2.214 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(=O)OC)C2)CC1 ZINC000351601560 465246698 /nfs/dbraw/zinc/24/66/98/465246698.db2.gz ISSFFCFYVFHILK-GOSISDBHSA-N 1 3 345.487 2.214 10 0 EEAEHO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000118785110 462853029 /nfs/dbraw/zinc/85/30/29/462853029.db2.gz VGGOGEQPTOWPFO-QGZVFWFLSA-N 1 3 346.519 2.289 10 0 EEAEHO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000118785110 462853033 /nfs/dbraw/zinc/85/30/33/462853033.db2.gz VGGOGEQPTOWPFO-QGZVFWFLSA-N 1 3 346.519 2.289 10 0 EEAEHO Cc1ccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000050797022 463010255 /nfs/dbraw/zinc/01/02/55/463010255.db2.gz IBPRHJNEZGFBHD-UHFFFAOYSA-N 1 3 335.517 2.274 10 0 EEAEHO CC1CC[NH+](C2CCC(NC(=O)NC[C@@H]3CCCN3C)CC2)CC1 ZINC000123656003 463359259 /nfs/dbraw/zinc/35/92/59/463359259.db2.gz HMRRQQNSNKMTNA-ABHNRTSZSA-N 1 3 336.524 2.423 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000072956385 463565753 /nfs/dbraw/zinc/56/57/53/463565753.db2.gz JIHJYDVBHKXOJA-INIZCTEOSA-N 1 3 344.503 2.455 10 0 EEAEHO CN(C)[C@H]1CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000170828675 463716080 /nfs/dbraw/zinc/71/60/80/463716080.db2.gz SFACHEAAUHVLKA-IBGZPJMESA-N 1 3 344.503 2.039 10 0 EEAEHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2(N)CCOCC2)C1 ZINC000261868102 463882418 /nfs/dbraw/zinc/88/24/18/463882418.db2.gz NUEOYGVYRCTJOO-MRXNPFEDSA-N 1 3 345.487 2.043 10 0 EEAEHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2(N)CCOCC2)C1 ZINC000261868102 463882425 /nfs/dbraw/zinc/88/24/25/463882425.db2.gz NUEOYGVYRCTJOO-MRXNPFEDSA-N 1 3 345.487 2.043 10 0 EEAEHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179189285 464078135 /nfs/dbraw/zinc/07/81/35/464078135.db2.gz MATCEYBAIZQSFH-BPQIPLTHSA-N 1 3 332.492 2.461 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179201866 464081055 /nfs/dbraw/zinc/08/10/55/464081055.db2.gz AQDXTLIXECERDV-KZNAEPCWSA-N 1 3 330.476 2.215 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179201866 464081058 /nfs/dbraw/zinc/08/10/58/464081058.db2.gz AQDXTLIXECERDV-KZNAEPCWSA-N 1 3 330.476 2.215 10 0 EEAEHO CN(CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000264787821 464466158 /nfs/dbraw/zinc/46/61/58/464466158.db2.gz CNGMAOXYGOFULM-UHFFFAOYSA-N 1 3 330.476 2.176 10 0 EEAEHO C[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182938964 464762223 /nfs/dbraw/zinc/76/22/23/464762223.db2.gz PIYQJZYAAOHQJJ-LNLFQRSKSA-N 1 3 346.519 2.295 10 0 EEAEHO C[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182938964 464762227 /nfs/dbraw/zinc/76/22/27/464762227.db2.gz PIYQJZYAAOHQJJ-LNLFQRSKSA-N 1 3 346.519 2.295 10 0 EEAEHO COc1ccc([C@H](CN(C)C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000286284691 464867800 /nfs/dbraw/zinc/86/78/00/464867800.db2.gz WQNASPOJYABXQM-ZVZYQTTQSA-N 1 3 333.476 2.144 10 0 EEAEHO COc1ccc([C@H](CN(C)C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000286284691 464867806 /nfs/dbraw/zinc/86/78/06/464867806.db2.gz WQNASPOJYABXQM-ZVZYQTTQSA-N 1 3 333.476 2.144 10 0 EEAEHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000339939491 465618938 /nfs/dbraw/zinc/61/89/38/465618938.db2.gz CPSJNPRWGOKXQG-FUHWJXTLSA-N 1 3 334.508 2.189 10 0 EEAEHO O=C(CC1(N2CCOCC2)CCCC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371226121 465655388 /nfs/dbraw/zinc/65/53/88/465655388.db2.gz AOTDPARFHXFWCF-ZWKOTPCHSA-N 1 3 349.519 2.012 10 0 EEAEHO CN1CC[C@H]([NH2+]C[C@H](O)COc2ccc(F)c(F)c2)[C@H]2CCC[C@H]21 ZINC000353500580 465935879 /nfs/dbraw/zinc/93/58/79/465935879.db2.gz FZFXWHKECRZKHK-BAGBSZHRSA-N 1 3 340.414 2.167 10 0 EEAEHO C[N@@H+]1CC[C@H](NC[C@H](O)COc2ccc(F)c(F)c2)[C@H]2CCC[C@H]21 ZINC000353500580 465935886 /nfs/dbraw/zinc/93/58/86/465935886.db2.gz FZFXWHKECRZKHK-BAGBSZHRSA-N 1 3 340.414 2.167 10 0 EEAEHO C[N@H+]1CC[C@H](NC[C@H](O)COc2ccc(F)c(F)c2)[C@H]2CCC[C@H]21 ZINC000353500580 465935892 /nfs/dbraw/zinc/93/58/92/465935892.db2.gz FZFXWHKECRZKHK-BAGBSZHRSA-N 1 3 340.414 2.167 10 0 EEAEHO CN(C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000349788118 466240156 /nfs/dbraw/zinc/24/01/56/466240156.db2.gz WPXAMYVNOMLZBU-ZWKOTPCHSA-N 1 3 330.476 2.167 10 0 EEAEHO CN(C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000349788118 466240161 /nfs/dbraw/zinc/24/01/61/466240161.db2.gz WPXAMYVNOMLZBU-ZWKOTPCHSA-N 1 3 330.476 2.167 10 0 EEAEHO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCN2CCC1CC2 ZINC000367416141 466322996 /nfs/dbraw/zinc/32/29/96/466322996.db2.gz SUCGFHNXQJPHMK-IBGZPJMESA-N 1 3 342.487 2.141 10 0 EEAEHO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCN2CCC1CC2 ZINC000367416141 466323001 /nfs/dbraw/zinc/32/30/01/466323001.db2.gz SUCGFHNXQJPHMK-IBGZPJMESA-N 1 3 342.487 2.141 10 0 EEAEHO O=C(NCCCCC[NH+]1CCCCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000363291526 466328015 /nfs/dbraw/zinc/32/80/15/466328015.db2.gz CMXBHOLPVKYKPD-GOSISDBHSA-N 1 3 334.508 2.298 10 0 EEAEHO CC1CCN(CCNC(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000354228160 466399422 /nfs/dbraw/zinc/39/94/22/466399422.db2.gz PRSDZCXQAOZEDB-UHFFFAOYSA-N 1 3 329.488 2.283 10 0 EEAEHO CC1CCN(CCNC(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000354228160 466399428 /nfs/dbraw/zinc/39/94/28/466399428.db2.gz PRSDZCXQAOZEDB-UHFFFAOYSA-N 1 3 329.488 2.283 10 0 EEAEHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)C1=CCN(C)CC1)CC2 ZINC000358093140 466449296 /nfs/dbraw/zinc/44/92/96/466449296.db2.gz AESXEZQAGBDNHE-NXHRZFHOSA-N 1 3 334.508 2.294 10 0 EEAEHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)C1=CCN(C)CC1)CC2 ZINC000358093140 466449304 /nfs/dbraw/zinc/44/93/04/466449304.db2.gz AESXEZQAGBDNHE-NXHRZFHOSA-N 1 3 334.508 2.294 10 0 EEAEHO C(N[C@H](C1CC1)[C@@H]1CNCCO1)[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422901360 466686857 /nfs/dbraw/zinc/68/68/57/466686857.db2.gz BVFWRZDJRKUFKF-HSALFYBXSA-N 1 3 335.536 2.388 10 0 EEAEHO C(N[C@H](C1CC1)[C@@H]1CNCCO1)[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422901360 466686859 /nfs/dbraw/zinc/68/68/59/466686859.db2.gz BVFWRZDJRKUFKF-HSALFYBXSA-N 1 3 335.536 2.388 10 0 EEAEHO C([NH2+][C@H](C1CC1)[C@@H]1CNCCO1)[C@H]1CCCN1CC1CCCCC1 ZINC000422901360 466686863 /nfs/dbraw/zinc/68/68/63/466686863.db2.gz BVFWRZDJRKUFKF-HSALFYBXSA-N 1 3 335.536 2.388 10 0 EEAEHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)cc1 ZINC000423390322 466736818 /nfs/dbraw/zinc/73/68/18/466736818.db2.gz KAHSZHOIHBWUMJ-HEHGZKQESA-N 1 3 325.478 2.097 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417201544 466799900 /nfs/dbraw/zinc/79/99/00/466799900.db2.gz WMZGKGKVBBEKTA-TUVJXNFZSA-N 1 3 344.503 2.084 10 0 EEAEHO C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@@H](N)c3ccccc3)C2)CC1 ZINC000418432151 467110301 /nfs/dbraw/zinc/11/03/01/467110301.db2.gz SJRPJLUWGCOFQN-ZWKOTPCHSA-N 1 3 330.476 2.060 10 0 EEAEHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000418555769 467128136 /nfs/dbraw/zinc/12/81/36/467128136.db2.gz DUIWSUUGWOGYSM-LPHOPBHVSA-N 1 3 344.503 2.290 10 0 EEAEHO COc1cc(OCCN(C)C)ccc1NC(=O)CC1CC[NH+](C)CC1 ZINC000413943066 467346803 /nfs/dbraw/zinc/34/68/03/467346803.db2.gz XOORFCGSYKXAJT-UHFFFAOYSA-N 1 3 349.475 2.306 10 0 EEAEHO COc1cc(OCC[NH+](C)C)ccc1NC(=O)CC1CCN(C)CC1 ZINC000413943066 467346805 /nfs/dbraw/zinc/34/68/05/467346805.db2.gz XOORFCGSYKXAJT-UHFFFAOYSA-N 1 3 349.475 2.306 10 0 EEAEHO CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000380143085 467371427 /nfs/dbraw/zinc/37/14/27/467371427.db2.gz GUQSFMHJJBLULL-IEBWSBKVSA-N 1 3 329.488 2.499 10 0 EEAEHO CN(C(=O)CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000380143092 467371459 /nfs/dbraw/zinc/37/14/59/467371459.db2.gz GUQSFMHJJBLULL-PKOBYXMFSA-N 1 3 329.488 2.499 10 0 EEAEHO CCN1CC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000414303510 467400578 /nfs/dbraw/zinc/40/05/78/467400578.db2.gz LMUUHWBUWVNDFS-QUCCMNQESA-N 1 3 345.531 2.333 10 0 EEAEHO CCCN1CCN(c2ccccc2CN[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414942472 467454949 /nfs/dbraw/zinc/45/49/49/467454949.db2.gz DNTFGFKZSJWKQT-PKOBYXMFSA-N 1 3 330.520 2.449 10 0 EEAEHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453131871 467461480 /nfs/dbraw/zinc/46/14/80/467461480.db2.gz ULBOAFSXFXHREP-OAHLLOKOSA-N 1 3 328.460 2.194 10 0 EEAEHO O=C(NCc1ccccc1CN1CCCCC1)N[C@@H]1CCC[NH2+]C1 ZINC000517097603 468071899 /nfs/dbraw/zinc/07/18/99/468071899.db2.gz CDPMIHXCTFBJHS-GOSISDBHSA-N 1 3 330.476 2.224 10 0 EEAEHO C[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)N(C)Cc1ccccc1 ZINC000562800619 469076904 /nfs/dbraw/zinc/07/69/04/469076904.db2.gz KMXSOFZIGJHBEP-XLIONFOSSA-N 1 3 344.503 2.292 10 0 EEAEHO C[NH2+]CCOCCN[C@@H]1CCCOc2ccc(Br)cc21 ZINC000629529180 469573003 /nfs/dbraw/zinc/57/30/03/469573003.db2.gz UPOQCOILRCSAEJ-CQSZACIVSA-N 1 3 343.265 2.488 10 0 EEAEHO C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000617016343 469573677 /nfs/dbraw/zinc/57/36/77/469573677.db2.gz HENWPDARJGLRRT-HNNXBMFYSA-N 1 3 333.476 2.230 10 0 EEAEHO O[C@H](C[NH2+]CCc1coc(-c2ccc(F)cc2)n1)CN1CCCC1 ZINC000629560422 469578905 /nfs/dbraw/zinc/57/89/05/469578905.db2.gz YAGWGZWVRMQIHW-QGZVFWFLSA-N 1 3 333.407 2.070 10 0 EEAEHO C[C@@H]1CC[C@H](NCc2ccccc2N(C)C2CCN(C)CC2)C[NH2+]1 ZINC000629660590 469601086 /nfs/dbraw/zinc/60/10/86/469601086.db2.gz WFMCSBBQPTXOHC-AEFFLSMTSA-N 1 3 330.520 2.447 10 0 EEAEHO CN(Cc1ccccc1)C[C@H](O)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000606540587 469618062 /nfs/dbraw/zinc/61/80/62/469618062.db2.gz VSOFRMKDSRVBOO-NRFANRHFSA-N 1 3 345.531 2.430 10 0 EEAEHO CN(Cc1ccccc1)C[C@H](O)CN1CCC[N@H+](C2CCCC2)CC1 ZINC000606540587 469618068 /nfs/dbraw/zinc/61/80/68/469618068.db2.gz VSOFRMKDSRVBOO-NRFANRHFSA-N 1 3 345.531 2.430 10 0 EEAEHO CN1CCN(C[C@@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc2)CC1 ZINC000623398676 469642831 /nfs/dbraw/zinc/64/28/31/469642831.db2.gz MHWCMHAIPWCLRY-VQTJNVASSA-N 1 3 344.547 2.438 10 0 EEAEHO CN1CCN(C[C@@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)c2ccccc2)CC1 ZINC000623398676 469642837 /nfs/dbraw/zinc/64/28/37/469642837.db2.gz MHWCMHAIPWCLRY-VQTJNVASSA-N 1 3 344.547 2.438 10 0 EEAEHO C[N@@H+]1CC[C@@H](N[C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1(C)C ZINC000623515821 469680575 /nfs/dbraw/zinc/68/05/75/469680575.db2.gz RNSBUJKIYFGPAG-IAGOWNOFSA-N 1 3 345.487 2.129 10 0 EEAEHO C[N@H+]1CC[C@@H](N[C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1(C)C ZINC000623515821 469680580 /nfs/dbraw/zinc/68/05/80/469680580.db2.gz RNSBUJKIYFGPAG-IAGOWNOFSA-N 1 3 345.487 2.129 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Br)co1 ZINC000617502478 469698920 /nfs/dbraw/zinc/69/89/20/469698920.db2.gz QQIFVHUPAJGOMC-NSHDSACASA-N 1 3 346.269 2.044 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Br)co1 ZINC000617502478 469698923 /nfs/dbraw/zinc/69/89/23/469698923.db2.gz QQIFVHUPAJGOMC-NSHDSACASA-N 1 3 346.269 2.044 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(C(C)(C)C)cn1 ZINC000617502564 469699336 /nfs/dbraw/zinc/69/93/36/469699336.db2.gz UQEPKCWPEPTPNG-HNNXBMFYSA-N 1 3 334.508 2.381 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(C(C)(C)C)cn1 ZINC000617502564 469699338 /nfs/dbraw/zinc/69/93/38/469699338.db2.gz UQEPKCWPEPTPNG-HNNXBMFYSA-N 1 3 334.508 2.381 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCn1ccc2ccccc21 ZINC000617503697 469701105 /nfs/dbraw/zinc/70/11/05/469701105.db2.gz VDTMVNSCMUUQLU-KRWDZBQOSA-N 1 3 344.503 2.420 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCn1ccc2ccccc21 ZINC000617503697 469701107 /nfs/dbraw/zinc/70/11/07/469701107.db2.gz VDTMVNSCMUUQLU-KRWDZBQOSA-N 1 3 344.503 2.420 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCc2ccccc21 ZINC000617504474 469702499 /nfs/dbraw/zinc/70/24/99/469702499.db2.gz XMDBSICNYUHQGC-QFBILLFUSA-N 1 3 331.504 2.495 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCc2ccccc21 ZINC000617504474 469702503 /nfs/dbraw/zinc/70/25/03/469702503.db2.gz XMDBSICNYUHQGC-QFBILLFUSA-N 1 3 331.504 2.495 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccn(C2CCCC2)n1 ZINC000617506135 469706175 /nfs/dbraw/zinc/70/61/75/469706175.db2.gz AZBOFTUAGYMZLH-HNNXBMFYSA-N 1 3 335.496 2.000 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccn(C2CCCC2)n1 ZINC000617506135 469706180 /nfs/dbraw/zinc/70/61/80/469706180.db2.gz AZBOFTUAGYMZLH-HNNXBMFYSA-N 1 3 335.496 2.000 10 0 EEAEHO CC[C@H](CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)N1CCc2ccccc2C1 ZINC000626934655 469760769 /nfs/dbraw/zinc/76/07/69/469760769.db2.gz KSHDOUKBDPIYDX-KFKAGJAMSA-N 1 3 344.503 2.263 10 0 EEAEHO CC[C@H](C)N[C@@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccco1 ZINC000627034833 469797486 /nfs/dbraw/zinc/79/74/86/469797486.db2.gz MMEBUWYKMOBZFS-STEAMIEHSA-N 1 3 348.491 2.350 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C[NH2+]1 ZINC000627199679 469841617 /nfs/dbraw/zinc/84/16/17/469841617.db2.gz AXWASLUJORUYOU-LMMKCTJWSA-N 1 3 344.503 2.433 10 0 EEAEHO C[C@](O)(C[C@H](O)CNCc1cccc(C[NH+]2CCCC2)c1)C1CC1 ZINC000634700401 470281157 /nfs/dbraw/zinc/28/11/57/470281157.db2.gz ZKMNJVVZTKEGCK-PMACEKPBSA-N 1 3 332.488 2.284 10 0 EEAEHO C[C@H]1OCC[C@H]1N(CCO)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648813448 470355706 /nfs/dbraw/zinc/35/57/06/470355706.db2.gz BEYXLVSAHPLECP-YLJYHZDGSA-N 1 3 348.487 2.133 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)COC1(C)CNC1 ZINC000649288577 470529706 /nfs/dbraw/zinc/52/97/06/470529706.db2.gz ZJQQRSIRQPKQSG-MRXNPFEDSA-N 1 3 345.487 2.056 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)COC1(C)CNC1 ZINC000649288577 470529711 /nfs/dbraw/zinc/52/97/11/470529711.db2.gz ZJQQRSIRQPKQSG-MRXNPFEDSA-N 1 3 345.487 2.056 10 0 EEAEHO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000646190305 470559217 /nfs/dbraw/zinc/55/92/17/470559217.db2.gz LSTBUGKPECCUJA-AEFFLSMTSA-N 1 3 330.476 2.129 10 0 EEAEHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2Cc2ccccc2F)C1 ZINC000650715341 470949070 /nfs/dbraw/zinc/94/90/70/470949070.db2.gz YSROKJRXYKLGFR-AEFFLSMTSA-N 1 3 347.478 2.420 10 0 EEAEHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2Cc2ccccc2F)C1 ZINC000650715341 470949071 /nfs/dbraw/zinc/94/90/71/470949071.db2.gz YSROKJRXYKLGFR-AEFFLSMTSA-N 1 3 347.478 2.420 10 0 EEAEHO COc1cc(C)nc(CNCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657536231 471164226 /nfs/dbraw/zinc/16/42/26/471164226.db2.gz YPWQYPBHXPDSSY-UHFFFAOYSA-N 1 3 333.476 2.379 10 0 EEAEHO CN(C(=O)N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000641027082 471167244 /nfs/dbraw/zinc/16/72/44/471167244.db2.gz ULIATMLEPZRAPQ-QZTJIDSGSA-N 1 3 330.476 2.044 10 0 EEAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cn2cc(Cl)ccc2n1 ZINC000657573329 471172288 /nfs/dbraw/zinc/17/22/88/471172288.db2.gz JMXCZRZEOHRMHC-AWEZNQCLSA-N 1 3 337.899 2.349 10 0 EEAEHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCSCC1 ZINC000657954523 471251861 /nfs/dbraw/zinc/25/18/61/471251861.db2.gz TZDKVHBVEKNLRF-MSOLQXFVSA-N 1 3 349.544 2.151 10 0 EEAEHO C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000652285150 471266906 /nfs/dbraw/zinc/26/69/06/471266906.db2.gz NTIYSGYTDDKOSF-SFHVURJKSA-N 1 3 330.476 2.176 10 0 EEAEHO CCN(C(=O)NCCC[N@H+](C)Cc1ccccc1)[C@H]1CCN(C)C1 ZINC000663507043 471404735 /nfs/dbraw/zinc/40/47/35/471404735.db2.gz RQICDFKIKBXQHE-SFHVURJKSA-N 1 3 332.492 2.244 10 0 EEAEHO CCN(C(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@H]1CCN(C)C1 ZINC000663507043 471404740 /nfs/dbraw/zinc/40/47/40/471404740.db2.gz RQICDFKIKBXQHE-SFHVURJKSA-N 1 3 332.492 2.244 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC[N@@H+]1C ZINC000659037306 471479441 /nfs/dbraw/zinc/47/94/41/471479441.db2.gz WNDCWBVWOBYAJX-ZTFGCOKTSA-N 1 3 346.475 2.294 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC[N@H+]1C ZINC000659037306 471479445 /nfs/dbraw/zinc/47/94/45/471479445.db2.gz WNDCWBVWOBYAJX-ZTFGCOKTSA-N 1 3 346.475 2.294 10 0 EEAEHO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659040689 471483824 /nfs/dbraw/zinc/48/38/24/471483824.db2.gz FXIGZFALJPBRBY-QAPCUYQASA-N 1 3 346.475 2.201 10 0 EEAEHO C[N@H+]1CCC[C@H](CCNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659040689 471483826 /nfs/dbraw/zinc/48/38/26/471483826.db2.gz FXIGZFALJPBRBY-QAPCUYQASA-N 1 3 346.475 2.201 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000663813659 471530890 /nfs/dbraw/zinc/53/08/90/471530890.db2.gz WNIDCZKJSBHPQY-SZMVWBNQSA-N 1 3 332.492 2.114 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000663813659 471530896 /nfs/dbraw/zinc/53/08/96/471530896.db2.gz WNIDCZKJSBHPQY-SZMVWBNQSA-N 1 3 332.492 2.114 10 0 EEAEHO Cc1cnc(OC2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)nc1 ZINC000655948017 471552998 /nfs/dbraw/zinc/55/29/98/471552998.db2.gz WDIKOXVSSYJRCK-UHFFFAOYSA-N 1 3 338.455 2.474 10 0 EEAEHO [NH3+]CC12CC(C1)CN2C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000659427729 471621526 /nfs/dbraw/zinc/62/15/26/471621526.db2.gz SDTIMWJESCMKBL-XOYHFGRZSA-N 1 3 334.489 2.018 10 0 EEAEHO CN(C[C@@H]1CCCN(C)C1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659580887 471686126 /nfs/dbraw/zinc/68/61/26/471686126.db2.gz WCEDLKDNVHKHRD-BHIYHBOVSA-N 1 3 344.503 2.115 10 0 EEAEHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000661406201 471747925 /nfs/dbraw/zinc/74/79/25/471747925.db2.gz IXRQVMOTQLBMQE-DLBZAZTESA-N 1 3 336.524 2.280 10 0 EEAEHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000661406201 471747931 /nfs/dbraw/zinc/74/79/31/471747931.db2.gz IXRQVMOTQLBMQE-DLBZAZTESA-N 1 3 336.524 2.280 10 0 EEAEHO c1cc2c(c([C@@H]3CCCN3C[C@H]3CCC4(C[NH2+]C4)O3)c1)OCCO2 ZINC000662255299 472044430 /nfs/dbraw/zinc/04/44/30/472044430.db2.gz BUHMUGNHYKCYEV-ZBFHGGJFSA-N 1 3 330.428 2.116 10 0 EEAEHO CCN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCN(C)C1 ZINC000665601739 472106696 /nfs/dbraw/zinc/10/66/96/472106696.db2.gz DIEGTQAAKIAQGB-MRXNPFEDSA-N 1 3 334.464 2.185 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000665764885 472178350 /nfs/dbraw/zinc/17/83/50/472178350.db2.gz SMJNIMBNUVNSJG-FUHWJXTLSA-N 1 3 338.540 2.480 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000665764885 472178359 /nfs/dbraw/zinc/17/83/59/472178359.db2.gz SMJNIMBNUVNSJG-FUHWJXTLSA-N 1 3 338.540 2.480 10 0 EEAEHO NC[C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000663002778 472323576 /nfs/dbraw/zinc/32/35/76/472323576.db2.gz IXMWZCSBNIOEAE-QAPCUYQASA-N 1 3 333.451 2.106 10 0 EEAEHO NC[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000663002778 472323581 /nfs/dbraw/zinc/32/35/81/472323581.db2.gz IXMWZCSBNIOEAE-QAPCUYQASA-N 1 3 333.451 2.106 10 0 EEAEHO Cc1nc(-c2cccnc2)nc(NCC[N@@H+](C)CCCN(C)C)c1C ZINC000664247592 485601516 /nfs/dbraw/zinc/60/15/16/485601516.db2.gz CMFZZIXASOTQTM-UHFFFAOYSA-N 1 3 342.491 2.451 10 0 EEAEHO Cc1nc(-c2cccnc2)nc(NCC[N@H+](C)CCCN(C)C)c1C ZINC000664247592 485601520 /nfs/dbraw/zinc/60/15/20/485601520.db2.gz CMFZZIXASOTQTM-UHFFFAOYSA-N 1 3 342.491 2.451 10 0 EEAEHO CN(Cc1ccccc1)C[C@H](O)CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000680076243 485882520 /nfs/dbraw/zinc/88/25/20/485882520.db2.gz IHDNURPEDUOAPS-IBGZPJMESA-N 1 3 331.504 2.040 10 0 EEAEHO CN(Cc1ccccc1)C[C@H](O)CN1CCC2(CCC[N@H+]2C)CC1 ZINC000680076243 485882526 /nfs/dbraw/zinc/88/25/26/485882526.db2.gz IHDNURPEDUOAPS-IBGZPJMESA-N 1 3 331.504 2.040 10 0 EEAEHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCC([C@@H]2CCOC2)CC1 ZINC000680088187 485885558 /nfs/dbraw/zinc/88/55/58/485885558.db2.gz CMQUAXFHPZCMJV-WOJBJXKFSA-N 1 3 332.488 2.228 10 0 EEAEHO C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCC([C@@H]2CCOC2)CC1 ZINC000680088187 485885565 /nfs/dbraw/zinc/88/55/65/485885565.db2.gz CMQUAXFHPZCMJV-WOJBJXKFSA-N 1 3 332.488 2.228 10 0 EEAEHO CC[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000415938760 528352437 /nfs/dbraw/zinc/35/24/37/528352437.db2.gz AZNSHKQQEXYISC-QGZVFWFLSA-N 1 3 348.491 2.371 10 0 EEAEHO CCN1CCC[C@@H]1CNC(=S)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000730736509 577052826 /nfs/dbraw/zinc/05/28/26/577052826.db2.gz UQHSPFKZDUKFPX-IAGOWNOFSA-N 1 3 338.565 2.296 10 0 EEAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@H]3CCOC34CCOCC4)C2)cc1 ZINC000924938359 681737416 /nfs/dbraw/zinc/73/74/16/681737416.db2.gz KVLDXDZGGSADMO-UXHICEINSA-N 1 3 344.499 2.479 10 0 EEAEHO COCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001267567842 1179382494 /nfs/dbraw/zinc/38/24/94/1179382494.db2.gz QONOWFPYQHSECW-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001267567842 1179382502 /nfs/dbraw/zinc/38/25/02/1179382502.db2.gz QONOWFPYQHSECW-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[N@H+](CCNC(=O)CN(C)C(C)C)Cc1ccc2cc[nH]c2c1 ZINC001481018594 1179506039 /nfs/dbraw/zinc/50/60/39/1179506039.db2.gz CWMPIGFBLNSSMP-UHFFFAOYSA-N 1 3 330.476 2.446 10 0 EEAEHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)Cc1ccc2cc[nH]c2c1 ZINC001481018594 1179506042 /nfs/dbraw/zinc/50/60/42/1179506042.db2.gz CWMPIGFBLNSSMP-UHFFFAOYSA-N 1 3 330.476 2.446 10 0 EEAEHO CC(C)OCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001481111248 1179762494 /nfs/dbraw/zinc/76/24/94/1179762494.db2.gz BQIPNELYGMFEEQ-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)OCC[N@H+]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001481111248 1179762501 /nfs/dbraw/zinc/76/25/01/1179762501.db2.gz BQIPNELYGMFEEQ-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)OCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001267933392 1180785589 /nfs/dbraw/zinc/78/55/89/1180785589.db2.gz HRAOVHCRUPKRQW-ULQDDVLXSA-N 1 3 327.513 2.015 10 0 EEAEHO Cc1csc(CN[C@H](C)C2CCN(C(=O)CC[NH+](C)C)CC2)n1 ZINC001481343494 1181076956 /nfs/dbraw/zinc/07/69/56/1181076956.db2.gz ULOULCYUUNWFOH-CQSZACIVSA-N 1 3 338.521 2.120 10 0 EEAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@](C)(CNCc1ccccn1)C1CC1 ZINC001481933150 1182980811 /nfs/dbraw/zinc/98/08/11/1182980811.db2.gz XTHJPZJZLHNNHN-QUCCMNQESA-N 1 3 344.503 2.331 10 0 EEAEHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@](C)(CNCc1ccccn1)C1CC1 ZINC001481933150 1182980816 /nfs/dbraw/zinc/98/08/16/1182980816.db2.gz XTHJPZJZLHNNHN-QUCCMNQESA-N 1 3 344.503 2.331 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001482164582 1183489552 /nfs/dbraw/zinc/48/95/52/1183489552.db2.gz WEOLMWBHHWSADZ-GXTWGEPZSA-N 1 3 342.434 2.428 10 0 EEAEHO CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2cccnc2)CC1)N(C)C ZINC001269877058 1184687257 /nfs/dbraw/zinc/68/72/57/1184687257.db2.gz AQCUJYATJIXUCL-GOSISDBHSA-N 1 3 332.492 2.140 10 0 EEAEHO CCCN(C)CC(=O)N1CCC(CC[NH2+]Cc2ocnc2C)CC1 ZINC001269934761 1184727496 /nfs/dbraw/zinc/72/74/96/1184727496.db2.gz BAGGRYLVFQSDLG-UHFFFAOYSA-N 1 3 336.480 2.043 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+]Cc2ccccn2)CC1 ZINC001269952452 1184740154 /nfs/dbraw/zinc/74/01/54/1184740154.db2.gz XPSXDAFWIUNBLE-UHFFFAOYSA-N 1 3 332.492 2.140 10 0 EEAEHO Cc1ccccc1CCC[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001271122868 1185920471 /nfs/dbraw/zinc/92/04/71/1185920471.db2.gz YZLHHKFFJUGCSH-MRXNPFEDSA-N 1 3 328.460 2.330 10 0 EEAEHO CC(C)OCC[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001271674356 1186366595 /nfs/dbraw/zinc/36/65/95/1186366595.db2.gz XJQOGNVLLDFAGG-SJORKVTESA-N 1 3 341.540 2.073 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCc1ccccc1 ZINC001483099273 1188475726 /nfs/dbraw/zinc/47/57/26/1188475726.db2.gz WYJIAEVJQVXDDY-UCFODXPJSA-N 1 3 329.488 2.366 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccc(OC)cc1 ZINC001483197301 1189081780 /nfs/dbraw/zinc/08/17/80/1189081780.db2.gz DYSQKRANNSVOAL-VQIMIIECSA-N 1 3 347.503 2.206 10 0 EEAEHO COc1ccc(CN(C)[C@@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC001409661087 1190158725 /nfs/dbraw/zinc/15/87/25/1190158725.db2.gz ZLPQVSNXVAXLRH-WMZOPIPTSA-N 1 3 347.503 2.282 10 0 EEAEHO COc1ccc(CN(C)[C@@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001409661087 1190158729 /nfs/dbraw/zinc/15/87/29/1190158729.db2.gz ZLPQVSNXVAXLRH-WMZOPIPTSA-N 1 3 347.503 2.282 10 0 EEAEHO Cc1ccncc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001483272120 1190296605 /nfs/dbraw/zinc/29/66/05/1190296605.db2.gz KROHIGFAWAQGEU-WMZOPIPTSA-N 1 3 332.492 2.247 10 0 EEAEHO Cc1cccc(CCC[NH2+][C@@H]2C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001486124508 1193688700 /nfs/dbraw/zinc/68/87/00/1193688700.db2.gz QNYRITSSXBVDLE-QFBILLFUSA-N 1 3 340.471 2.472 10 0 EEAEHO C[NH+](C)CCCCC(=O)NC[C@@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001483694283 1190769179 /nfs/dbraw/zinc/76/91/79/1190769179.db2.gz VGWVNTHLZJFKFG-GJZGRUSLSA-N 1 3 331.451 2.344 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCC2([NH2+]Cc3ccc4cc[nH]c4c3)CC2)C1 ZINC001483767465 1191001113 /nfs/dbraw/zinc/00/11/13/1191001113.db2.gz KUBUAYOVDNYFDF-HNNXBMFYSA-N 1 3 340.471 2.248 10 0 EEAEHO Cc1ncc(CN[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C2)o1 ZINC001483915884 1191115225 /nfs/dbraw/zinc/11/52/25/1191115225.db2.gz JFANFSFOTTXFBZ-GDBMZVCRSA-N 1 3 336.480 2.184 10 0 EEAEHO Cc1ccccc1OCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001483924526 1191118537 /nfs/dbraw/zinc/11/85/37/1191118537.db2.gz JFVXJRSPHRRRQV-QZTJIDSGSA-N 1 3 345.487 2.049 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1conc1C)C2 ZINC001484321579 1191303761 /nfs/dbraw/zinc/30/37/61/1191303761.db2.gz NTOKNYWTJKHRTN-SZMVWBNQSA-N 1 3 348.491 2.184 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1conc1C)C2 ZINC001484321579 1191303762 /nfs/dbraw/zinc/30/37/62/1191303762.db2.gz NTOKNYWTJKHRTN-SZMVWBNQSA-N 1 3 348.491 2.184 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(F)cc2)C1 ZINC001484359612 1191315336 /nfs/dbraw/zinc/31/53/36/1191315336.db2.gz XDUVDVBIFKDULB-NVXWUHKLSA-N 1 3 335.467 2.493 10 0 EEAEHO CC(C)[N@@H+]1CCc2c(CNC(=O)CN3CC[C@H](C)C3)cccc2C1 ZINC001484612639 1191437860 /nfs/dbraw/zinc/43/78/60/1191437860.db2.gz KATOKDGQQDDWSX-INIZCTEOSA-N 1 3 329.488 2.411 10 0 EEAEHO CC(C)[N@H+]1CCc2c(CNC(=O)CN3CC[C@H](C)C3)cccc2C1 ZINC001484612639 1191437862 /nfs/dbraw/zinc/43/78/62/1191437862.db2.gz KATOKDGQQDDWSX-INIZCTEOSA-N 1 3 329.488 2.411 10 0 EEAEHO CC[C@@H](F)CNC1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCC1 ZINC001484640635 1191450271 /nfs/dbraw/zinc/45/02/71/1191450271.db2.gz DVJLEKQMZKHAFI-HZPDHXFCSA-N 1 3 327.488 2.483 10 0 EEAEHO CC[C@@H](F)CNC1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CCC1 ZINC001484640635 1191450273 /nfs/dbraw/zinc/45/02/73/1191450273.db2.gz DVJLEKQMZKHAFI-HZPDHXFCSA-N 1 3 327.488 2.483 10 0 EEAEHO CC[C@H](C(=O)NC1(C[NH2+]CCC(C)(C)C)CCOCC1)N(C)C ZINC001484864309 1191555265 /nfs/dbraw/zinc/55/52/65/1191555265.db2.gz FCTPNNXMXWOCQX-OAHLLOKOSA-N 1 3 327.513 2.018 10 0 EEAEHO COc1ccc(CC[NH2+][C@H](C)[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001485155832 1191668390 /nfs/dbraw/zinc/66/83/90/1191668390.db2.gz LGWLDRSRFSTJGM-HZPDHXFCSA-N 1 3 347.503 2.205 10 0 EEAEHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC001485214570 1191696343 /nfs/dbraw/zinc/69/63/43/1191696343.db2.gz GSYXJMRROPRHDJ-JKSUJKDBSA-N 1 3 347.503 2.084 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)C2CCC([NH2+]C/C=C/Cl)CC2)C1 ZINC001485241408 1191706291 /nfs/dbraw/zinc/70/62/91/1191706291.db2.gz FRHSJZJNZATZMA-OWKKTOMHSA-N 1 3 327.900 2.440 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC2(C[NH2+]Cc3cccnc3)CCCCC2)C1 ZINC001485455852 1191792009 /nfs/dbraw/zinc/79/20/09/1191792009.db2.gz YBRVMEKELWOETB-KRWDZBQOSA-N 1 3 344.503 2.332 10 0 EEAEHO CCOCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H]1C ZINC001486182144 1193719125 /nfs/dbraw/zinc/71/91/25/1193719125.db2.gz XLLHLSXQBADBFQ-DLBZAZTESA-N 1 3 339.524 2.257 10 0 EEAEHO CCOCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H]1C ZINC001486182144 1193719126 /nfs/dbraw/zinc/71/91/26/1193719126.db2.gz XLLHLSXQBADBFQ-DLBZAZTESA-N 1 3 339.524 2.257 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCc2ncccc2C)C(C)(C)C1 ZINC001486246723 1193773377 /nfs/dbraw/zinc/77/33/77/1193773377.db2.gz QJSYLMQGRHVMDX-SFHVURJKSA-N 1 3 346.519 2.449 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCc2ncccc2C)C(C)(C)C1 ZINC001486246723 1193773381 /nfs/dbraw/zinc/77/33/81/1193773381.db2.gz QJSYLMQGRHVMDX-SFHVURJKSA-N 1 3 346.519 2.449 10 0 EEAEHO C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNCCF)[NH+]1CCCCCC1 ZINC001691844138 1194299874 /nfs/dbraw/zinc/29/98/74/1194299874.db2.gz ANVPKYADXVQGIC-IKGGRYGDSA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1nc(C)c(CN[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001410384907 1197784013 /nfs/dbraw/zinc/78/40/13/1197784013.db2.gz QREHZBVXGZCZDP-NJZAAPMLSA-N 1 3 338.521 2.037 10 0 EEAEHO Cc1nc(C)c(CN[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001410384907 1197784016 /nfs/dbraw/zinc/78/40/16/1197784016.db2.gz QREHZBVXGZCZDP-NJZAAPMLSA-N 1 3 338.521 2.037 10 0 EEAEHO Cc1cncc(CN[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC2(C)C)c1 ZINC001410976091 1198654484 /nfs/dbraw/zinc/65/44/84/1198654484.db2.gz GONOOUSUKFTJPQ-KRWDZBQOSA-N 1 3 344.503 2.058 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC/C=C/C[NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001274367667 1205011467 /nfs/dbraw/zinc/01/14/67/1205011467.db2.gz DNMSINXQGUASBT-VNHAASDWSA-N 1 3 343.462 2.416 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCO[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001280681996 1205048681 /nfs/dbraw/zinc/04/86/81/1205048681.db2.gz MCRNGKPMJOZZJF-GOSISDBHSA-N 1 3 339.524 2.114 10 0 EEAEHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000925158897 1206077818 /nfs/dbraw/zinc/07/78/18/1206077818.db2.gz SXONRGQCXISHBY-RTHVDDQRSA-N 1 3 328.435 2.484 10 0 EEAEHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000925158897 1206077819 /nfs/dbraw/zinc/07/78/19/1206077819.db2.gz SXONRGQCXISHBY-RTHVDDQRSA-N 1 3 328.435 2.484 10 0 EEAEHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000925158897 1206077822 /nfs/dbraw/zinc/07/78/22/1206077822.db2.gz SXONRGQCXISHBY-RTHVDDQRSA-N 1 3 328.435 2.484 10 0 EEAEHO CN1CCN(C[C@H](N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)c2ccccc2)CC1 ZINC000925474575 1206116584 /nfs/dbraw/zinc/11/65/84/1206116584.db2.gz CRGPFGBKTNSDSK-UFYCRDLUSA-N 1 3 344.547 2.471 10 0 EEAEHO CNC(=O)c1cccc(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC000925521187 1206122550 /nfs/dbraw/zinc/12/25/50/1206122550.db2.gz IYDKGQCWICWXPE-MOPGFXCFSA-N 1 3 329.488 2.347 10 0 EEAEHO CCOC(=O)c1oc2c(c1C)[C@H](NCCN1CCC([NH3+])CC1)CCC2 ZINC000925813423 1206156840 /nfs/dbraw/zinc/15/68/40/1206156840.db2.gz VLXCKSRWUWONMF-OAHLLOKOSA-N 1 3 349.475 2.155 10 0 EEAEHO COc1cc(C)ccc1[C@H](C)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851539 1206160942 /nfs/dbraw/zinc/16/09/42/1206160942.db2.gz FZFXXKAWEYXZCM-LSDHHAIUSA-N 1 3 332.444 2.340 10 0 EEAEHO C[C@@H]1CN(C[C@@H]2CCCC3(CCC3)O2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000930136948 1206537027 /nfs/dbraw/zinc/53/70/27/1206537027.db2.gz PUXPFAMKQOJGJD-CEXWTWQISA-N 1 3 335.536 2.436 10 0 EEAEHO Cc1c(C[C@@H](CN)C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)cnn1C ZINC000903892536 1242358925 /nfs/dbraw/zinc/35/89/25/1242358925.db2.gz JOMGSAYUELRTPK-PBHICJAKSA-N 1 3 330.476 2.115 10 0 EEAEHO Cc1c(C[C@@H](CN)C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)cnn1C ZINC000903892536 1242358936 /nfs/dbraw/zinc/35/89/36/1242358936.db2.gz JOMGSAYUELRTPK-PBHICJAKSA-N 1 3 330.476 2.115 10 0 EEAEHO CN(CCCNCc1cccc(F)c1Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001276379351 1243330529 /nfs/dbraw/zinc/33/05/29/1243330529.db2.gz BYGMWPWEFNIGGS-CQSZACIVSA-N 1 3 341.858 2.369 10 0 EEAEHO CN(CCCNCc1cccc(F)c1Cl)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001276379351 1243330539 /nfs/dbraw/zinc/33/05/39/1243330539.db2.gz BYGMWPWEFNIGGS-CQSZACIVSA-N 1 3 341.858 2.369 10 0 EEAEHO CN(CCC[NH2+]Cc1cccc2cccnc21)C(=O)CN1CCCC1 ZINC001276386549 1255490989 /nfs/dbraw/zinc/49/09/89/1255490989.db2.gz FACKOMYNTILCGK-UHFFFAOYSA-N 1 3 340.471 2.269 10 0 EEAEHO CC(C)=CCN(C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001267219333 1276642350 /nfs/dbraw/zinc/64/23/50/1276642350.db2.gz PAAWDIAEPIRQNF-MOPGFXCFSA-N 1 3 329.488 2.346 10 0 EEAEHO CC(C)=CCN(C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001267219333 1276642359 /nfs/dbraw/zinc/64/23/59/1276642359.db2.gz PAAWDIAEPIRQNF-MOPGFXCFSA-N 1 3 329.488 2.346 10 0 EEAEHO CCCCCCN(C)CC(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861984582 1295635654 /nfs/dbraw/zinc/63/56/54/1295635654.db2.gz IKPPFHWZHQUPLU-UHFFFAOYSA-N 1 3 339.524 2.212 10 0 EEAEHO CCCCCCN(C)CC(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000861984582 1295635664 /nfs/dbraw/zinc/63/56/64/1295635664.db2.gz IKPPFHWZHQUPLU-UHFFFAOYSA-N 1 3 339.524 2.212 10 0 EEAEHO CCO[C@@H](CN[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)C[NH+](C)C ZINC000926964492 1296972366 /nfs/dbraw/zinc/97/23/66/1296972366.db2.gz XJOVWDKVPPPOQF-GJZGRUSLSA-N 1 3 343.512 2.331 10 0 EEAEHO Cc1c(N)c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1F ZINC001142767750 1315729033 /nfs/dbraw/zinc/72/90/33/1315729033.db2.gz UXYWPGVOYGTPKB-UHFFFAOYSA-N 1 3 348.466 2.005 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001278556533 1317224512 /nfs/dbraw/zinc/22/45/12/1317224512.db2.gz RFLWLBHQLOZKJP-HXUWFJFHSA-N 1 3 340.471 2.332 10 0 EEAEHO CCCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C(F)(F)F ZINC001278705829 1317805216 /nfs/dbraw/zinc/80/52/16/1317805216.db2.gz ZOQHEYQKVSJPJS-KGLIPLIRSA-N 1 3 349.441 2.497 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@H]3[NH3+])cc2)CC1 ZINC001261502802 1322116917 /nfs/dbraw/zinc/11/69/17/1322116917.db2.gz YWLONNLDRIRDON-QZTJIDSGSA-N 1 3 330.476 2.285 10 0 EEAEHO COc1ccc(C)cc1C[N@H+](C)CCCNC(=O)C1(N(C)C)CCC1 ZINC001264994759 1322843074 /nfs/dbraw/zinc/84/30/74/1322843074.db2.gz HXTLPBVIDDHLNJ-UHFFFAOYSA-N 1 3 347.503 2.426 10 0 EEAEHO COc1ccc(C)cc1C[N@@H+](C)CCCNC(=O)C1(N(C)C)CCC1 ZINC001264994759 1322843080 /nfs/dbraw/zinc/84/30/80/1322843080.db2.gz HXTLPBVIDDHLNJ-UHFFFAOYSA-N 1 3 347.503 2.426 10 0 EEAEHO Cc1cccnc1CN(C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001265046611 1322887162 /nfs/dbraw/zinc/88/71/62/1322887162.db2.gz JWMSNXVNIHYYMG-IEBWSBKVSA-N 1 3 344.503 2.345 10 0 EEAEHO Cc1cccnc1CN(C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001265046611 1322887165 /nfs/dbraw/zinc/88/71/65/1322887165.db2.gz JWMSNXVNIHYYMG-IEBWSBKVSA-N 1 3 344.503 2.345 10 0 EEAEHO CN(C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CCOC2CCC2)CCC1 ZINC001265673280 1323312925 /nfs/dbraw/zinc/31/29/25/1323312925.db2.gz BMBUTQMQDLJLIX-INIZCTEOSA-N 1 3 337.508 2.011 10 0 EEAEHO CC[C@@H](F)CN(CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001266138773 1323709640 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2.495 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCCC(F)(F)F)C1 ZINC001491791048 1330257170 /nfs/dbraw/zinc/25/71/70/1330257170.db2.gz KAYVCIDVPCPBBZ-ZIAGYGMSSA-N 1 3 335.414 2.251 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)C[C@H](OC)C2CCC2)C1 ZINC001491958192 1330351397 /nfs/dbraw/zinc/35/13/97/1330351397.db2.gz ARQFXFCOJCKFJM-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)C[C@H](OC)C2CCC2)C1 ZINC001491958192 1330351408 /nfs/dbraw/zinc/35/14/08/1330351408.db2.gz ARQFXFCOJCKFJM-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@H](C(=O)N(C)CC[NH2+]CC[C@H]1CCc2ccccc21)N(C)C ZINC001317599334 1332318534 /nfs/dbraw/zinc/31/85/34/1332318534.db2.gz RQDFIRFNKXXNDY-IEBWSBKVSA-N 1 3 331.504 2.495 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N(C)CCNCc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC001317622720 1332332625 /nfs/dbraw/zinc/33/26/25/1332332625.db2.gz NGPJSYXWGLQPMX-ZFWWWQNUSA-N 1 3 339.430 2.243 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N(C)CCNCc2ccc(F)c(F)c2)CC[N@H+]1C ZINC001317622720 1332332627 /nfs/dbraw/zinc/33/26/27/1332332627.db2.gz NGPJSYXWGLQPMX-ZFWWWQNUSA-N 1 3 339.430 2.243 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]C[C@H](OC)c1ccccc1 ZINC001317663513 1332358006 /nfs/dbraw/zinc/35/80/06/1332358006.db2.gz GQLIAXORMRHMTQ-MOPGFXCFSA-N 1 3 347.503 2.297 10 0 EEAEHO CC(C)N(C)CC(=O)NC1(C[NH2+]CC[C@@H]2CCCCO2)CCCC1 ZINC001318671451 1332575356 /nfs/dbraw/zinc/57/53/56/1332575356.db2.gz RSVXSOJHGRIIBH-KRWDZBQOSA-N 1 3 339.524 2.304 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCC(F)(F)F ZINC001319869812 1332789226 /nfs/dbraw/zinc/78/92/26/1332789226.db2.gz QGFIHGLBKLZHOC-KGLIPLIRSA-N 1 3 337.430 2.496 10 0 EEAEHO CCN(CC[NH2+]CCc1ccccc1F)C(=O)CN1CC[C@@H](C)C1 ZINC001320839367 1332962801 /nfs/dbraw/zinc/96/28/01/1332962801.db2.gz AWEQYRKGTZEJEO-MRXNPFEDSA-N 1 3 335.467 2.148 10 0 EEAEHO CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001326352531 1334075112 /nfs/dbraw/zinc/07/51/12/1334075112.db2.gz NJXYEEHBJUNSJQ-UONOGXRCSA-N 1 3 337.430 2.353 10 0 EEAEHO C[C@H](F)CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001326542092 1334112780 /nfs/dbraw/zinc/11/27/80/1334112780.db2.gz QVEOBGUHZWHQBK-QAETUUGQSA-N 1 3 327.488 2.341 10 0 EEAEHO CCCCOCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001327528853 1334309099 /nfs/dbraw/zinc/30/90/99/1334309099.db2.gz CRITWEULWTYNEN-IBGZPJMESA-N 1 3 348.491 2.083 10 0 EEAEHO CCCCOCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001327528853 1334309101 /nfs/dbraw/zinc/30/91/01/1334309101.db2.gz CRITWEULWTYNEN-IBGZPJMESA-N 1 3 348.491 2.083 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@](CO)([NH2+]CCCC(C)(C)C)C1)N(C)C ZINC001327568627 1334316252 /nfs/dbraw/zinc/31/62/52/1334316252.db2.gz HQTCSJHEVNLHPP-APWZRJJASA-N 1 3 341.540 2.096 10 0 EEAEHO Cc1cccc(OCC[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)c1 ZINC001333155320 1335972439 /nfs/dbraw/zinc/97/24/39/1335972439.db2.gz ZTLNNJHQMHFDTJ-UHFFFAOYSA-N 1 3 345.487 2.049 10 0 EEAEHO CCN(CCNCc1cccnc1C)C(=O)CC[NH+]1CCCCC1 ZINC001668652006 1355980182 /nfs/dbraw/zinc/98/01/82/1355980182.db2.gz FCRVVYJPMHTMJJ-UHFFFAOYSA-N 1 3 332.492 2.204 10 0 EEAEHO C[C@H](C[NH2+]CC[C@H]1CCCC1(F)F)NC(=O)C1(N(C)C)CCC1 ZINC001669313546 1356144213 /nfs/dbraw/zinc/14/42/13/1356144213.db2.gz ZDXDLQUEZCURPH-ZIAGYGMSSA-N 1 3 331.451 2.391 10 0 EEAEHO COCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001500265189 1342122438 /nfs/dbraw/zinc/12/24/38/1342122438.db2.gz PTQWPIOYDVXOGK-HKUYNNGSSA-N 1 3 339.524 2.258 10 0 EEAEHO COCCCC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001500265189 1342122441 /nfs/dbraw/zinc/12/24/41/1342122441.db2.gz PTQWPIOYDVXOGK-HKUYNNGSSA-N 1 3 339.524 2.258 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCOc2ccccc2)CC1 ZINC001502772010 1342232525 /nfs/dbraw/zinc/23/25/25/1342232525.db2.gz FWQIYSJUJMPULB-SFHVURJKSA-N 1 3 345.487 2.130 10 0 EEAEHO CCN(CC[NH2+]CC[C@H](C)F)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001568775847 1342853580 /nfs/dbraw/zinc/85/35/80/1342853580.db2.gz NQTAUGNWJSWQDT-YOEHRIQHSA-N 1 3 333.467 2.385 10 0 EEAEHO C[C@H]1C[C@@H]([NH2+]CCCc2ccccc2)CN1C(=O)Cc1c[nH]cn1 ZINC001676762822 1357195776 /nfs/dbraw/zinc/19/57/76/1357195776.db2.gz OKSBRHAJWXRYAX-MAUKXSAKSA-N 1 3 326.444 2.164 10 0 EEAEHO COCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001676924852 1357242299 /nfs/dbraw/zinc/24/22/99/1357242299.db2.gz BQMBLPRFIVFAJE-DLBZAZTESA-N 1 3 339.524 2.162 10 0 EEAEHO O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H](NCc2ccns2)C1 ZINC001661694276 1354673104 /nfs/dbraw/zinc/67/31/04/1354673104.db2.gz JCJPXLRHGLFZRU-GASCZTMLSA-N 1 3 336.505 2.146 10 0 EEAEHO Cc1ccc(C)c(OCC[NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001662239134 1354767579 /nfs/dbraw/zinc/76/75/79/1354767579.db2.gz MNGMVAUSOHCUQC-QGZVFWFLSA-N 1 3 347.503 2.261 10 0 EEAEHO CCN(CC[NH2+]Cc1cccc(N(C)C)c1)C(=O)CN1CC[C@@H](C)C1 ZINC001668555044 1355961670 /nfs/dbraw/zinc/96/16/70/1355961670.db2.gz GUQXBGFNIFOSSY-QGZVFWFLSA-N 1 3 346.519 2.033 10 0 EEAEHO C[C@H](NC/C=C\CNC(=O)CC[NH+](C)C)c1ccc(F)c(F)c1 ZINC001669020897 1356069657 /nfs/dbraw/zinc/06/96/57/1356069657.db2.gz LGOAFLQUORHFIJ-ZFDPJTLLSA-N 1 3 325.403 2.240 10 0 EEAEHO CC(C)OCC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1 ZINC001692121490 1404984839 /nfs/dbraw/zinc/98/48/39/1404984839.db2.gz UBLXPFMTKWDHMK-QGZVFWFLSA-N 1 3 339.524 2.257 10 0 EEAEHO COCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001699012419 1405227081 /nfs/dbraw/zinc/22/70/81/1405227081.db2.gz DOTIHHLOIMWLAG-IRXDYDNUSA-N 1 3 339.524 2.162 10 0 EEAEHO O[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(F)cn1 ZINC000819015381 785383529 /nfs/dbraw/zinc/38/35/29/785383529.db2.gz GIWJKJUUGMTRBW-PXNSSMCTSA-N 1 3 343.446 2.408 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000909204215 786092380 /nfs/dbraw/zinc/09/23/80/786092380.db2.gz UGQGOQZKXFZYHY-KRWDZBQOSA-N 1 3 327.472 2.063 10 0 EEAEHO COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498808 789680793 /nfs/dbraw/zinc/68/07/93/789680793.db2.gz LSMRPKYRWXRERX-FXUDXRNXSA-N 1 3 333.476 2.178 10 0 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343.462 2.058 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH2+]CC2CC2)C1 ZINC001440423047 1093618982 /nfs/dbraw/zinc/61/89/82/1093618982.db2.gz WEKSUISMHJAPDP-CABCVRRESA-N 1 3 349.441 2.353 10 0 EEAEHO CCCN(C)CC(=O)NC1(C[NH2+]CC2CCCCC2)CCOCC1 ZINC001440572709 1093842894 /nfs/dbraw/zinc/84/28/94/1093842894.db2.gz VMRXYDRQAQPHBP-UHFFFAOYSA-N 1 3 339.524 2.164 10 0 EEAEHO CC(C)[NH2+]CC1(NC(=O)c2cccc(CN(C)C)c2)CCOCC1 ZINC001440577638 1093848923 /nfs/dbraw/zinc/84/89/23/1093848923.db2.gz QEXPUITTXYMGAU-UHFFFAOYSA-N 1 3 333.476 2.025 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1(C2CC[NH+](CC3CCC3)CC2)CC1 ZINC001449413653 1094397632 /nfs/dbraw/zinc/39/76/32/1094397632.db2.gz UTVBJWNBXLGNCD-UHFFFAOYSA-N 1 3 330.476 2.422 10 0 EEAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](NCc1cncs1)C1CC1 ZINC001441194921 1094555063 /nfs/dbraw/zinc/55/50/63/1094555063.db2.gz BBTBXBFQIUTJOI-GOEBONIOSA-N 1 3 336.505 2.002 10 0 EEAEHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](NCc1cncs1)C1CC1 ZINC001441194921 1094555071 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/nfs/dbraw/zinc/11/52/14/463115214.db2.gz ZYBOFEJQMZJPEN-SFHVURJKSA-N 1 3 341.455 2.483 10 0 EEAEHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000079733836 463245239 /nfs/dbraw/zinc/24/52/39/463245239.db2.gz WOHARVNLEFVULH-HKUYNNGSSA-N 1 3 346.519 2.333 10 0 EEAEHO C[C@@H]1CN(C(=O)CCN(C)c2ccncc2)CC[N@@H+](C2CCC2)C1 ZINC000553526610 468371046 /nfs/dbraw/zinc/37/10/46/468371046.db2.gz ZPZLQGBDYIGQHC-INIZCTEOSA-N 1 3 330.476 2.241 10 0 EEAEHO C[C@@H]1CN(C(=O)CCN(C)c2ccncc2)CC[N@H+](C2CCC2)C1 ZINC000553526610 468371048 /nfs/dbraw/zinc/37/10/48/468371048.db2.gz ZPZLQGBDYIGQHC-INIZCTEOSA-N 1 3 330.476 2.241 10 0 EEAEHO CC1CC[NH+](Cc2ccc(CNC(=O)C3(N)CCOCC3)cc2)CC1 ZINC000261787375 463859930 /nfs/dbraw/zinc/85/99/30/463859930.db2.gz HYMASEJTYXJBLF-UHFFFAOYSA-N 1 3 345.487 2.043 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000171898028 463944828 /nfs/dbraw/zinc/94/48/28/463944828.db2.gz PVHLCBUVRUJXRF-RTBURBONSA-N 1 3 344.503 2.341 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000171898028 463944831 /nfs/dbraw/zinc/94/48/31/463944831.db2.gz PVHLCBUVRUJXRF-RTBURBONSA-N 1 3 344.503 2.341 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)N(C)C)cc1 ZINC000195122260 463996160 /nfs/dbraw/zinc/99/61/60/463996160.db2.gz XVJGPKAIAKZHBJ-ZWKOTPCHSA-N 1 3 332.492 2.245 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C)N(C)C)cc1 ZINC000195122260 463996162 /nfs/dbraw/zinc/99/61/62/463996162.db2.gz XVJGPKAIAKZHBJ-ZWKOTPCHSA-N 1 3 332.492 2.245 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000195123595 463997748 /nfs/dbraw/zinc/99/77/48/463997748.db2.gz GGGCVXZZUUHLHT-SFHVURJKSA-N 1 3 330.476 2.176 10 0 EEAEHO CN1CC[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000179191651 464077799 /nfs/dbraw/zinc/07/77/99/464077799.db2.gz LNYCYUWIUOKVBL-RTBURBONSA-N 1 3 344.503 2.463 10 0 EEAEHO C[N@@H+]1CC[C@@]2(CCN(CCC(=O)N3CCc4sccc4C3)C2)C1 ZINC000292259093 464176956 /nfs/dbraw/zinc/17/69/56/464176956.db2.gz YLGHBWNFDRTCKO-GOSISDBHSA-N 1 3 333.501 2.051 10 0 EEAEHO C[N@H+]1CC[C@@]2(CCN(CCC(=O)N3CCc4sccc4C3)C2)C1 ZINC000292259093 464176963 /nfs/dbraw/zinc/17/69/63/464176963.db2.gz YLGHBWNFDRTCKO-GOSISDBHSA-N 1 3 333.501 2.051 10 0 EEAEHO CCC[N@H+](CC)CCNC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000174651934 464433514 /nfs/dbraw/zinc/43/35/14/464433514.db2.gz HLRMCMZGFSDGOE-UHFFFAOYSA-N 1 3 346.519 2.290 10 0 EEAEHO CCC[N@@H+](CC)CCNC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000174651934 464433519 /nfs/dbraw/zinc/43/35/19/464433519.db2.gz HLRMCMZGFSDGOE-UHFFFAOYSA-N 1 3 346.519 2.290 10 0 EEAEHO CC1CC[NH+](CCNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000245655183 464503011 /nfs/dbraw/zinc/50/30/11/464503011.db2.gz NXFZRCKYFNNZNR-OALUTQOASA-N 1 3 344.503 2.463 10 0 EEAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000247535146 464691590 /nfs/dbraw/zinc/69/15/90/464691590.db2.gz XWUBITPKQIRPLQ-BPQIPLTHSA-N 1 3 330.476 2.167 10 0 EEAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000247535146 464691593 /nfs/dbraw/zinc/69/15/93/464691593.db2.gz XWUBITPKQIRPLQ-BPQIPLTHSA-N 1 3 330.476 2.167 10 0 EEAEHO O=C([C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1)N1CCCC1 ZINC000569128072 468445700 /nfs/dbraw/zinc/44/57/00/468445700.db2.gz AAEONJCCRSTGMC-SFHVURJKSA-N 1 3 327.472 2.167 10 0 EEAEHO CN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)[C@H]2CCC[C@@H]21 ZINC000361185322 465822953 /nfs/dbraw/zinc/82/29/53/465822953.db2.gz BCQMYHYMBZIQMM-JHNDHUHGSA-N 1 3 331.435 2.393 10 0 EEAEHO CN1CC[C@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)[C@@H]2CCC[C@H]21 ZINC000367616883 466450305 /nfs/dbraw/zinc/45/03/05/466450305.db2.gz MKOLTSBXOIVIAU-RYQLBKOJSA-N 1 3 348.466 2.020 10 0 EEAEHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000417696900 466911242 /nfs/dbraw/zinc/91/12/42/466911242.db2.gz VXOURPDXHKDYCN-MPGHIAIKSA-N 1 3 330.476 2.343 10 0 EEAEHO CCC[NH2+]CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417728952 466918398 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CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CNCCCO2)cc1 ZINC000415048905 467475488 /nfs/dbraw/zinc/47/54/88/467475488.db2.gz XSADPOYGQMBODC-CRAIPNDOSA-N 1 3 333.476 2.495 10 0 EEAEHO C[C@H]([NH2+]C[C@H]1CCCCN1CCO)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000449396712 467637708 /nfs/dbraw/zinc/63/77/08/467637708.db2.gz MKDKTTMKGOPPFW-CEWLAPEOSA-N 1 3 345.531 2.333 10 0 EEAEHO C[C@H](NC[C@H]1CCCCN1CCO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449396712 467637713 /nfs/dbraw/zinc/63/77/13/467637713.db2.gz MKDKTTMKGOPPFW-CEWLAPEOSA-N 1 3 345.531 2.333 10 0 EEAEHO C[C@H](NC[C@H]1CCCCN1CCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449396712 467637719 /nfs/dbraw/zinc/63/77/19/467637719.db2.gz MKDKTTMKGOPPFW-CEWLAPEOSA-N 1 3 345.531 2.333 10 0 EEAEHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529286116 467839612 /nfs/dbraw/zinc/83/96/12/467839612.db2.gz XGYBJTCAGSECKC-GOEBONIOSA-N 1 3 348.516 2.469 10 0 EEAEHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529307984 467843549 /nfs/dbraw/zinc/84/35/49/467843549.db2.gz MZTSSHAHQSKKJD-QZTJIDSGSA-N 1 3 342.487 2.235 10 0 EEAEHO CN1CCC[C@@]2(CCN(C(=O)NC3CCC(C[NH+](C)C)CC3)C2)C1 ZINC000458562937 467857455 /nfs/dbraw/zinc/85/74/55/467857455.db2.gz FDEHJNLPRMPTJG-FAFZWHIHSA-N 1 3 336.524 2.234 10 0 EEAEHO C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CCN(C2CC2)C1 ZINC000458569558 467859312 /nfs/dbraw/zinc/85/93/12/467859312.db2.gz KWRXMKJDVOOIQS-GTPINHCMSA-N 1 3 336.524 2.233 10 0 EEAEHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2(N)CCOCC2)c2ccccc21 ZINC000600706482 468626577 /nfs/dbraw/zinc/62/65/77/468626577.db2.gz FCCQVOKMIITOMB-SJORKVTESA-N 1 3 332.444 2.266 10 0 EEAEHO CNC(=O)[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])Cc1ccc(F)cc1C ZINC000583813023 468759915 /nfs/dbraw/zinc/75/99/15/468759915.db2.gz KWYKECULLFEMMD-BQFCYCMXSA-N 1 3 335.467 2.146 10 0 EEAEHO CNC(=O)[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)Cc1ccc(F)cc1C ZINC000583813023 468759917 /nfs/dbraw/zinc/75/99/17/468759917.db2.gz KWYKECULLFEMMD-BQFCYCMXSA-N 1 3 335.467 2.146 10 0 EEAEHO COC(=O)c1cccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000593322571 468938282 /nfs/dbraw/zinc/93/82/82/468938282.db2.gz MLRFCUNUYAPWCH-KZNAEPCWSA-N 1 3 332.444 2.334 10 0 EEAEHO CSC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596692466 469336512 /nfs/dbraw/zinc/33/65/12/469336512.db2.gz GZNDMAWNDLGAEM-HOTGVXAUSA-N 1 3 344.569 2.043 10 0 EEAEHO CSC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596692466 469336516 /nfs/dbraw/zinc/33/65/16/469336516.db2.gz GZNDMAWNDLGAEM-HOTGVXAUSA-N 1 3 344.569 2.043 10 0 EEAEHO C[C@@]1(NC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC[NH2+]C1 ZINC000612902160 469575712 /nfs/dbraw/zinc/57/57/12/469575712.db2.gz RBFYCPKWRKWIQK-MOPGFXCFSA-N 1 3 330.476 2.092 10 0 EEAEHO CN1CC[C@@H]([NH2+]CCN2CCN(Cc3ccccc3)CC2)CC1(C)C ZINC000623340978 469630111 /nfs/dbraw/zinc/63/01/11/469630111.db2.gz ICVFGDYURIQMJH-HXUWFJFHSA-N 1 3 344.547 2.267 10 0 EEAEHO C[N@@H+]1CC[C@@H](NCCN2CCN(Cc3ccccc3)CC2)CC1(C)C ZINC000623340978 469630114 /nfs/dbraw/zinc/63/01/14/469630114.db2.gz ICVFGDYURIQMJH-HXUWFJFHSA-N 1 3 344.547 2.267 10 0 EEAEHO C[N@H+]1CC[C@@H](NCCN2CCN(Cc3ccccc3)CC2)CC1(C)C ZINC000623340978 469630117 /nfs/dbraw/zinc/63/01/17/469630117.db2.gz ICVFGDYURIQMJH-HXUWFJFHSA-N 1 3 344.547 2.267 10 0 EEAEHO CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000606703930 469634484 /nfs/dbraw/zinc/63/44/84/469634484.db2.gz JGGZYWNYJGALMB-SFHVURJKSA-N 1 3 336.524 2.234 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1scnc1C(C)(C)C ZINC000617505842 469704756 /nfs/dbraw/zinc/70/47/56/469704756.db2.gz RUIOJQWMHRZMFB-ZDUSSCGKSA-N 1 3 340.537 2.442 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1scnc1C(C)(C)C ZINC000617505842 469704761 /nfs/dbraw/zinc/70/47/61/469704761.db2.gz RUIOJQWMHRZMFB-ZDUSSCGKSA-N 1 3 340.537 2.442 10 0 EEAEHO COc1cccc2c1[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC2 ZINC000617507721 469708154 /nfs/dbraw/zinc/70/81/54/469708154.db2.gz HAHPZZYDLIWNIT-DOTOQJQBSA-N 1 3 347.503 2.113 10 0 EEAEHO COc1cccc2c1[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC2 ZINC000617507721 469708156 /nfs/dbraw/zinc/70/81/56/469708156.db2.gz HAHPZZYDLIWNIT-DOTOQJQBSA-N 1 3 347.503 2.113 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N[C@H](CN2CCCC2)c2ccccc2)C[NH2+]1 ZINC000626934701 469761146 /nfs/dbraw/zinc/76/11/46/469761146.db2.gz LTDOXEQTFLBSPB-BPQIPLTHSA-N 1 3 330.476 2.263 10 0 EEAEHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@H]1CCCCO1 ZINC000623868954 469783940 /nfs/dbraw/zinc/78/39/40/469783940.db2.gz LVKORAIDSUVIAV-FXAWDEMLSA-N 1 3 331.504 2.481 10 0 EEAEHO C[NH+](C)CC1(CNC(=O)NC[C@H]2CCN2C2CCCC2)CCCC1 ZINC000623955403 469805123 /nfs/dbraw/zinc/80/51/23/469805123.db2.gz ZAYQSYRDVXRRMS-QGZVFWFLSA-N 1 3 336.524 2.425 10 0 EEAEHO C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000608648483 469852466 /nfs/dbraw/zinc/85/24/66/469852466.db2.gz VHIFQLHFIVZJNQ-IEBWSBKVSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000608648483 469852470 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CC[C@H]1CN(C(=O)c2ccc(N3CCN(CC)CC3)cc2)CC[C@@H]1[NH3+] ZINC000647011647 470805549 /nfs/dbraw/zinc/80/55/49/470805549.db2.gz IMCAZLMUYBTLEY-LPHOPBHVSA-N 1 3 344.503 2.028 10 0 EEAEHO C[C@@H](NC(=O)c1ccccc1OCCN1CCCC[C@@H]1C)[C@H](C)[NH3+] ZINC000647068423 470819218 /nfs/dbraw/zinc/81/92/18/470819218.db2.gz UOOSZYJRQRWDQT-HRCADAONSA-N 1 3 333.476 2.405 10 0 EEAEHO COC[C@]1(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CCCCN1 ZINC000638131296 470979714 /nfs/dbraw/zinc/97/97/14/470979714.db2.gz LFFGJTUPJMOXJI-XLIONFOSSA-N 1 3 347.503 2.172 10 0 EEAEHO COC[C@]1(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCCCN1 ZINC000638131296 470979718 /nfs/dbraw/zinc/97/97/18/470979718.db2.gz LFFGJTUPJMOXJI-XLIONFOSSA-N 1 3 347.503 2.172 10 0 EEAEHO O=C(CCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCc2sccc2C1 ZINC000647902007 471011884 /nfs/dbraw/zinc/01/18/84/471011884.db2.gz YNDUOSXRUXSGAQ-RDJZCZTQSA-N 1 3 347.528 2.487 10 0 EEAEHO C[NH+](C)CCOc1ccc(CN2CC[C@H](Nc3ncccn3)C2)cc1 ZINC000648049358 471067876 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CC(C)[NH+]1CCC(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659028789 471474146 /nfs/dbraw/zinc/47/41/46/471474146.db2.gz PJWMJAXXFCKBFQ-GOSISDBHSA-N 1 3 346.475 2.342 10 0 EEAEHO C[C@@H](NC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C(C)(C)C[NH+](C)C ZINC000659039600 471482966 /nfs/dbraw/zinc/48/29/66/471482966.db2.gz LTHSMQNSKBXZEN-RHSMWYFYSA-N 1 3 348.491 2.445 10 0 EEAEHO CCCN1CCN(c2ccccc2CN[C@@H]2CCC[NH2+]CC2)CC1 ZINC000666856419 471563834 /nfs/dbraw/zinc/56/38/34/471563834.db2.gz HDVUNHPWIPPTTC-LJQANCHMSA-N 1 3 330.520 2.450 10 0 EEAEHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659433339 471625357 /nfs/dbraw/zinc/62/53/57/471625357.db2.gz AHLIFAQOSRQBJM-BHIYHBOVSA-N 1 3 344.503 2.306 10 0 EEAEHO CSc1ccc([C@@H](CNC(=O)NCC23CC(C2)C[NH2+]3)N(C)C)cc1 ZINC000659497068 471656010 /nfs/dbraw/zinc/65/60/10/471656010.db2.gz AWSCVJDZSPRFEB-CRPOECCBSA-N 1 3 348.516 2.062 10 0 EEAEHO C[C@H](CCN1CCC[C@](O)(C2CC2)C1)[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661628560 471833883 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/nfs/dbraw/zinc/04/68/14/472046814.db2.gz NYWGSURDVPNDRA-HNNXBMFYSA-N 1 3 339.277 2.444 10 0 EEAEHO C[NH+](C)CCC[C@@H]1CN([C@@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000662324347 472071881 /nfs/dbraw/zinc/07/18/81/472071881.db2.gz VMUSQHLNOQWRMF-WOJBJXKFSA-N 1 3 331.504 2.304 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cccc(F)c1 ZINC000665636646 472119288 /nfs/dbraw/zinc/11/92/88/472119288.db2.gz FJCBULZQAVMZCX-HNNXBMFYSA-N 1 3 338.471 2.239 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cccc(F)c1 ZINC000665636646 472119293 /nfs/dbraw/zinc/11/92/93/472119293.db2.gz FJCBULZQAVMZCX-HNNXBMFYSA-N 1 3 338.471 2.239 10 0 EEAEHO CCN(C(=O)N[C@H]1CCCN(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000681211798 486173103 /nfs/dbraw/zinc/17/31/03/486173103.db2.gz ZONBITLQEGVYGY-RBUKOAKNSA-N 1 3 344.503 2.387 10 0 EEAEHO CCN(C(=O)N[C@H]1CCCN(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681211798 486173107 /nfs/dbraw/zinc/17/31/07/486173107.db2.gz ZONBITLQEGVYGY-RBUKOAKNSA-N 1 3 344.503 2.387 10 0 EEAEHO 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CUIVBOWBPXCRBI-SFHVURJKSA-N 1 3 347.503 2.111 10 0 EEAEHO CN(CC[NH2+]Cc1ccc(Cl)s1)C(=O)CN(C)C1CCC1 ZINC001266726450 1177312660 /nfs/dbraw/zinc/31/26/60/1177312660.db2.gz WJXDYDMNLOOQDX-UHFFFAOYSA-N 1 3 329.897 2.434 10 0 EEAEHO CC(C)OCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001691396292 1178001533 /nfs/dbraw/zinc/00/15/33/1178001533.db2.gz XTUSFSNAINKKTO-BZSNNMDCSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)OCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001691396292 1178001543 /nfs/dbraw/zinc/00/15/43/1178001543.db2.gz XTUSFSNAINKKTO-BZSNNMDCSA-N 1 3 339.524 2.065 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCCOC(C)C)C1)N(C)C ZINC001267113797 1178272183 /nfs/dbraw/zinc/27/21/83/1178272183.db2.gz SFBJTXGNQYZTRN-SJORKVTESA-N 1 3 327.513 2.065 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCCOC(C)C)C1)N(C)C ZINC001267113797 1178272192 /nfs/dbraw/zinc/27/21/92/1178272192.db2.gz SFBJTXGNQYZTRN-SJORKVTESA-N 1 3 327.513 2.065 10 0 EEAEHO Cc1ccc(CNCCN(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)c(C)n1 ZINC001267118038 1178281967 /nfs/dbraw/zinc/28/19/67/1178281967.db2.gz ZYNXDQFXGDWMFO-IBGZPJMESA-N 1 3 346.519 2.367 10 0 EEAEHO Cc1oncc1CN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001481350660 1181093225 /nfs/dbraw/zinc/09/32/25/1181093225.db2.gz OMQJNZSXJRYAFD-RHSMWYFYSA-N 1 3 336.480 2.040 10 0 EEAEHO Cc1oncc1CN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001481350660 1181093230 /nfs/dbraw/zinc/09/32/30/1181093230.db2.gz OMQJNZSXJRYAFD-RHSMWYFYSA-N 1 3 336.480 2.040 10 0 EEAEHO Cc1ncoc1CN1CC[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481449796 1181379306 /nfs/dbraw/zinc/37/93/06/1181379306.db2.gz IALVEHWMTZDFHJ-KRWDZBQOSA-N 1 3 348.491 2.043 10 0 EEAEHO CCCN(C)CC(=O)NCC1C[NH+](CC[C@@H]2CCCC2(F)F)C1 ZINC001481656072 1182141655 /nfs/dbraw/zinc/14/16/55/1182141655.db2.gz NQBSZDRWCHQLND-HNNXBMFYSA-N 1 3 331.451 2.202 10 0 EEAEHO Cc1nc(CNCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c(C)s1 ZINC001268398199 1182477715 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C[NH+](C)CCC(=O)N1CCC(CCNC/C(Cl)=C/Cl)CC1 ZINC001482004893 1183110755 /nfs/dbraw/zinc/11/07/55/1183110755.db2.gz YBEQOJVZRDQPTR-KAMYIIQDSA-N 1 3 336.307 2.475 10 0 EEAEHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)CCCC[NH+](C)C)CC2)on1 ZINC001482026676 1183154898 /nfs/dbraw/zinc/15/48/98/1183154898.db2.gz OMUSOJXIVSSLAP-WKILWMFISA-N 1 3 336.480 2.232 10 0 EEAEHO CC(C)n1ccc(CNC[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001482134234 1183383233 /nfs/dbraw/zinc/38/32/33/1183383233.db2.gz AFYHNSGPJMRLEG-IKGGRYGDSA-N 1 3 349.523 2.036 10 0 EEAEHO CC(C)n1ccc(CNC[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC001482134234 1183383240 /nfs/dbraw/zinc/38/32/40/1183383240.db2.gz AFYHNSGPJMRLEG-IKGGRYGDSA-N 1 3 349.523 2.036 10 0 EEAEHO CCOCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001482330253 1185413189 /nfs/dbraw/zinc/41/31/89/1185413189.db2.gz HYNYXZIJHHXSKL-QAPCUYQASA-N 1 3 345.503 2.062 10 0 EEAEHO Cc1ccccc1CCC[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001482364258 1185518192 /nfs/dbraw/zinc/51/81/92/1185518192.db2.gz GBIGIDUJYSIHIP-SFHVURJKSA-N 1 3 331.504 2.460 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CC[C@H]2CCCCN2C(=O)CN2CCCC2)o1 ZINC001482462915 1185935096 /nfs/dbraw/zinc/93/50/96/1185935096.db2.gz WJLIFTNTEZAUSV-QGZVFWFLSA-N 1 3 348.491 2.248 10 0 EEAEHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1[NH2+]CCCF ZINC001271395912 1186186334 /nfs/dbraw/zinc/18/63/34/1186186334.db2.gz UHNJKSVHOKOHKI-HOTGVXAUSA-N 1 3 327.488 2.437 10 0 EEAEHO CO[C@@H](C)CN(C)CCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001482608786 1187368723 /nfs/dbraw/zinc/36/87/23/1187368723.db2.gz WBHIZJMPUKAOCY-HNNXBMFYSA-N 1 3 327.513 2.065 10 0 EEAEHO CO[C@@H](C)CN(C)CCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001482608786 1187368726 /nfs/dbraw/zinc/36/87/26/1187368726.db2.gz WBHIZJMPUKAOCY-HNNXBMFYSA-N 1 3 327.513 2.065 10 0 EEAEHO CN(CC[N@H+](C)C[C@@H]1CCc2ccccc2C1)C(=O)CN1CCCC1 ZINC001482648958 1187479967 /nfs/dbraw/zinc/47/99/67/1187479967.db2.gz CPQXUSSAGYCGKS-GOSISDBHSA-N 1 3 343.515 2.278 10 0 EEAEHO CN(CC[N@@H+](C)C[C@@H]1CCc2ccccc2C1)C(=O)CN1CCCC1 ZINC001482648958 1187479969 /nfs/dbraw/zinc/47/99/69/1187479969.db2.gz CPQXUSSAGYCGKS-GOSISDBHSA-N 1 3 343.515 2.278 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H]1CCCc2ccccc21 ZINC001482992709 1187970677 /nfs/dbraw/zinc/97/06/77/1187970677.db2.gz YIEQNTOTBWAFJY-WFRZBGSESA-N 1 3 327.472 2.420 10 0 EEAEHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCF)C1)N1CCCCC1 ZINC001691589582 1188292204 /nfs/dbraw/zinc/29/22/04/1188292204.db2.gz VQOIKJFXACEWTI-JKSUJKDBSA-N 1 3 327.488 2.485 10 0 EEAEHO Cc1nn(C(C)C)cc1C[NH2+][C@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001485882916 1193628651 /nfs/dbraw/zinc/62/86/51/1193628651.db2.gz XOTPPZYXIYTSBR-OAHLLOKOSA-N 1 3 349.523 2.193 10 0 EEAEHO COc1cccc([C@@H](C)[NH2+]CCCN(C)C(=O)CN2CCCC2)c1 ZINC001483510467 1190522066 /nfs/dbraw/zinc/52/20/66/1190522066.db2.gz KWCNTEPBWUHSMN-MRXNPFEDSA-N 1 3 333.476 2.290 10 0 EEAEHO CCOCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001486137993 1193692388 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EEAEHO CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCOCC2CCC2)CC1)N(C)C ZINC001484724731 1191485267 /nfs/dbraw/zinc/48/52/67/1191485267.db2.gz UXHSXOXBXIPMHC-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CCOCC2CCC2)CC1)N(C)C ZINC001484724731 1191485268 /nfs/dbraw/zinc/48/52/68/1191485268.db2.gz UXHSXOXBXIPMHC-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO CN(CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)CCC(F)(F)F ZINC001484742566 1191495079 /nfs/dbraw/zinc/49/50/79/1191495079.db2.gz GOVACAQFWBFLLN-AWEZNQCLSA-N 1 3 335.414 2.061 10 0 EEAEHO CCCCC[NH2+][C@@]1(CO)CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001484849717 1191548294 /nfs/dbraw/zinc/54/82/94/1191548294.db2.gz YZWHCBLYVKUWCW-IBGZPJMESA-N 1 3 341.540 2.098 10 0 EEAEHO Cc1ncc(CN[C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001485181897 1191679525 /nfs/dbraw/zinc/67/95/25/1191679525.db2.gz UESDBUWCASCGNU-STQMWFEESA-N 1 3 338.521 2.309 10 0 EEAEHO CC[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C(F)(F)F ZINC001486254585 1193782043 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10 0 EEAEHO Cc1ncsc1CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001410457003 1197932512 /nfs/dbraw/zinc/93/25/12/1197932512.db2.gz SHTRSKBLJDATKZ-YDHLFZDLSA-N 1 3 338.521 2.118 10 0 EEAEHO Cc1ncsc1CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001410457003 1197932521 /nfs/dbraw/zinc/93/25/21/1197932521.db2.gz SHTRSKBLJDATKZ-YDHLFZDLSA-N 1 3 338.521 2.118 10 0 EEAEHO COc1ncncc1CNCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865774263 1198370612 /nfs/dbraw/zinc/37/06/12/1198370612.db2.gz HISIDFXDOMZNIA-UHFFFAOYSA-N 1 3 326.444 2.238 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1N(CCC(F)(F)F)CC2 ZINC001410914059 1198568617 /nfs/dbraw/zinc/56/86/17/1198568617.db2.gz QTBDDXLKLVJIPR-ZFWWWQNUSA-N 1 3 335.414 2.394 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@@H]1N(CCC(F)(F)F)CC2 ZINC001410914059 1198568619 /nfs/dbraw/zinc/56/86/19/1198568619.db2.gz QTBDDXLKLVJIPR-ZFWWWQNUSA-N 1 3 335.414 2.394 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1scnc1C)C(C)(C)C)N(C)C ZINC001411211133 1198920467 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CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C(C)(C)C1 ZINC001274437869 1205036045 /nfs/dbraw/zinc/03/60/45/1205036045.db2.gz YCNXLGKFUQCEEE-IAGOWNOFSA-N 1 3 339.524 2.112 10 0 EEAEHO CCOCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C(C)(C)C1 ZINC001274437869 1205036046 /nfs/dbraw/zinc/03/60/46/1205036046.db2.gz YCNXLGKFUQCEEE-IAGOWNOFSA-N 1 3 339.524 2.112 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC[C@H]1CCCCO1 ZINC001274610222 1205096970 /nfs/dbraw/zinc/09/69/70/1205096970.db2.gz MXGJWAYZGUDMGM-OSFIAYCASA-N 1 3 337.508 2.082 10 0 EEAEHO Cc1ncccc1C[NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001276226940 1205843596 /nfs/dbraw/zinc/84/35/96/1205843596.db2.gz LRCWRFXYGNNKKA-UHFFFAOYSA-N 1 3 334.508 2.306 10 0 EEAEHO CNC(=O)c1cccc(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)c1 ZINC000925521191 1206122508 /nfs/dbraw/zinc/12/25/08/1206122508.db2.gz IYDKGQCWICWXPE-OALUTQOASA-N 1 3 329.488 2.347 10 0 EEAEHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2cccc(NS(C)(=O)=O)c2)C1 ZINC000925525536 1206123319 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1242071327 /nfs/dbraw/zinc/07/13/27/1242071327.db2.gz WYLUYTQTBADPJD-UHFFFAOYSA-N 1 3 342.443 2.124 10 0 EEAEHO COc1ccccc1C[C@@H](C)N(C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903890278 1242346761 /nfs/dbraw/zinc/34/67/61/1242346761.db2.gz BADPOLSQINOTHT-NVXWUHKLSA-N 1 3 344.503 2.418 10 0 EEAEHO COc1ccccc1C[C@@H](C)[N@H+](C)C[C@@H](CN)Cc1cnn(C)c1C ZINC000903890278 1242346767 /nfs/dbraw/zinc/34/67/67/1242346767.db2.gz BADPOLSQINOTHT-NVXWUHKLSA-N 1 3 344.503 2.418 10 0 EEAEHO COc1ccccc1C[C@@H](C)[N@@H+](C)C[C@@H](CN)Cc1cnn(C)c1C ZINC000903890278 1242346776 /nfs/dbraw/zinc/34/67/76/1242346776.db2.gz BADPOLSQINOTHT-NVXWUHKLSA-N 1 3 344.503 2.418 10 0 EEAEHO Cc1ccccc1OCCCNCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903922696 1242513717 /nfs/dbraw/zinc/51/37/17/1242513717.db2.gz CBADTGLMJJRABF-MRXNPFEDSA-N 1 3 329.448 2.070 10 0 EEAEHO Cc1c(C[C@H](CN)C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)cnn1C ZINC000903925140 1242520783 /nfs/dbraw/zinc/52/07/83/1242520783.db2.gz KSQHOKGSPNAMAU-RYRKJORJSA-N 1 3 336.524 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C[N@@H+]1CCC[C@H]1CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000195129910 463999777 /nfs/dbraw/zinc/99/97/77/463999777.db2.gz HUQVAHRFNWQYBD-SFHVURJKSA-N 1 3 344.503 2.217 10 0 EEAEHO C[N@H+]1CCC[C@H]1CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000195129910 463999781 /nfs/dbraw/zinc/99/97/81/463999781.db2.gz HUQVAHRFNWQYBD-SFHVURJKSA-N 1 3 344.503 2.217 10 0 EEAEHO C[C@@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCO1 ZINC000183090231 464793976 /nfs/dbraw/zinc/79/39/76/464793976.db2.gz GIVBWRNVLSVDSS-APWZRJJASA-N 1 3 345.487 2.056 10 0 EEAEHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCN1C ZINC000266830075 464837435 /nfs/dbraw/zinc/83/74/35/464837435.db2.gz ZDHJXPKNMCNWNT-MOPGFXCFSA-N 1 3 344.503 2.244 10 0 EEAEHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCN1C ZINC000266830075 464837444 /nfs/dbraw/zinc/83/74/44/464837444.db2.gz ZDHJXPKNMCNWNT-MOPGFXCFSA-N 1 3 344.503 2.244 10 0 EEAEHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](CN(C)C)c2ccccc2)C1 ZINC000249742983 464911681 /nfs/dbraw/zinc/91/16/81/464911681.db2.gz KRWBVTWZINJVHG-SJLPKXTDSA-N 1 3 332.492 2.320 10 0 EEAEHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](CN(C)C)c2ccccc2)C1 ZINC000249742983 464911690 /nfs/dbraw/zinc/91/16/90/464911690.db2.gz KRWBVTWZINJVHG-SJLPKXTDSA-N 1 3 332.492 2.320 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000344518997 465637844 /nfs/dbraw/zinc/63/78/44/465637844.db2.gz ROTRIHUYOLDDBM-ROUUACIJSA-N 1 3 336.524 2.425 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000344518997 465637853 /nfs/dbraw/zinc/63/78/53/465637853.db2.gz ROTRIHUYOLDDBM-ROUUACIJSA-N 1 3 336.524 2.425 10 0 EEAEHO CC(C)C[C@H]([NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C)C(=O)NCCN(C)C ZINC000361023320 465711872 /nfs/dbraw/zinc/71/18/72/465711872.db2.gz UWZFAZAKLDMATN-GVDBMIGSSA-N 1 3 341.540 2.261 10 0 EEAEHO CN(C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000340302056 465970208 /nfs/dbraw/zinc/97/02/08/465970208.db2.gz KCWAKJDYHCPKMJ-CEXWTWQISA-N 1 3 342.487 2.310 10 0 EEAEHO CN(C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340302056 465970212 /nfs/dbraw/zinc/97/02/12/465970212.db2.gz KCWAKJDYHCPKMJ-CEXWTWQISA-N 1 3 342.487 2.310 10 0 EEAEHO CN(C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340302056 465970214 /nfs/dbraw/zinc/97/02/14/465970214.db2.gz KCWAKJDYHCPKMJ-CEXWTWQISA-N 1 3 342.487 2.310 10 0 EEAEHO CN(C(=O)c1ccc(Nc2ccncc2)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000346981016 466295171 /nfs/dbraw/zinc/29/51/71/466295171.db2.gz MHTKQXDSQWKTLO-LJQANCHMSA-N 1 3 336.439 2.413 10 0 EEAEHO C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000358001936 466379827 /nfs/dbraw/zinc/37/98/27/466379827.db2.gz FWDNUQOIPGALGJ-QUCCMNQESA-N 1 3 330.520 2.129 10 0 EEAEHO COc1ccc2c(c1)[C@H](N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC2 ZINC000347191469 466464891 /nfs/dbraw/zinc/46/48/91/466464891.db2.gz HKUKPUXHPZENOX-MOPGFXCFSA-N 1 3 347.503 2.365 10 0 EEAEHO COc1cccc([C@@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000347236951 466500899 /nfs/dbraw/zinc/50/08/99/466500899.db2.gz UBEHUDPERBWFAX-QAPCUYQASA-N 1 3 335.492 2.438 10 0 EEAEHO CC1=CCN(CCNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000358192497 466530050 /nfs/dbraw/zinc/53/00/50/466530050.db2.gz PZNKMLSQPIECEM-GOSISDBHSA-N 1 3 344.503 2.458 10 0 EEAEHO CC1=CCN(CCNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000358192497 466530061 /nfs/dbraw/zinc/53/00/61/466530061.db2.gz PZNKMLSQPIECEM-GOSISDBHSA-N 1 3 344.503 2.458 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417176130 466795732 /nfs/dbraw/zinc/79/57/32/466795732.db2.gz BXDMJDGJDBAQIF-FHWLQOOXSA-N 1 3 346.519 2.224 10 0 EEAEHO C[C@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N(C)Cc1ccccc1 ZINC000417590441 466889086 /nfs/dbraw/zinc/88/90/86/466889086.db2.gz RFRQZTILDIBXGY-XLIONFOSSA-N 1 3 344.503 2.292 10 0 EEAEHO CCCN(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000417931116 466990320 /nfs/dbraw/zinc/99/03/20/466990320.db2.gz BOIDKJFGDHXNPC-KZNAEPCWSA-N 1 3 330.476 2.215 10 0 EEAEHO CC(C)N(C)CC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000377053479 467010947 /nfs/dbraw/zinc/01/09/47/467010947.db2.gz SYJGSUUPCVKSFM-UHFFFAOYSA-N 1 3 335.414 2.248 10 0 EEAEHO N[C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000418425309 467108872 /nfs/dbraw/zinc/10/88/72/467108872.db2.gz HXBCUDXHYYCDOX-SFHVURJKSA-N 1 3 330.476 2.346 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000382753438 467379326 /nfs/dbraw/zinc/37/93/26/467379326.db2.gz DSRBEJUXLREJSO-PKOBYXMFSA-N 1 3 329.488 2.499 10 0 EEAEHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000420813796 467488332 /nfs/dbraw/zinc/48/83/32/467488332.db2.gz HOBVDEIOKRYBCS-OKZBNKHCSA-N 1 3 330.476 2.167 10 0 EEAEHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000420813796 467488336 /nfs/dbraw/zinc/48/83/36/467488336.db2.gz HOBVDEIOKRYBCS-OKZBNKHCSA-N 1 3 330.476 2.167 10 0 EEAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](O)COCC2CC2)CC1 ZINC000449114481 467618924 /nfs/dbraw/zinc/61/89/24/467618924.db2.gz CWGUQGPTEJTQLY-UTKZUKDTSA-N 1 3 346.515 2.459 10 0 EEAEHO COCCN1CC[C@H]([NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449156946 467621362 /nfs/dbraw/zinc/62/13/62/467621362.db2.gz UEMADJGTKHLATE-NQIIRXRSSA-N 1 3 345.531 2.392 10 0 EEAEHO COCCN1CC[C@H](NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449156946 467621363 /nfs/dbraw/zinc/62/13/63/467621363.db2.gz UEMADJGTKHLATE-NQIIRXRSSA-N 1 3 345.531 2.392 10 0 EEAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H](C)C(=O)NCCF)CC1 ZINC000449305215 467629455 /nfs/dbraw/zinc/62/94/55/467629455.db2.gz FGYBIJKEJWSFHV-CVEARBPZSA-N 1 3 335.467 2.146 10 0 EEAEHO CCc1cc(CCC[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)on1 ZINC000450640952 467884521 /nfs/dbraw/zinc/88/45/21/467884521.db2.gz HKJKHXPKPZYUQD-VQIMIIECSA-N 1 3 334.508 2.127 10 0 EEAEHO CCc1cc(CCC[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)on1 ZINC000450640952 467884525 /nfs/dbraw/zinc/88/45/25/467884525.db2.gz HKJKHXPKPZYUQD-VQIMIIECSA-N 1 3 334.508 2.127 10 0 EEAEHO CCc1cc(CCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)on1 ZINC000450640952 467884527 /nfs/dbraw/zinc/88/45/27/467884527.db2.gz HKJKHXPKPZYUQD-VQIMIIECSA-N 1 3 334.508 2.127 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000515341939 467986443 /nfs/dbraw/zinc/98/64/43/467986443.db2.gz CGUFYICWJCRHTF-POAQFYNOSA-N 1 3 344.503 2.338 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccc[nH]3)CC2)CC1 ZINC000570055755 468584629 /nfs/dbraw/zinc/58/46/29/468584629.db2.gz GMKZQASOHBTXLX-UHFFFAOYSA-N 1 3 332.492 2.169 10 0 EEAEHO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(CN2CCCC2)c1 ZINC000594642144 468640134 /nfs/dbraw/zinc/64/01/34/468640134.db2.gz LGBUGFNOQJEVMF-IBGZPJMESA-N 1 3 327.472 2.497 10 0 EEAEHO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cccc(CN2CCCC2)c1 ZINC000594642144 468640137 /nfs/dbraw/zinc/64/01/37/468640137.db2.gz LGBUGFNOQJEVMF-IBGZPJMESA-N 1 3 327.472 2.497 10 0 EEAEHO C[C@H]1CCCCN1CCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000573134520 469068747 /nfs/dbraw/zinc/06/87/47/469068747.db2.gz MCZVSVOJNITFLN-HKUYNNGSSA-N 1 3 329.488 2.499 10 0 EEAEHO C[C@H]1CCCCN1CCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000573134520 469068756 /nfs/dbraw/zinc/06/87/56/469068756.db2.gz MCZVSVOJNITFLN-HKUYNNGSSA-N 1 3 329.488 2.499 10 0 EEAEHO CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000573675861 469182154 /nfs/dbraw/zinc/18/21/54/469182154.db2.gz VUMGYLACVAUURH-UAGQMJEPSA-N 1 3 333.451 2.166 10 0 EEAEHO CC1(C)NC(=O)CC[C@@H]1NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000573675861 469182160 /nfs/dbraw/zinc/18/21/60/469182160.db2.gz VUMGYLACVAUURH-UAGQMJEPSA-N 1 3 333.451 2.166 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(CC4CC4)C3)CC2)CC1 ZINC000622247768 469417539 /nfs/dbraw/zinc/41/75/39/469417539.db2.gz PSLQINFMJXNIDH-UHFFFAOYSA-N 1 3 333.520 2.441 10 0 EEAEHO C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(OCc2nccn2C)cc1 ZINC000629520295 469571760 /nfs/dbraw/zinc/57/17/60/469571760.db2.gz FUQJYEOSYRMLFW-HNNXBMFYSA-N 1 3 344.459 2.158 10 0 EEAEHO Cc1ccccc1SCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503687 469700668 /nfs/dbraw/zinc/70/06/68/469700668.db2.gz UQTIHEJWARGKKH-INIZCTEOSA-N 1 3 337.533 2.475 10 0 EEAEHO Cc1ccccc1SCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503687 469700672 /nfs/dbraw/zinc/70/06/72/469700672.db2.gz UQTIHEJWARGKKH-INIZCTEOSA-N 1 3 337.533 2.475 10 0 EEAEHO COc1ccc2c(c1)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC2 ZINC000617507241 469705670 /nfs/dbraw/zinc/70/56/70/469705670.db2.gz NOAQTXKETSYXOQ-MAUKXSAKSA-N 1 3 347.503 2.113 10 0 EEAEHO COc1ccc2c(c1)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC2 ZINC000617507241 469705673 /nfs/dbraw/zinc/70/56/73/469705673.db2.gz NOAQTXKETSYXOQ-MAUKXSAKSA-N 1 3 347.503 2.113 10 0 EEAEHO Cc1cc(F)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1F ZINC000617506310 469706261 /nfs/dbraw/zinc/70/62/61/469706261.db2.gz KANZOWNXEJXTHJ-ZDUSSCGKSA-N 1 3 327.419 2.275 10 0 EEAEHO Cc1cc(F)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1F ZINC000617506310 469706265 /nfs/dbraw/zinc/70/62/65/469706265.db2.gz KANZOWNXEJXTHJ-ZDUSSCGKSA-N 1 3 327.419 2.275 10 0 EEAEHO CCN(C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000617551054 469722887 /nfs/dbraw/zinc/72/28/87/469722887.db2.gz KDZYLIKDSYREAU-PMACEKPBSA-N 1 3 343.515 2.494 10 0 EEAEHO CCN(C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000617551054 469722889 /nfs/dbraw/zinc/72/28/89/469722889.db2.gz KDZYLIKDSYREAU-PMACEKPBSA-N 1 3 343.515 2.494 10 0 EEAEHO CN(CCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000626925315 469756169 /nfs/dbraw/zinc/75/61/69/469756169.db2.gz KGJJYIKVBGWYDE-QGZVFWFLSA-N 1 3 330.476 2.092 10 0 EEAEHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627194345 469839375 /nfs/dbraw/zinc/83/93/75/469839375.db2.gz AWFPMSGEGBNSHE-PKOBYXMFSA-N 1 3 344.503 2.353 10 0 EEAEHO C[C@H]1CC[C@@H](NC(=O)N(C)C2CCN(Cc3ccccc3)CC2)C[NH2+]1 ZINC000627199488 469841833 /nfs/dbraw/zinc/84/18/33/469841833.db2.gz YBJDBZSBSDRZEJ-FUHWJXTLSA-N 1 3 344.503 2.433 10 0 EEAEHO CCC[N@H+](C)CC(C)(C)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000620623662 469878092 /nfs/dbraw/zinc/87/80/92/469878092.db2.gz DOXPCLTXFQOPLE-UHFFFAOYSA-N 1 3 339.524 2.258 10 0 EEAEHO CCC[N@@H+](C)CC(C)(C)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000620623662 469878093 /nfs/dbraw/zinc/87/80/93/469878093.db2.gz DOXPCLTXFQOPLE-UHFFFAOYSA-N 1 3 339.524 2.258 10 0 EEAEHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000620909784 469947947 /nfs/dbraw/zinc/94/79/47/469947947.db2.gz KJBNVTMRBYOXST-HOTGVXAUSA-N 1 3 339.524 2.255 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC[N@@H+]1C ZINC000633096123 470349705 /nfs/dbraw/zinc/34/97/05/470349705.db2.gz BBLUOULDZUMEBE-GDAAHCPNSA-N 1 3 329.488 2.496 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC[N@H+]1C ZINC000633096123 470349710 /nfs/dbraw/zinc/34/97/10/470349710.db2.gz BBLUOULDZUMEBE-GDAAHCPNSA-N 1 3 329.488 2.496 10 0 EEAEHO C[C@@H]1OCC[C@H]1N(CCO)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648813445 470355286 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CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CCC1CCOCC1 ZINC001409554922 1190029156 /nfs/dbraw/zinc/02/91/56/1190029156.db2.gz KWPMKWSKWHWCGL-FUHWJXTLSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CCC1CCOCC1 ZINC001409554922 1190029163 /nfs/dbraw/zinc/02/91/63/1190029163.db2.gz KWPMKWSKWHWCGL-FUHWJXTLSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1ncc(C[NH2+][C@@H](CCN(C)C(=O)[C@H]2CCCN2C)C(C)C)o1 ZINC001409771525 1190266036 /nfs/dbraw/zinc/26/60/36/1190266036.db2.gz MVEPMCUNKAJHKA-DLBZAZTESA-N 1 3 336.480 2.040 10 0 EEAEHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]Cc1cnc(C)o1 ZINC001483621348 1190604757 /nfs/dbraw/zinc/60/47/57/1190604757.db2.gz GXLNGCBDWCBONV-DOTOQJQBSA-N 1 3 336.480 2.040 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cncs2)[C@@H](CC)C1 ZINC001483626956 1190691637 /nfs/dbraw/zinc/69/16/37/1190691637.db2.gz TZEVLIMSHHQJEW-HOCLYGCPSA-N 1 3 338.521 2.202 10 0 EEAEHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+]CCOC(C)C)C1 ZINC001691637184 1190749333 /nfs/dbraw/zinc/74/93/33/1190749333.db2.gz UWXSWESXCFWDQW-QGZVFWFLSA-N 1 3 327.513 2.114 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(NCc2ccc(C)nc2C)CC1 ZINC001483737782 1190868524 /nfs/dbraw/zinc/86/85/24/1190868524.db2.gz DUAMTPRHOGZOJQ-GOSISDBHSA-N 1 3 344.503 2.311 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(NCc2ccc(C)nc2C)CC1 ZINC001483737782 1190868525 /nfs/dbraw/zinc/86/85/25/1190868525.db2.gz DUAMTPRHOGZOJQ-GOSISDBHSA-N 1 3 344.503 2.311 10 0 EEAEHO Cc1nocc1CNCC[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001272652501 1190961726 /nfs/dbraw/zinc/96/17/26/1190961726.db2.gz LBKGVQNSPPXHRB-QGZVFWFLSA-N 1 3 348.491 2.187 10 0 EEAEHO CCOCC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001484093890 1191207898 /nfs/dbraw/zinc/20/78/98/1191207898.db2.gz LRPOUCWGUPAQFT-IBGZPJMESA-N 1 3 339.524 2.116 10 0 EEAEHO CCOCCC[NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001484906595 1191570319 /nfs/dbraw/zinc/57/03/19/1191570319.db2.gz MBZWTQXXLANBLA-LPHOPBHVSA-N 1 3 347.503 2.225 10 0 EEAEHO C[C@@H]([NH2+]Cc1ccc(Cl)nc1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001485157655 1191673271 /nfs/dbraw/zinc/67/32/71/1191673271.db2.gz UMSBCYVHAUELFP-OLZOCXBDSA-N 1 3 338.883 2.202 10 0 EEAEHO C[N@H+](CCC(=O)N1C[C@@H](NCCF)C(C)(C)C1)C1CCCCC1 ZINC001486239221 1193766304 /nfs/dbraw/zinc/76/63/04/1193766304.db2.gz YWBOYLGTGJCAAJ-MRXNPFEDSA-N 1 3 327.488 2.437 10 0 EEAEHO C[N@@H+](CCC(=O)N1C[C@@H](NCCF)C(C)(C)C1)C1CCCCC1 ZINC001486239221 1193766308 /nfs/dbraw/zinc/76/63/08/1193766308.db2.gz YWBOYLGTGJCAAJ-MRXNPFEDSA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1cc(CN[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C(C)C)no1 ZINC001410255215 1197638789 /nfs/dbraw/zinc/63/87/89/1197638789.db2.gz KXDZFOJMZMJMIW-QGZVFWFLSA-N 1 3 348.491 2.232 10 0 EEAEHO CN(C)Cc1cccc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000871674157 1197825825 /nfs/dbraw/zinc/82/58/25/1197825825.db2.gz SQZQULAFZCTEDE-OCCSQVGLSA-N 1 3 344.381 2.349 10 0 EEAEHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccccc1N(C)C ZINC001410436399 1197889891 /nfs/dbraw/zinc/88/98/91/1197889891.db2.gz NKCZCULEKZOJBB-DLBZAZTESA-N 1 3 346.519 2.031 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C[C@H]1C ZINC001410849909 1198500366 /nfs/dbraw/zinc/50/03/66/1198500366.db2.gz LNSRZOFYTRYXMY-NVXWUHKLSA-N 1 3 349.523 2.057 10 0 EEAEHO CC1(C)CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NC/C=C\Cl ZINC001411027879 1198707623 /nfs/dbraw/zinc/70/76/23/1198707623.db2.gz VQOQAARRYBVPKS-DDJMYBDESA-N 1 3 327.900 2.442 10 0 EEAEHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810194520 1199347599 /nfs/dbraw/zinc/34/75/99/1199347599.db2.gz DJVYGKGQSKYDLR-RKVPGOIHSA-N 1 3 327.488 2.436 10 0 EEAEHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810194520 1199347604 /nfs/dbraw/zinc/34/76/04/1199347604.db2.gz DJVYGKGQSKYDLR-RKVPGOIHSA-N 1 3 327.488 2.436 10 0 EEAEHO Cc1ccc(CN2CCO[C@@H](CNC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000866557609 1201547491 /nfs/dbraw/zinc/54/74/91/1201547491.db2.gz BSFWDTSTKBVLCT-NRFANRHFSA-N 1 3 343.515 2.412 10 0 EEAEHO CC(C)c1cccc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866712036 1201586985 /nfs/dbraw/zinc/58/69/85/1201586985.db2.gz QAUZPNPBARZOQD-KURKYZTESA-N 1 3 329.444 2.177 10 0 EEAEHO CC(C)N1CCN(CCC[N@H+](C)CCc2ccc3c(c2)OCO3)CC1 ZINC000887095188 1204200500 /nfs/dbraw/zinc/20/05/00/1204200500.db2.gz ASKRNVKTJOVBCI-UHFFFAOYSA-N 1 3 347.503 2.306 10 0 EEAEHO CC(C)N1CCN(CCC[N@@H+](C)CCc2ccc3c(c2)OCO3)CC1 ZINC000887095188 1204200502 /nfs/dbraw/zinc/20/05/02/1204200502.db2.gz ASKRNVKTJOVBCI-UHFFFAOYSA-N 1 3 347.503 2.306 10 0 EEAEHO Cc1ncccc1CNC/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001274028036 1204333542 /nfs/dbraw/zinc/33/35/42/1204333542.db2.gz ZHXCJWXRZUJKJR-WRFKIARRSA-N 1 3 330.476 2.025 10 0 EEAEHO Cc1ncccc1CNC/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001274028036 1204333545 /nfs/dbraw/zinc/33/35/45/1204333545.db2.gz ZHXCJWXRZUJKJR-WRFKIARRSA-N 1 3 330.476 2.025 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC/C=C/C[NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001274367666 1205011541 /nfs/dbraw/zinc/01/15/41/1205011541.db2.gz DNMSINXQGUASBT-REUDQUMMSA-N 1 3 343.462 2.416 10 0 EEAEHO CC1CCN(CC(=O)NC/C=C/C[NH2+]CCc2ccccc2)CC1 ZINC001274464069 1205048395 /nfs/dbraw/zinc/04/83/95/1205048395.db2.gz KDFAJMOGUPEBDB-AATRIKPKSA-N 1 3 329.488 2.223 10 0 EEAEHO CCCCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H](CC)N(C)C)CCO2 ZINC001274863392 1205191526 /nfs/dbraw/zinc/19/15/26/1205191526.db2.gz VOJUBKTZLUHTIK-QGZVFWFLSA-N 1 3 339.524 2.210 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH2+]CCc1ccc(Cl)cc1 ZINC001275002133 1205232054 /nfs/dbraw/zinc/23/20/54/1205232054.db2.gz YSNBWUIDSWEDFU-GFCCVEGCSA-N 1 3 334.851 2.251 10 0 EEAEHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)c2)nn1 ZINC000925722372 1206146449 /nfs/dbraw/zinc/14/64/49/1206146449.db2.gz LKUVUMUSYMNLJO-GVDBMIGSSA-N 1 3 341.459 2.021 10 0 EEAEHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1sccc1Br ZINC000925762793 1206151833 /nfs/dbraw/zinc/15/18/33/1206151833.db2.gz OIORPXBJNMYHKP-HOSYDEDBSA-N 1 3 333.295 2.395 10 0 EEAEHO CCOc1ccccc1[C@H](C)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858960 1206162138 /nfs/dbraw/zinc/16/21/38/1206162138.db2.gz XBEMKEGQEXAHIB-LSDHHAIUSA-N 1 3 332.444 2.421 10 0 EEAEHO CN1CCOC[C@H]1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926759587 1206241570 /nfs/dbraw/zinc/24/15/70/1206241570.db2.gz HDJRNVUWALQVIC-OTYNDTSQSA-N 1 3 343.515 2.492 10 0 EEAEHO CN1CCOC[C@H]1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926759587 1206241572 /nfs/dbraw/zinc/24/15/72/1206241572.db2.gz HDJRNVUWALQVIC-OTYNDTSQSA-N 1 3 343.515 2.492 10 0 EEAEHO CN(C[C@H](O)CC[C@@H](O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930461138 1206559857 /nfs/dbraw/zinc/55/98/57/1206559857.db2.gz UVDZHLPRDDHSFL-LMWLFIIJSA-N 1 3 332.488 2.418 10 0 EEAEHO CN(C[C@H](O)CC[C@@H](O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930461138 1206559858 /nfs/dbraw/zinc/55/98/58/1206559858.db2.gz UVDZHLPRDDHSFL-LMWLFIIJSA-N 1 3 332.488 2.418 10 0 EEAEHO CCN1CCC([N@@H+]2CCCN(Cc3cc(C)nnc3C)CC2)CC1 ZINC000930751067 1206580058 /nfs/dbraw/zinc/58/00/58/1206580058.db2.gz KZBNVDKSCSWFFG-UHFFFAOYSA-N 1 3 331.508 2.085 10 0 EEAEHO CCN1CCC([N@H+]2CCCN(Cc3cc(C)nnc3C)CC2)CC1 ZINC000930751067 1206580059 /nfs/dbraw/zinc/58/00/59/1206580059.db2.gz KZBNVDKSCSWFFG-UHFFFAOYSA-N 1 3 331.508 2.085 10 0 EEAEHO CC[NH+]1CCC(N2CCCN(Cc3cc(C)nnc3C)CC2)CC1 ZINC000930751067 1206580060 /nfs/dbraw/zinc/58/00/60/1206580060.db2.gz KZBNVDKSCSWFFG-UHFFFAOYSA-N 1 3 331.508 2.085 10 0 EEAEHO CN(C)C(=O)CCN1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931215511 1206616547 /nfs/dbraw/zinc/61/65/47/1206616547.db2.gz ZKRANEJNLBRMIY-BGYRXZFFSA-N 1 3 329.488 2.309 10 0 EEAEHO CN(C)C(=O)CCN1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931215511 1206616549 /nfs/dbraw/zinc/61/65/49/1206616549.db2.gz ZKRANEJNLBRMIY-BGYRXZFFSA-N 1 3 329.488 2.309 10 0 EEAEHO C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)C[NH+](CCN1CCCC1=O)C2 ZINC000931215425 1206616586 /nfs/dbraw/zinc/61/65/86/1206616586.db2.gz XJRPQNCLPUSRTM-NHCUHLMSSA-N 1 3 341.499 2.453 10 0 EEAEHO CN1C[C@H](CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1=O ZINC000723534418 1230590471 /nfs/dbraw/zinc/59/04/71/1230590471.db2.gz ACBOHKJEVDQAOQ-FYQPLNBISA-N 1 3 341.499 2.498 10 0 EEAEHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000903491087 1240647515 /nfs/dbraw/zinc/64/75/15/1240647515.db2.gz UVUGAYYVFQWIFC-SOUVJXGZSA-N 1 3 346.368 2.284 10 0 EEAEHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000903491087 1240647522 /nfs/dbraw/zinc/64/75/22/1240647522.db2.gz UVUGAYYVFQWIFC-SOUVJXGZSA-N 1 3 346.368 2.284 10 0 EEAEHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000903564964 1240956979 /nfs/dbraw/zinc/95/69/79/1240956979.db2.gz ALHFNRBPXFVNGZ-BZSNNMDCSA-N 1 3 345.512 2.329 10 0 EEAEHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000903564964 1240956981 /nfs/dbraw/zinc/95/69/81/1240956981.db2.gz ALHFNRBPXFVNGZ-BZSNNMDCSA-N 1 3 345.512 2.329 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN(C)CCCOc2ccc(F)cc2)cnn1C ZINC000903886720 1242327324 /nfs/dbraw/zinc/32/73/24/1242327324.db2.gz VERJSJDTJKQXST-MRXNPFEDSA-N 1 3 348.466 2.386 10 0 EEAEHO Cc1c(C[C@H](CN)C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)cnn1C ZINC000903892545 1242359483 /nfs/dbraw/zinc/35/94/83/1242359483.db2.gz JOMGSAYUELRTPK-WMLDXEAASA-N 1 3 330.476 2.115 10 0 EEAEHO Cc1c(C[C@H](CN)C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)cnn1C ZINC000903892545 1242359487 /nfs/dbraw/zinc/35/94/87/1242359487.db2.gz JOMGSAYUELRTPK-WMLDXEAASA-N 1 3 330.476 2.115 10 0 EEAEHO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)C[C@H](CN)Cc1cnn(C)c1C ZINC000903898861 1242395040 /nfs/dbraw/zinc/39/50/40/1242395040.db2.gz OSSNXUZLGRSWFZ-CGTJXYLNSA-N 1 3 336.524 2.371 10 0 EEAEHO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)C[C@H](CN)Cc1cnn(C)c1C ZINC000903898861 1242395053 /nfs/dbraw/zinc/39/50/53/1242395053.db2.gz OSSNXUZLGRSWFZ-CGTJXYLNSA-N 1 3 336.524 2.371 10 0 EEAEHO CCC1(CC)[C@H](OC)C[C@H]1N(C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903898861 1242395069 /nfs/dbraw/zinc/39/50/69/1242395069.db2.gz OSSNXUZLGRSWFZ-CGTJXYLNSA-N 1 3 336.524 2.371 10 0 EEAEHO Cc1c(C[C@H](CN)C[NH2+]C[C@H](c2cccnc2)C(C)C)cnn1C ZINC000903922739 1242514404 /nfs/dbraw/zinc/51/44/04/1242514404.db2.gz DDULNCGVAJJUPX-APWZRJJASA-N 1 3 329.492 2.270 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CN(Cc2ccc(C)nc2)CC2CC2)cnn1C ZINC000903932265 1242553339 /nfs/dbraw/zinc/55/33/39/1242553339.db2.gz PZGCRTMZIQEWEL-IBGZPJMESA-N 1 3 341.503 2.462 10 0 EEAEHO C[NH+](C)CC1(C(=O)N2CCCC[C@H]2CNCCF)CCCCC1 ZINC001491258036 1258855919 /nfs/dbraw/zinc/85/59/19/1258855919.db2.gz HJMZPVXQHCZNSH-INIZCTEOSA-N 1 3 327.488 2.439 10 0 EEAEHO C[C@H](NC1CCC(NC(=O)CCCC[NH+](C)C)CC1)c1cnccn1 ZINC001491371174 1259012402 /nfs/dbraw/zinc/01/24/02/1259012402.db2.gz ORPLWSQONXGRBA-GTPINHCMSA-N 1 3 347.507 2.287 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1C ZINC001489276946 1290502101 /nfs/dbraw/zinc/50/21/01/1290502101.db2.gz XJRCNWAXTJCEAM-SQNIBIBYSA-N 1 3 339.524 2.112 10 0 EEAEHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1C ZINC001489276946 1290502104 /nfs/dbraw/zinc/50/21/04/1290502104.db2.gz XJRCNWAXTJCEAM-SQNIBIBYSA-N 1 3 339.524 2.112 10 0 EEAEHO CN(CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)Cc1cccnc1 ZINC001490208298 1291001561 /nfs/dbraw/zinc/00/15/61/1291001561.db2.gz UBPQCRBXZJPBRS-LJQANCHMSA-N 1 3 344.503 2.427 10 0 EEAEHO CN(CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)Cc1cccnc1 ZINC001490208298 1291001572 /nfs/dbraw/zinc/00/15/72/1291001572.db2.gz UBPQCRBXZJPBRS-LJQANCHMSA-N 1 3 344.503 2.427 10 0 EEAEHO Cc1cncc(CN(CCCNC(=O)C[N@H+]2CC[C@H](C)C2)C2CC2)c1 ZINC001490385144 1291270727 /nfs/dbraw/zinc/27/07/27/1291270727.db2.gz GWZJZHGAOHNLLI-INIZCTEOSA-N 1 3 344.503 2.203 10 0 EEAEHO Cc1cncc(CN(CCCNC(=O)C[N@@H+]2CC[C@H](C)C2)C2CC2)c1 ZINC001490385144 1291270734 /nfs/dbraw/zinc/27/07/34/1291270734.db2.gz GWZJZHGAOHNLLI-INIZCTEOSA-N 1 3 344.503 2.203 10 0 EEAEHO CCOC(=O)C1=CC[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000863544534 1296327435 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EEAEHO Cc1ncccc1CN(C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001316836238 1331923520 /nfs/dbraw/zinc/92/35/20/1331923520.db2.gz VDENYBAUUZGZPY-OALUTQOASA-N 1 3 344.503 2.345 10 0 EEAEHO COc1ccc(C[N@H+](C)CCCNC(=O)CN2CC[C@H](C)C2)cc1C ZINC001316851063 1331934727 /nfs/dbraw/zinc/93/47/27/1331934727.db2.gz PFKVUOAFFCGNFF-INIZCTEOSA-N 1 3 347.503 2.284 10 0 EEAEHO COc1ccc(C[N@@H+](C)CCCNC(=O)CN2CC[C@H](C)C2)cc1C ZINC001316851063 1331934730 /nfs/dbraw/zinc/93/47/30/1331934730.db2.gz PFKVUOAFFCGNFF-INIZCTEOSA-N 1 3 347.503 2.284 10 0 EEAEHO CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(CCOCC)CC1 ZINC001317007509 1332042231 /nfs/dbraw/zinc/04/22/31/1332042231.db2.gz VJUCUMCNDXHGQS-SJLPKXTDSA-N 1 3 339.524 2.066 10 0 EEAEHO CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(CCOCC)CC1 ZINC001317007509 1332042236 /nfs/dbraw/zinc/04/22/36/1332042236.db2.gz VJUCUMCNDXHGQS-SJLPKXTDSA-N 1 3 339.524 2.066 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+]CCCc2ccsc2)C1 ZINC001317159545 1332104973 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Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)CN(C)C(C)C)s1 ZINC001320644298 1332927667 /nfs/dbraw/zinc/92/76/67/1332927667.db2.gz KIFLSHSRPOQTIW-LBPRGKRZSA-N 1 3 326.510 2.085 10 0 EEAEHO CCN(CCNCc1cncc(F)c1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001320734328 1332942466 /nfs/dbraw/zinc/94/24/66/1332942466.db2.gz HOYXZNWVNGYDJW-KRWDZBQOSA-N 1 3 336.455 2.032 10 0 EEAEHO CCN(CCNCc1cncc(F)c1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001320734328 1332942467 /nfs/dbraw/zinc/94/24/67/1332942467.db2.gz HOYXZNWVNGYDJW-KRWDZBQOSA-N 1 3 336.455 2.032 10 0 EEAEHO CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccc2ncccc2c1)N(C)C ZINC001321253888 1333056539 /nfs/dbraw/zinc/05/65/39/1333056539.db2.gz YCZLHJQDBGHZTI-VOFKWLDRSA-N 1 3 340.471 2.337 10 0 EEAEHO CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)C1 ZINC001326816220 1334163788 /nfs/dbraw/zinc/16/37/88/1334163788.db2.gz FWBYRIDYGHNGAM-ZFWWWQNUSA-N 1 3 338.883 2.281 10 0 EEAEHO CC[N@H+]1CCC[C@@H](CNC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)C1 ZINC001326816220 1334163793 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EEAEHO Cc1nocc1CNCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001668118026 1355876134 /nfs/dbraw/zinc/87/61/34/1355876134.db2.gz PPRBCSUQBMCOPO-RHSMWYFYSA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1ncccc1CNC/C=C/CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001669074967 1356084734 /nfs/dbraw/zinc/08/47/34/1356084734.db2.gz HPJAYUQBBQIDER-DUMMIQTOSA-N 1 3 344.503 2.417 10 0 EEAEHO CCC1([NH2+]CCOC(C)C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001673614393 1356718081 /nfs/dbraw/zinc/71/80/81/1356718081.db2.gz XIJAQTRRILFVPE-QGZVFWFLSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H](C[NH2+]CCc1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCCN1C ZINC001698842067 1405102960 /nfs/dbraw/zinc/10/29/60/1405102960.db2.gz QWUWZKDPENMNKO-PBHICJAKSA-N 1 3 337.895 2.413 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711276705 788583761 /nfs/dbraw/zinc/58/37/61/788583761.db2.gz BQSJLOYXFUNUNF-AEFFLSMTSA-N 1 3 329.488 2.355 10 0 EEAEHO CCCOCc1ccccc1CNC(=O)CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495261 789652954 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ZINC000178733303 277395393 /nfs/dbraw/zinc/39/53/93/277395393.db2.gz RVOIWYVXNXZVOO-QGZVFWFLSA-N 1 3 336.524 2.234 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCCN(C3CC3)CC2)C1 ZINC000178733303 277395394 /nfs/dbraw/zinc/39/53/94/277395394.db2.gz RVOIWYVXNXZVOO-QGZVFWFLSA-N 1 3 336.524 2.234 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)N(C)C)cc1 ZINC000416840724 313331635 /nfs/dbraw/zinc/33/16/35/313331635.db2.gz LFPFMWULNCRSBU-QGTPRVQTSA-N 1 3 332.492 2.149 10 0 EEAEHO [NH3+]C[C@@H](NC(=O)N[C@H]1CNCCC1(F)F)c1ccc2ccccc2c1 ZINC000418501854 313831453 /nfs/dbraw/zinc/83/14/53/313831453.db2.gz SVMSMXATYKNGEE-CVEARBPZSA-N 1 3 348.397 2.136 10 0 EEAEHO Cc1ccc(CC[C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)o1 ZINC000525306579 317055360 /nfs/dbraw/zinc/05/53/60/317055360.db2.gz FPEBVKPUONGUKI-OAHLLOKOSA-N 1 3 338.496 2.044 10 0 EEAEHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000527815286 317268814 /nfs/dbraw/zinc/26/88/14/317268814.db2.gz CEXGDJAVPPVIRU-FUHWJXTLSA-N 1 3 336.524 2.280 10 0 EEAEHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000527815286 317268819 /nfs/dbraw/zinc/26/88/19/317268819.db2.gz CEXGDJAVPPVIRU-FUHWJXTLSA-N 1 3 336.524 2.280 10 0 EEAEHO Cc1cc(NC(=O)N(C)CCN2CCCC2)n(C2CC[NH+](C)CC2)n1 ZINC000530950885 317760008 /nfs/dbraw/zinc/76/00/08/317760008.db2.gz ZLNCXEUXOLJETE-UHFFFAOYSA-N 1 3 348.495 2.018 10 0 EEAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCN(C)c2ccncc2)C1 ZINC000542787526 318140568 /nfs/dbraw/zinc/14/05/68/318140568.db2.gz GHBDVSAMFBFNMI-IAGOWNOFSA-N 1 3 332.492 2.392 10 0 EEAEHO COc1ccc(CN2CCC(C[NH2+]C[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000564847980 319117738 /nfs/dbraw/zinc/11/77/38/319117738.db2.gz RSZVLVLYOOCULO-MRXNPFEDSA-N 1 3 346.393 2.420 10 0 EEAEHO CC(C)C[C@@H](CNC(=O)c1ccccc1OCCN(C)C)[NH+](C)C ZINC000114378036 462640966 /nfs/dbraw/zinc/64/09/66/462640966.db2.gz ORNCCNVGZNSERJ-INIZCTEOSA-N 1 3 335.492 2.333 10 0 EEAEHO COc1ccc(OC)c(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000105862374 463480414 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C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000179121467 464060444 /nfs/dbraw/zinc/06/04/44/464060444.db2.gz UOUWJQSNVVSJHX-BHIYHBOVSA-N 1 3 344.503 2.463 10 0 EEAEHO CCCN1CCC([NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000189053579 464423674 /nfs/dbraw/zinc/42/36/74/464423674.db2.gz CHULIEZROKHDRX-GOSISDBHSA-N 1 3 333.451 2.391 10 0 EEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000245661789 464502679 /nfs/dbraw/zinc/50/26/79/464502679.db2.gz PYJGGCITLATSMC-XGXHKWSGSA-N 1 3 344.503 2.460 10 0 EEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000245661789 464502681 /nfs/dbraw/zinc/50/26/81/464502681.db2.gz PYJGGCITLATSMC-XGXHKWSGSA-N 1 3 344.503 2.460 10 0 EEAEHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000246576097 464602614 /nfs/dbraw/zinc/60/26/14/464602614.db2.gz RVLZYYNPUGYZEO-KCITZHQASA-N 1 3 348.535 2.373 10 0 EEAEHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000246576097 464602622 /nfs/dbraw/zinc/60/26/22/464602622.db2.gz RVLZYYNPUGYZEO-KCITZHQASA-N 1 3 348.535 2.373 10 0 EEAEHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCCSC2)cc1 ZINC000183608141 464885616 /nfs/dbraw/zinc/88/56/16/464885616.db2.gz UCTZTUOMUBMQJL-GOSISDBHSA-N 1 3 347.528 2.497 10 0 EEAEHO C[C@@H]1C[C@H]1N1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000358187660 466523339 /nfs/dbraw/zinc/52/33/39/466523339.db2.gz ZPACHXDTTUCEEO-CVYSASLGSA-N 1 3 341.499 2.496 10 0 EEAEHO C[C@@H]1C[C@H]1N1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000358187660 466523344 /nfs/dbraw/zinc/52/33/44/466523344.db2.gz ZPACHXDTTUCEEO-CVYSASLGSA-N 1 3 341.499 2.496 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417528765 466876972 /nfs/dbraw/zinc/87/69/72/466876972.db2.gz FPBQEHMDNHFWNB-HDICACEKSA-N 1 3 346.519 2.462 10 0 EEAEHO CC[C@H]1CCCCN1CCNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417699437 466912595 /nfs/dbraw/zinc/91/25/95/466912595.db2.gz KGPYMBVBAIITRI-IBGZPJMESA-N 1 3 346.519 2.464 10 0 EEAEHO CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000417742150 466921582 /nfs/dbraw/zinc/92/15/82/466921582.db2.gz VTECXIUOWRDLCW-IJEWVQPXSA-N 1 3 338.521 2.428 10 0 EEAEHO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418040690 467031934 /nfs/dbraw/zinc/03/19/34/467031934.db2.gz JIZBQCUBXJVOJG-UYAOXDASSA-N 1 3 344.503 2.435 10 0 EEAEHO COC[C@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000452102728 467323658 /nfs/dbraw/zinc/32/36/58/467323658.db2.gz LBDBRWJGFOYCOY-PKOBYXMFSA-N 1 3 347.503 2.154 10 0 EEAEHO NCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000415117491 467494119 /nfs/dbraw/zinc/49/41/19/467494119.db2.gz VMNYOHFXPZLOIJ-NSHDSACASA-N 1 3 330.259 2.280 10 0 EEAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](O)C2CCOCC2)CC1 ZINC000449156015 467621353 /nfs/dbraw/zinc/62/13/53/467621353.db2.gz REDZHAXJTSTSGZ-DYESRHJHSA-N 1 3 346.515 2.459 10 0 EEAEHO CC(C)N(C(=O)[C@@H](C)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C(C)C ZINC000530241882 467967031 /nfs/dbraw/zinc/96/70/31/467967031.db2.gz RMBWJDYNNIKCEW-SJLPKXTDSA-N 1 3 339.524 2.111 10 0 EEAEHO COC(=O)c1ccc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)[nH]1 ZINC000592525681 468721254 /nfs/dbraw/zinc/72/12/54/468721254.db2.gz QXEQURBLLDFGLV-WBVHZDCISA-N 1 3 327.428 2.236 10 0 EEAEHO C[C@]1(CNC(=O)NC[C@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000561203444 468876080 /nfs/dbraw/zinc/87/60/80/468876080.db2.gz ZLFHUXPUGHJFRY-IEBWSBKVSA-N 1 3 330.476 2.092 10 0 EEAEHO CC(C)OC[C@H](O)C[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000584715774 468919479 /nfs/dbraw/zinc/91/94/79/468919479.db2.gz BBDUDDBIPUJDGX-QGZVFWFLSA-N 1 3 336.476 2.035 10 0 EEAEHO CN(Cc1ccccc1)C[C@@H](O)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000595716177 468966178 /nfs/dbraw/zinc/96/61/78/468966178.db2.gz NPYQRDLCODNRLU-VQTJNVASSA-N 1 3 331.504 2.040 10 0 EEAEHO CC[N@@H+]1CC[C@H](NC[C@@H](Cc2ccc(F)cc2C)C(=O)NC)[C@H](C)C1 ZINC000563127520 469177602 /nfs/dbraw/zinc/17/76/02/469177602.db2.gz YGHLUXDHFNESGV-SUMDDJOVSA-N 1 3 349.494 2.359 10 0 EEAEHO CC[N@H+]1CC[C@H](NC[C@@H](Cc2ccc(F)cc2C)C(=O)NC)[C@H](C)C1 ZINC000563127520 469177605 /nfs/dbraw/zinc/17/76/05/469177605.db2.gz YGHLUXDHFNESGV-SUMDDJOVSA-N 1 3 349.494 2.359 10 0 EEAEHO Cc1ccc([C@H](C[NH2+][C@H]2CCN(C)C(C)(C)C2)N2CCOCC2)o1 ZINC000623344578 469630892 /nfs/dbraw/zinc/63/08/92/469630892.db2.gz ULYQUZJPXBBMSC-IRXDYDNUSA-N 1 3 335.492 2.424 10 0 EEAEHO CCC(=O)Nc1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000617505234 469702987 /nfs/dbraw/zinc/70/29/87/469702987.db2.gz YNISYLPKMUUYLN-HNNXBMFYSA-N 1 3 348.491 2.037 10 0 EEAEHO CCC(=O)Nc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000617505234 469702991 /nfs/dbraw/zinc/70/29/91/469702991.db2.gz YNISYLPKMUUYLN-HNNXBMFYSA-N 1 3 348.491 2.037 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1ccc(F)cc1 ZINC000617505656 469703738 /nfs/dbraw/zinc/70/37/38/469703738.db2.gz LUOVWIYNNGMQFQ-HNNXBMFYSA-N 1 3 337.483 2.492 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1ccc(F)cc1 ZINC000617505656 469703744 /nfs/dbraw/zinc/70/37/44/469703744.db2.gz LUOVWIYNNGMQFQ-HNNXBMFYSA-N 1 3 337.483 2.492 10 0 EEAEHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000617701738 469765700 /nfs/dbraw/zinc/76/57/00/469765700.db2.gz APCVBDPBLYCKHN-CRAIPNDOSA-N 1 3 347.503 2.036 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C[NH2+]1 ZINC000627017021 469791574 /nfs/dbraw/zinc/79/15/74/469791574.db2.gz YGEUPXXRZWOLJO-IMFGXOCKSA-N 1 3 344.503 2.481 10 0 EEAEHO C[C@H]1[C@@H](NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CCN1Cc1ccccc1 ZINC000627039027 469798728 /nfs/dbraw/zinc/79/87/28/469798728.db2.gz QZNYISDDPHANBN-FZCLSBEQSA-N 1 3 330.476 2.089 10 0 EEAEHO CC(C)[C@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)N1CCCCC1 ZINC000620966698 469962512 /nfs/dbraw/zinc/96/25/12/469962512.db2.gz LRHKVVHVEDTBLJ-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1ncc(C[NH2+]CCCN2CCN(C)C[C@H]2c2ccccc2)o1 ZINC000628202345 470074888 /nfs/dbraw/zinc/07/48/88/470074888.db2.gz PUMMCAVKOKCBKG-IBGZPJMESA-N 1 3 328.460 2.451 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000645904572 470456008 /nfs/dbraw/zinc/45/60/08/470456008.db2.gz ADTLECDTLWJDOR-BRSBDYLESA-N 1 3 336.524 2.233 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000645904572 470456009 /nfs/dbraw/zinc/45/60/09/470456009.db2.gz ADTLECDTLWJDOR-BRSBDYLESA-N 1 3 336.524 2.233 10 0 EEAEHO C[NH+](C)CCOc1ccc(CCNCc2cc3n(n2)CCC3)cc1 ZINC000657351719 471108655 /nfs/dbraw/zinc/10/86/55/471108655.db2.gz SPCLDLGKBBHQQT-UHFFFAOYSA-N 1 3 328.460 2.102 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000654827447 471194106 /nfs/dbraw/zinc/19/41/06/471194106.db2.gz FIPUMUDXUPIJOW-NZSAHSFTSA-N 1 3 329.488 2.450 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000654827447 471194107 /nfs/dbraw/zinc/19/41/07/471194107.db2.gz FIPUMUDXUPIJOW-NZSAHSFTSA-N 1 3 329.488 2.450 10 0 EEAEHO C[C@H]1CN(C(=O)N[C@H]2CCCN(C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000652418143 471288761 /nfs/dbraw/zinc/28/87/61/471288761.db2.gz UDJYKOLCXXKFGG-MJGOQNOKSA-N 1 3 344.503 2.244 10 0 EEAEHO C[C@H]1CN(C(=O)N[C@H]2CCCN(C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000652418143 471288763 /nfs/dbraw/zinc/28/87/63/471288763.db2.gz UDJYKOLCXXKFGG-MJGOQNOKSA-N 1 3 344.503 2.244 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccccc1Cl ZINC000663407024 471362602 /nfs/dbraw/zinc/36/26/02/471362602.db2.gz RVCWNOOBGISBKP-AWEZNQCLSA-N 1 3 340.899 2.411 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccccc1Cl ZINC000663407024 471362604 /nfs/dbraw/zinc/36/26/04/471362604.db2.gz RVCWNOOBGISBKP-AWEZNQCLSA-N 1 3 340.899 2.411 10 0 EEAEHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000659033219 471476188 /nfs/dbraw/zinc/47/61/88/471476188.db2.gz VDXADIDLKLEYCF-ROUUACIJSA-N 1 3 344.459 2.050 10 0 EEAEHO CCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1CCCc2cccnc21 ZINC000666705266 471501262 /nfs/dbraw/zinc/50/12/62/471501262.db2.gz WAHMLAVCPHUSKS-FUHWJXTLSA-N 1 3 344.503 2.368 10 0 EEAEHO CCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1CCCc2cccnc21 ZINC000666705266 471501266 /nfs/dbraw/zinc/50/12/66/471501266.db2.gz WAHMLAVCPHUSKS-FUHWJXTLSA-N 1 3 344.503 2.368 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CN[C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)C1 ZINC000656126969 471598870 /nfs/dbraw/zinc/59/88/70/471598870.db2.gz FILULFHEKDRDIE-CFVMTHIKSA-N 1 3 343.393 2.032 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cc(F)ccc1F ZINC000664007498 471607539 /nfs/dbraw/zinc/60/75/39/471607539.db2.gz OXVZLWZVFDLZRF-ZDUSSCGKSA-N 1 3 342.434 2.036 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cc(F)ccc1F ZINC000664007498 471607544 /nfs/dbraw/zinc/60/75/44/471607544.db2.gz OXVZLWZVFDLZRF-ZDUSSCGKSA-N 1 3 342.434 2.036 10 0 EEAEHO CC(C)N(CCN(C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659578188 471684910 /nfs/dbraw/zinc/68/49/10/471684910.db2.gz CVXGLLWMKZNMCM-QZTJIDSGSA-N 1 3 332.492 2.114 10 0 EEAEHO Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1C(C)C ZINC000667272724 471718312 /nfs/dbraw/zinc/71/83/12/471718312.db2.gz WBQAMEXZCLJLNJ-AWEZNQCLSA-N 1 3 338.500 2.166 10 0 EEAEHO Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1C(C)C ZINC000667272724 471718317 /nfs/dbraw/zinc/71/83/17/471718317.db2.gz WBQAMEXZCLJLNJ-AWEZNQCLSA-N 1 3 338.500 2.166 10 0 EEAEHO CCN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CCN(C)C1 ZINC000664727395 471845316 /nfs/dbraw/zinc/84/53/16/471845316.db2.gz HLJCQTKIXVYHDN-SFHVURJKSA-N 1 3 332.492 2.026 10 0 EEAEHO CC[C@H](CNC(=O)N(C)CC1CN(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000660324070 471944554 /nfs/dbraw/zinc/94/45/54/471944554.db2.gz YMCUZTVKOMDMIE-LJQANCHMSA-N 1 3 344.503 2.026 10 0 EEAEHO CC[C@H](CNC(=O)N(C)CC1CN(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000660324070 471944559 /nfs/dbraw/zinc/94/45/59/471944559.db2.gz YMCUZTVKOMDMIE-LJQANCHMSA-N 1 3 344.503 2.026 10 0 EEAEHO CCc1cccnc1[C@H](C)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665287262 471990210 /nfs/dbraw/zinc/99/02/10/471990210.db2.gz GOZPLFAUWRNUQB-HNNXBMFYSA-N 1 3 332.492 2.285 10 0 EEAEHO c1cc2c(cc1[C@H]1CCCN1C[C@@H]1CCC3(C[NH2+]C3)O1)OCCO2 ZINC000662248826 472041750 /nfs/dbraw/zinc/04/17/50/472041750.db2.gz JZTZYWSSALFZBK-JKSUJKDBSA-N 1 3 330.428 2.116 10 0 EEAEHO COc1ccc([C@@H]2CCCN2C[C@H]2CCC3(C[NH2+]C3)O2)cc1OC ZINC000662249371 472041777 /nfs/dbraw/zinc/04/17/77/472041777.db2.gz ULWRTAYNZBGQDX-CVEARBPZSA-N 1 3 332.444 2.362 10 0 EEAEHO CCC[C@@H]1CN(Cc2cccc3c2CC[NH2+]C3)CCN1CCOC ZINC000662281164 472054940 /nfs/dbraw/zinc/05/49/40/472054940.db2.gz UHBJKCUCMDDRAD-LJQANCHMSA-N 1 3 331.504 2.265 10 0 EEAEHO CCN(Cc1occc1C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665764136 472177217 /nfs/dbraw/zinc/17/72/17/472177217.db2.gz VYAFXNNUEOZKCM-INIZCTEOSA-N 1 3 338.496 2.392 10 0 EEAEHO CCN(Cc1occc1C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665764136 472177219 /nfs/dbraw/zinc/17/72/19/472177219.db2.gz VYAFXNNUEOZKCM-INIZCTEOSA-N 1 3 338.496 2.392 10 0 EEAEHO CCC[NH+]1CCC(N(C)C[C@H](O)CN(C)Cc2ccccc2)CC1 ZINC000674048095 485623872 /nfs/dbraw/zinc/62/38/72/485623872.db2.gz ZAQHNBBTBRTKHN-HXUWFJFHSA-N 1 3 333.520 2.286 10 0 EEAEHO CN(C)CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000678343457 486620078 /nfs/dbraw/zinc/62/00/78/486620078.db2.gz IUKLLIYAODCSPF-PKOBYXMFSA-N 1 3 345.487 2.118 10 0 EEAEHO CN(C)CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000678343457 486620083 /nfs/dbraw/zinc/62/00/83/486620083.db2.gz IUKLLIYAODCSPF-PKOBYXMFSA-N 1 3 345.487 2.118 10 0 EEAEHO CNCc1cc(Br)cnc1N1CCC([NH+](C)C)CC1 ZINC000051444844 536469175 /nfs/dbraw/zinc/46/91/75/536469175.db2.gz PLNQTBQJIRDVIU-UHFFFAOYSA-N 1 3 327.270 2.094 10 0 EEAEHO CCN1CCC[C@@H]1CNC(=S)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000741492258 578120347 /nfs/dbraw/zinc/12/03/47/578120347.db2.gz QKNTUVQCUHKGCT-OAGGEKHMSA-N 1 3 326.554 2.007 10 0 EEAEHO CCN1CCC[C@@H]1CNC(=S)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000741492258 578120348 /nfs/dbraw/zinc/12/03/48/578120348.db2.gz QKNTUVQCUHKGCT-OAGGEKHMSA-N 1 3 326.554 2.007 10 0 EEAEHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CO[C@@H](C)[C@H]3C)cc2)CC1 ZINC000924693420 693174108 /nfs/dbraw/zinc/17/41/08/693174108.db2.gz ZCPLRDJNNNEVSO-FUHIMQAGSA-N 1 3 331.504 2.337 10 0 EEAEHO C[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](C[NH2+]CCF)C1 ZINC001691370417 1177978864 /nfs/dbraw/zinc/97/88/64/1177978864.db2.gz PRTJQYYKCISHNP-RVKKMQEKSA-N 1 3 345.478 2.385 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001267058722 1178167178 /nfs/dbraw/zinc/16/71/78/1178167178.db2.gz VMXZPCMPLRSZFT-QUCCMNQESA-N 1 3 343.515 2.317 10 0 EEAEHO CN(CCNCc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267468788 1179089470 /nfs/dbraw/zinc/08/94/70/1179089470.db2.gz CPFYRIRMBXGPGD-CYBMUJFWSA-N 1 3 344.286 2.493 10 0 EEAEHO CN(CCNCc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267468788 1179089478 /nfs/dbraw/zinc/08/94/78/1179089478.db2.gz CPFYRIRMBXGPGD-CYBMUJFWSA-N 1 3 344.286 2.493 10 0 EEAEHO Cc1nocc1C[NH2+][C@@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001481343359 1181076696 /nfs/dbraw/zinc/07/66/96/1181076696.db2.gz NDIODFSXUREJIK-AWEZNQCLSA-N 1 3 336.480 2.040 10 0 EEAEHO O=C(CN1CCCC1)N1CCCC[C@H]1CC[NH2+]Cc1ccccn1 ZINC001268166773 1181907161 /nfs/dbraw/zinc/90/71/61/1181907161.db2.gz UWIWSTOZUCBMFN-SFHVURJKSA-N 1 3 330.476 2.038 10 0 EEAEHO COCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001268178608 1181961097 /nfs/dbraw/zinc/96/10/97/1181961097.db2.gz GCSDCDAMJLSORN-LPHOPBHVSA-N 1 3 347.503 2.225 10 0 EEAEHO C[C@H](CC[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)C1(N(C)C)CCC1 ZINC001268369313 1182357747 /nfs/dbraw/zinc/35/77/47/1182357747.db2.gz VEPCWTUYZTVMOE-ZIAGYGMSSA-N 1 3 331.451 2.391 10 0 EEAEHO C[C@H](CCNCc1cc(F)ccc1F)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268414191 1182567357 /nfs/dbraw/zinc/56/73/57/1182567357.db2.gz JTOPPWZXMKNXRQ-ZIAGYGMSSA-N 1 3 339.430 2.291 10 0 EEAEHO C[C@H](CCNCc1cc(F)ccc1F)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268414191 1182567360 /nfs/dbraw/zinc/56/73/60/1182567360.db2.gz JTOPPWZXMKNXRQ-ZIAGYGMSSA-N 1 3 339.430 2.291 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)CC1)N(C)C ZINC001482021313 1183146109 /nfs/dbraw/zinc/14/61/09/1183146109.db2.gz RSILVWROJJILFL-TVFCKZIOSA-N 1 3 339.524 2.160 10 0 EEAEHO COCCC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001482026519 1183154795 /nfs/dbraw/zinc/15/47/95/1183154795.db2.gz WIWHQFHGECOARF-WGSAOQKQSA-N 1 3 347.503 2.415 10 0 EEAEHO Cc1cccc(CCC[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)c1 ZINC001268576414 1183317826 /nfs/dbraw/zinc/31/78/26/1183317826.db2.gz VRXPEHHSBHOXRD-ZRHASKPBSA-N 1 3 329.488 2.284 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@@H](CNCC=C(Cl)Cl)C1CC1)[NH+](C)C ZINC001269116115 1183973064 /nfs/dbraw/zinc/97/30/64/1183973064.db2.gz PDDBWRLRXDDWBC-GXTWGEPZSA-N 1 3 336.307 2.376 10 0 EEAEHO CCOCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001270340047 1185032119 /nfs/dbraw/zinc/03/21/19/1185032119.db2.gz LZJXEAXTKNAZMI-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001270340047 1185032127 /nfs/dbraw/zinc/03/21/27/1185032127.db2.gz LZJXEAXTKNAZMI-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC001270579801 1185183600 /nfs/dbraw/zinc/18/36/00/1185183600.db2.gz XIDDZUAHSOOFIF-AJHXJQRKSA-N 1 3 326.444 2.316 10 0 EEAEHO CCOCCC[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001482330256 1185413258 /nfs/dbraw/zinc/41/32/58/1185413258.db2.gz HYNYXZIJHHXSKL-YJBOKZPZSA-N 1 3 345.503 2.062 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC1CCOCC1 ZINC001482832074 1187752287 /nfs/dbraw/zinc/75/22/87/1187752287.db2.gz UCERKFIJTDSICB-AEFFLSMTSA-N 1 3 339.524 2.160 10 0 EEAEHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+]Cc1ccc2ncccc2c1 ZINC001483099447 1188477353 /nfs/dbraw/zinc/47/73/53/1188477353.db2.gz YIJCGTVIDZLNCT-PLNGDYQASA-N 1 3 340.471 2.337 10 0 EEAEHO Cc1cccc(C)c1OCC[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001483135622 1188677718 /nfs/dbraw/zinc/67/77/18/1188677718.db2.gz LCZPACBIURMWBS-QGZVFWFLSA-N 1 3 347.503 2.261 10 0 EEAEHO C[C@H](CCNCc1nccn1C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001272872505 1193587323 /nfs/dbraw/zinc/58/73/23/1193587323.db2.gz AOFCFHWZSHFROC-OAHLLOKOSA-N 1 3 349.523 2.058 10 0 EEAEHO C[C@H](CCNCc1nccn1C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001272872505 1193587325 /nfs/dbraw/zinc/58/73/25/1193587325.db2.gz AOFCFHWZSHFROC-OAHLLOKOSA-N 1 3 349.523 2.058 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001409432594 1189665540 /nfs/dbraw/zinc/66/55/40/1189665540.db2.gz MJJQDJDCUGDTJN-HOTGVXAUSA-N 1 3 331.504 2.500 10 0 EEAEHO CN(CCC[NH2+][C@H]1CCc2c1cccc2F)C(=O)[C@H]1CCCN1C ZINC001483484115 1190503418 /nfs/dbraw/zinc/50/34/18/1190503418.db2.gz IWWXLWWHOSHIGG-ZWKOTPCHSA-N 1 3 333.451 2.345 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001484016708 1191157116 /nfs/dbraw/zinc/15/71/16/1191157116.db2.gz RWERNDQAOMLVQP-PMPSAXMXSA-N 1 3 331.451 2.091 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001484016708 1191157117 /nfs/dbraw/zinc/15/71/17/1191157117.db2.gz RWERNDQAOMLVQP-PMPSAXMXSA-N 1 3 331.451 2.091 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCCN(CCC(F)(F)F)C2)CC[N@@H+]1C ZINC001484162297 1191250306 /nfs/dbraw/zinc/25/03/06/1191250306.db2.gz ZFERALFWGRILJP-FMKPAKJESA-N 1 3 349.441 2.497 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCCN(CCC(F)(F)F)C2)CC[N@H+]1C ZINC001484162297 1191250308 /nfs/dbraw/zinc/25/03/08/1191250308.db2.gz ZFERALFWGRILJP-FMKPAKJESA-N 1 3 349.441 2.497 10 0 EEAEHO COC[C@@H](C)[N@H+](C)Cc1ccccc1CNC(=O)C1(N(C)C)CCC1 ZINC001484553526 1191411953 /nfs/dbraw/zinc/41/19/53/1191411953.db2.gz GQJKMCAKGRESGR-MRXNPFEDSA-N 1 3 347.503 2.254 10 0 EEAEHO COC[C@@H](C)[N@@H+](C)Cc1ccccc1CNC(=O)C1(N(C)C)CCC1 ZINC001484553526 1191411954 /nfs/dbraw/zinc/41/19/54/1191411954.db2.gz GQJKMCAKGRESGR-MRXNPFEDSA-N 1 3 347.503 2.254 10 0 EEAEHO CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001484716535 1191480649 /nfs/dbraw/zinc/48/06/49/1191480649.db2.gz LXYVRKHMRSLUFN-QGZVFWFLSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)OCCC[N@H+]1CCC[C@@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001484716535 1191480652 /nfs/dbraw/zinc/48/06/52/1191480652.db2.gz LXYVRKHMRSLUFN-QGZVFWFLSA-N 1 3 339.524 2.257 10 0 EEAEHO CCCCC[NH2+][C@]1(CO)CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001484849722 1191548170 /nfs/dbraw/zinc/54/81/70/1191548170.db2.gz YZWHCBLYVKUWCW-LJQANCHMSA-N 1 3 341.540 2.098 10 0 EEAEHO CC[C@H](C(=O)N1CCC(C)([NH2+]CCC[C@H]2CCOC2)CC1)N(C)C ZINC001484918488 1191574885 /nfs/dbraw/zinc/57/48/85/1191574885.db2.gz JLKUANWPCZUDGM-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO CCOCCC[N@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001485349402 1191750104 /nfs/dbraw/zinc/75/01/04/1191750104.db2.gz FRYSGDIQRJQQDK-CRAIPNDOSA-N 1 3 345.503 2.062 10 0 EEAEHO CCOCCC[N@@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001485349402 1191750105 /nfs/dbraw/zinc/75/01/05/1191750105.db2.gz FRYSGDIQRJQQDK-CRAIPNDOSA-N 1 3 345.503 2.062 10 0 EEAEHO CCOCC[NH2+][C@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CC1(C)C ZINC001486244921 1193771161 /nfs/dbraw/zinc/77/11/61/1193771161.db2.gz PKEDVVPYRUQCEV-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCOc2ccccc2)C(C)(C)C1 ZINC001486246571 1193773105 /nfs/dbraw/zinc/77/31/05/1193773105.db2.gz NFIFCCMCYABUFR-SFHVURJKSA-N 1 3 347.503 2.234 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]Cc1ccncc1Cl ZINC001273203188 1197508189 /nfs/dbraw/zinc/50/81/89/1197508189.db2.gz HTJRGDZJTPQMMY-CYBMUJFWSA-N 1 3 326.872 2.060 10 0 EEAEHO CCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CCO1 ZINC001273261138 1197847677 /nfs/dbraw/zinc/84/76/77/1197847677.db2.gz PXDNJNWQTWNIMM-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO [NH3+][C@H](C[C@H]1CCCN(C[C@H]2CCS(=O)(=O)C2)C1)C1CCCC1 ZINC000872155987 1198062589 /nfs/dbraw/zinc/06/25/89/1198062589.db2.gz BZRNINBQIDZIQK-BFYDXBDKSA-N 1 3 328.522 2.041 10 0 EEAEHO COc1ccc(CN2CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]2C)cc1C ZINC001411068749 1198751919 /nfs/dbraw/zinc/75/19/19/1198751919.db2.gz LWBQFWTXLXSEEX-WMZOPIPTSA-N 1 3 347.503 2.424 10 0 EEAEHO C[NH+](C)CC1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCCC1 ZINC000810677236 1199658097 /nfs/dbraw/zinc/65/80/97/1199658097.db2.gz IXJNLMZTPMTYAZ-SFHVURJKSA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1ccc(C[NH2+]C/C=C/CNC(=O)CN2CC[C@H](C)C2)c(C)c1 ZINC001274369963 1205011928 /nfs/dbraw/zinc/01/19/28/1205011928.db2.gz SRHYOEOETSTYCH-BDUNBXCCSA-N 1 3 329.488 2.407 10 0 EEAEHO Cc1ccc(C[NH2+]C/C=C\CNC(=O)CN2CC[C@H](C)C2)c(C)c1 ZINC001274369964 1205012140 /nfs/dbraw/zinc/01/21/40/1205012140.db2.gz SRHYOEOETSTYCH-CHYADLBTSA-N 1 3 329.488 2.407 10 0 EEAEHO C[C@@H](NCc1cccc(Cl)n1)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001275480081 1205378785 /nfs/dbraw/zinc/37/87/85/1205378785.db2.gz FRGOGWTYNJQYGO-CHWSQXEVSA-N 1 3 338.883 2.060 10 0 EEAEHO CC[C@@H](F)C[NH2+]CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001276226360 1205843752 /nfs/dbraw/zinc/84/37/52/1205843752.db2.gz DWSHAHMQLYBFGH-PBHICJAKSA-N 1 3 333.467 2.385 10 0 EEAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCN1C(=O)COc2ccccc21 ZINC000925575642 1206130962 /nfs/dbraw/zinc/13/09/62/1206130962.db2.gz SJQLZNOPDDWIKY-CCKFTAQKSA-N 1 3 343.471 2.168 10 0 EEAEHO C[C@H](C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)N1CCCCCC1 ZINC000928834432 1206425891 /nfs/dbraw/zinc/42/58/91/1206425891.db2.gz GTCGEPDEPAHUSN-AEFFLSMTSA-N 1 3 332.492 2.455 10 0 EEAEHO Cc1ccc([C@@H](CNC(=O)C23CC[NH+](CC2)C3)N2CCCC2)cc1 ZINC000900435377 1234353335 /nfs/dbraw/zinc/35/33/35/1234353335.db2.gz MINMDZITCBRZCT-GOSISDBHSA-N 1 3 327.472 2.344 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@H+](C)CC[C@@H]2CCCO2)C1 ZINC001490782960 1291728536 /nfs/dbraw/zinc/72/85/36/1291728536.db2.gz MHADRUPTYFPXED-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@@H+](C)CC[C@@H]2CCCO2)C1 ZINC001490782960 1291728541 /nfs/dbraw/zinc/72/85/41/1291728541.db2.gz MHADRUPTYFPXED-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO OC1(CN[C@H]2CCCc3c[nH]nc32)CC[NH+](Cc2ccccc2)CC1 ZINC000857869328 1293936336 /nfs/dbraw/zinc/93/63/36/1293936336.db2.gz MYQDPEHNUJNPAN-SFHVURJKSA-N 1 3 340.471 2.404 10 0 EEAEHO CSc1ccccc1CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549809 1296329128 /nfs/dbraw/zinc/32/91/28/1296329128.db2.gz RSQINIISKIPOPY-CVEARBPZSA-N 1 3 347.484 2.166 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCNCc2cc(C)no2)CC[N@@H+]1C ZINC001277193599 1301750526 /nfs/dbraw/zinc/75/05/26/1301750526.db2.gz JRIYBWHSLRDYSQ-XOKHGSTOSA-N 1 3 336.480 2.088 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCNCc2cc(C)no2)CC[N@H+]1C ZINC001277193599 1301750535 /nfs/dbraw/zinc/75/05/35/1301750535.db2.gz JRIYBWHSLRDYSQ-XOKHGSTOSA-N 1 3 336.480 2.088 10 0 EEAEHO CCCCC[N@H+](CCOC)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001277398022 1302850141 /nfs/dbraw/zinc/85/01/41/1302850141.db2.gz ATSCUJOMKCFYRJ-GOSISDBHSA-N 1 3 339.524 2.210 10 0 EEAEHO CCCCC[N@@H+](CCOC)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001277398022 1302850144 /nfs/dbraw/zinc/85/01/44/1302850144.db2.gz ATSCUJOMKCFYRJ-GOSISDBHSA-N 1 3 339.524 2.210 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc(Cl)n1 ZINC000841849898 1315622978 /nfs/dbraw/zinc/62/29/78/1315622978.db2.gz OOIOCDYHZRBDTA-SPWCGHHHSA-N 1 3 336.867 2.019 10 0 EEAEHO CCOCC[NH2+][C@H]1CCCCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001264121917 1322633647 /nfs/dbraw/zinc/63/36/47/1322633647.db2.gz CDHSIFJJUFSKBP-KRWDZBQOSA-N 1 3 341.540 2.362 10 0 EEAEHO COCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001281087935 1322834422 /nfs/dbraw/zinc/83/44/22/1322834422.db2.gz OKWHWPKVLZABCL-LJQANCHMSA-N 1 3 348.491 2.083 10 0 EEAEHO COCCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001281087935 1322834427 /nfs/dbraw/zinc/83/44/27/1322834427.db2.gz OKWHWPKVLZABCL-LJQANCHMSA-N 1 3 348.491 2.083 10 0 EEAEHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001266149575 1323719240 /nfs/dbraw/zinc/71/92/40/1323719240.db2.gz ZGYCANAEIHFYJX-ZDUSSCGKSA-N 1 3 338.883 2.204 10 0 EEAEHO Cc1ccncc1C[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001280198698 1324110385 /nfs/dbraw/zinc/11/03/85/1324110385.db2.gz VVJQHHDEAAQNIP-FUHWJXTLSA-N 1 3 344.503 2.060 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CC[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001280208033 1324115412 /nfs/dbraw/zinc/11/54/12/1324115412.db2.gz RFPJVWAYRKDDBP-ZIAGYGMSSA-N 1 3 340.418 2.216 10 0 EEAEHO C[C@H]1[C@H]([NH2+]CCCc2ccccc2)CCN1C(=O)CN1CCCC1 ZINC001283937788 1326328435 /nfs/dbraw/zinc/32/84/35/1326328435.db2.gz DVNAYVMORBNXBT-PKOBYXMFSA-N 1 3 329.488 2.294 10 0 EEAEHO Cc1ccncc1CN[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001491685842 1330205643 /nfs/dbraw/zinc/20/56/43/1330205643.db2.gz ZHIIGSWQAIUMID-HKUYNNGSSA-N 1 3 346.519 2.495 10 0 EEAEHO Cc1ncc(CNCC[C@@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)o1 ZINC001316688818 1331339788 /nfs/dbraw/zinc/33/97/88/1331339788.db2.gz RHQYPJBRCMSALK-WMLDXEAASA-N 1 3 336.480 2.042 10 0 EEAEHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001317343276 1332187377 /nfs/dbraw/zinc/18/73/77/1332187377.db2.gz KLIFPJNQUODNMC-JKSUJKDBSA-N 1 3 343.462 2.346 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cccc(OC)c1C ZINC001317664614 1332358972 /nfs/dbraw/zinc/35/89/72/1332358972.db2.gz LGNGGZWMKXAQIX-SFHVURJKSA-N 1 3 347.503 2.426 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)CN2CC[C@H](C)C2)cc1 ZINC001319111256 1332650943 /nfs/dbraw/zinc/65/09/43/1332650943.db2.gz DMLFMRZZUUNMNT-AZUAARDMSA-N 1 3 343.515 2.460 10 0 EEAEHO C[C@@H](CNCc1ccc(Cl)nc1)N(C)C(=O)CCC[NH+](C)C ZINC001319524415 1332716179 /nfs/dbraw/zinc/71/61/79/1332716179.db2.gz VPTKWDJHTBMPBD-ZDUSSCGKSA-N 1 3 326.872 2.013 10 0 EEAEHO Cc1cccnc1C[NH2+]CC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001320548879 1332907647 /nfs/dbraw/zinc/90/76/47/1332907647.db2.gz NNWJCFAMYAWSCF-MRXNPFEDSA-N 1 3 334.508 2.352 10 0 EEAEHO CCN(CCNCc1cccnc1C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001320928104 1332981097 /nfs/dbraw/zinc/98/10/97/1332981097.db2.gz GFFPQNSUQCGHDT-HOTGVXAUSA-N 1 3 332.492 2.201 10 0 EEAEHO COc1cccc(CNC/C=C\CNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001321187194 1333039701 /nfs/dbraw/zinc/03/97/01/1333039701.db2.gz SHPBCNHQOPRXDD-PLNGDYQASA-N 1 3 345.487 2.332 10 0 EEAEHO Cc1ncsc1CNC/C=C/CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001321416232 1333098672 /nfs/dbraw/zinc/09/86/72/1333098672.db2.gz HKOJLEHANAMTPR-KOABKASLSA-N 1 3 336.505 2.086 10 0 EEAEHO Cc1ccccc1C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001326429358 1334092579 /nfs/dbraw/zinc/09/25/79/1334092579.db2.gz CWRLWMYHCPZUMZ-GOSISDBHSA-N 1 3 329.488 2.419 10 0 EEAEHO COCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C[C@H]1C ZINC001328281498 1334435951 /nfs/dbraw/zinc/43/59/51/1334435951.db2.gz DBYZJLVBBHOHAS-ZBFHGGJFSA-N 1 3 336.480 2.046 10 0 EEAEHO COCCCCC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C[C@H]1C ZINC001328281498 1334435954 /nfs/dbraw/zinc/43/59/54/1334435954.db2.gz DBYZJLVBBHOHAS-ZBFHGGJFSA-N 1 3 336.480 2.046 10 0 EEAEHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CCCOC(C)C)C2)N(C)C ZINC001330512249 1334861475 /nfs/dbraw/zinc/86/14/75/1334861475.db2.gz OHSPVNFOWOUDBR-KRWDZBQOSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CCCOC(C)C)C2)N(C)C ZINC001330512249 1334861476 /nfs/dbraw/zinc/86/14/76/1334861476.db2.gz OHSPVNFOWOUDBR-KRWDZBQOSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001330613289 1334877644 /nfs/dbraw/zinc/87/76/44/1334877644.db2.gz MFAVMAMBUHOMQM-OBJOEFQTSA-N 1 3 336.307 2.376 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@H](CNCc1cccc(Cl)n1)C(C)(C)C ZINC001332857250 1335919847 /nfs/dbraw/zinc/91/98/47/1335919847.db2.gz LPSJBTLYQXGBBK-AWEZNQCLSA-N 1 3 340.899 2.307 10 0 EEAEHO CN(C)CCN(CCc1ccccc1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847409456 1338039562 /nfs/dbraw/zinc/03/95/62/1338039562.db2.gz NURMXCDYYSXAPV-KDURUIRLSA-N 1 3 346.519 2.143 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001568783129 1342854495 /nfs/dbraw/zinc/85/44/95/1342854495.db2.gz NRQZCJGOYKBWSR-RBUKOAKNSA-N 1 3 344.503 2.345 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001568783129 1342854501 /nfs/dbraw/zinc/85/45/01/1342854501.db2.gz NRQZCJGOYKBWSR-RBUKOAKNSA-N 1 3 344.503 2.345 10 0 EEAEHO CC(C)=CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001571073084 1343161289 /nfs/dbraw/zinc/16/12/89/1343161289.db2.gz MUPPMZRTXQSWLO-ZWKOTPCHSA-N 1 3 349.519 2.034 10 0 EEAEHO CC(C)OCCC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001571334114 1343187248 /nfs/dbraw/zinc/18/72/48/1343187248.db2.gz MIYIZVRSOSEPIO-GOSISDBHSA-N 1 3 341.540 2.311 10 0 EEAEHO CC(C)OCCC[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001571334114 1343187252 /nfs/dbraw/zinc/18/72/52/1343187252.db2.gz MIYIZVRSOSEPIO-GOSISDBHSA-N 1 3 341.540 2.311 10 0 EEAEHO CCOCCN1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC001571527562 1343228845 /nfs/dbraw/zinc/22/88/45/1343228845.db2.gz ZTURXVSOXNGDPM-QFBILLFUSA-N 1 3 347.503 2.367 10 0 EEAEHO C[C@@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)CN1C(=O)CN1CCCC1 ZINC001676781737 1357198851 /nfs/dbraw/zinc/19/88/51/1357198851.db2.gz CVPYSRUEOHUMBZ-VQIMIIECSA-N 1 3 347.478 2.433 10 0 EEAEHO Cc1cccc(C)c1OCC[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001661512065 1354647386 /nfs/dbraw/zinc/64/73/86/1354647386.db2.gz XGETWCRYYPVUBZ-IYARVYRRSA-N 1 3 347.503 2.259 10 0 EEAEHO C[C@H]1CC[N@H+](CC(=O)N(C)CCNCc2ccc(Cl)c(F)c2)C1 ZINC001664187534 1355110324 /nfs/dbraw/zinc/11/03/24/1355110324.db2.gz YUYQJRAOVRTPQV-ZDUSSCGKSA-N 1 3 341.858 2.369 10 0 EEAEHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNCc2ccc(Cl)c(F)c2)C1 ZINC001664187534 1355110329 /nfs/dbraw/zinc/11/03/29/1355110329.db2.gz YUYQJRAOVRTPQV-ZDUSSCGKSA-N 1 3 341.858 2.369 10 0 EEAEHO CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001666992017 1355628449 /nfs/dbraw/zinc/62/84/49/1355628449.db2.gz JXHWNFQAVZQZPZ-QAPCUYQASA-N 1 3 345.503 2.060 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001666993014 1355629251 /nfs/dbraw/zinc/62/92/51/1355629251.db2.gz XWCHVCRQJUGURC-QZTJIDSGSA-N 1 3 331.504 2.316 10 0 EEAEHO C[C@H](CC[NH2+]C[C@@H]1CCCOC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001668060672 1355859515 /nfs/dbraw/zinc/85/95/15/1355859515.db2.gz QLTNHWOLWFVHQS-SJORKVTESA-N 1 3 339.524 2.162 10 0 EEAEHO CCN(CCNCc1cn(C(C)C)nc1C)C(=O)C1CC[NH+](C)CC1 ZINC001668542059 1355959785 /nfs/dbraw/zinc/95/97/85/1355959785.db2.gz JPOPSRIIGXKLHU-UHFFFAOYSA-N 1 3 349.523 2.052 10 0 EEAEHO Cc1cnc(CNCCCN(C)C(=O)C23CCC[NH+]2CCC3)s1 ZINC001670162097 1356288221 /nfs/dbraw/zinc/28/82/21/1356288221.db2.gz GUZCIMQKDUKANE-UHFFFAOYSA-N 1 3 336.505 2.018 10 0 EEAEHO Cc1cc(CNCCCN(C)C(=O)c2cccc(C[NH+](C)C)c2)on1 ZINC001670357666 1356326752 /nfs/dbraw/zinc/32/67/52/1356326752.db2.gz MYVCBRNAJGCOAB-UHFFFAOYSA-N 1 3 344.459 2.297 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001671805034 1356417969 /nfs/dbraw/zinc/41/79/69/1356417969.db2.gz KUWLFDXNVDXRHO-MJGOQNOKSA-N 1 3 339.524 2.116 10 0 EEAEHO CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)N(CC)CC ZINC001672531598 1356547589 /nfs/dbraw/zinc/54/75/89/1356547589.db2.gz XFMVLYPUNQINJC-OKZBNKHCSA-N 1 3 339.524 2.209 10 0 EEAEHO CCOCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)N(CC)CC ZINC001672531598 1356547593 /nfs/dbraw/zinc/54/75/93/1356547593.db2.gz XFMVLYPUNQINJC-OKZBNKHCSA-N 1 3 339.524 2.209 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001673650502 1356727009 /nfs/dbraw/zinc/72/70/09/1356727009.db2.gz JVXRLXVMQSNUEA-LJQANCHMSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001673650502 1356727012 /nfs/dbraw/zinc/72/70/12/1356727012.db2.gz JVXRLXVMQSNUEA-LJQANCHMSA-N 1 3 339.524 2.068 10 0 EEAEHO C[C@H](C[NH2+]CC[C@H]1CCCO1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001698861299 1405117327 /nfs/dbraw/zinc/11/73/27/1405117327.db2.gz OQODLFCITZKFLX-VQIMIIECSA-N 1 3 347.503 2.367 10 0 EEAEHO COCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001699012417 1405227365 /nfs/dbraw/zinc/22/73/65/1405227365.db2.gz DOTIHHLOIMWLAG-DLBZAZTESA-N 1 3 339.524 2.162 10 0 EEAEHO FC(F)(F)[C@@H]1CCC[C@H](CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)O1 ZINC000925835362 779060322 /nfs/dbraw/zinc/06/03/22/779060322.db2.gz SHWVXTLYGDCVHG-FQKPHLNHSA-N 1 3 336.398 2.233 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc(Cl)n1 ZINC000817860910 785026828 /nfs/dbraw/zinc/02/68/28/785026828.db2.gz YZIVCAZRMCHLIF-WAZAZEMKSA-N 1 3 338.883 2.265 10 0 EEAEHO Cc1cc(C)cc([C@H](O)C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000819085331 785396043 /nfs/dbraw/zinc/39/60/43/785396043.db2.gz UFLAAJXXDIFCLZ-YLJYHZDGSA-N 1 3 332.488 2.427 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC000585121321 786524408 /nfs/dbraw/zinc/52/44/08/786524408.db2.gz LZHWDVVOHVABGW-KRWDZBQOSA-N 1 3 327.472 2.205 10 0 EEAEHO C[C@@H]1CN(CC(=O)NCCCSc2ccccc2)CC[C@H]1C[NH3+] ZINC000923499155 789681035 /nfs/dbraw/zinc/68/10/35/789681035.db2.gz KQTKGRDNLZRMJC-CVEARBPZSA-N 1 3 335.517 2.202 10 0 EEAEHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)ccc1OC ZINC000846187999 790083489 /nfs/dbraw/zinc/08/34/89/790083489.db2.gz DQUGNUNVIXOOPA-UNEWFSDZSA-N 1 3 333.476 2.452 10 0 EEAEHO Cc1ccc2nc(CN3CCC([C@H]4[NH2+]CC4(C)C)CC3)cc(=O)n2c1 ZINC000952877379 796061380 /nfs/dbraw/zinc/06/13/80/796061380.db2.gz PEMZMQNIBCZLSF-LJQANCHMSA-N 1 3 340.471 2.213 10 0 EEAEHO Cc1ccc(C[N@@H+](C)CCCNC(=O)CN2CC[C@H](C)C2)cc1F ZINC001566491213 1125654394 /nfs/dbraw/zinc/65/43/94/1125654394.db2.gz QJMBMCPZTKDFEL-HNNXBMFYSA-N 1 3 335.467 2.414 10 0 EEAEHO Cc1ccc(C[N@H+](C)CCCNC(=O)CN2CC[C@H](C)C2)cc1F ZINC001566491213 1125654400 /nfs/dbraw/zinc/65/44/00/1125654400.db2.gz QJMBMCPZTKDFEL-HNNXBMFYSA-N 1 3 335.467 2.414 10 0 EEAEHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1)CC(C)(C)C ZINC001436963227 1088654707 /nfs/dbraw/zinc/65/47/07/1088654707.db2.gz CPCYQXKBOHXSMN-HDICACEKSA-N 1 3 331.504 2.444 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001437027547 1088829743 /nfs/dbraw/zinc/82/97/43/1088829743.db2.gz CIJMKGNESQBGTD-INIZCTEOSA-N 1 3 335.467 2.494 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001437723843 1090277121 /nfs/dbraw/zinc/27/71/21/1090277121.db2.gz FBGGWDPLNFIKNG-MAUKXSAKSA-N 1 3 325.472 2.047 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001437723843 1090277126 /nfs/dbraw/zinc/27/71/26/1090277126.db2.gz FBGGWDPLNFIKNG-MAUKXSAKSA-N 1 3 325.472 2.047 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001437739521 1090299636 /nfs/dbraw/zinc/29/96/36/1090299636.db2.gz OBYAJKJUOYJXOP-QGZVFWFLSA-N 1 3 342.487 2.446 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001437739521 1090299646 /nfs/dbraw/zinc/29/96/46/1090299646.db2.gz OBYAJKJUOYJXOP-QGZVFWFLSA-N 1 3 342.487 2.446 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)NCC[C@@H]2CC[N@H+](CCCF)C2)C1 ZINC001437940253 1090533063 /nfs/dbraw/zinc/53/30/63/1090533063.db2.gz MGYCBLICSWUIJZ-CRAIPNDOSA-N 1 3 345.478 2.387 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)NCC[C@@H]2CC[N@@H+](CCCF)C2)C1 ZINC001437940253 1090533067 /nfs/dbraw/zinc/53/30/67/1090533067.db2.gz MGYCBLICSWUIJZ-CRAIPNDOSA-N 1 3 345.478 2.387 10 0 EEAEHO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@](C)(CNCc1cscn1)C1CC1 ZINC001438419222 1090913613 /nfs/dbraw/zinc/91/36/13/1090913613.db2.gz JEHZYJBRSHDPTH-RDJZCZTQSA-N 1 3 336.505 2.002 10 0 EEAEHO C[N@H+]1CCCC[C@H]1C(=O)N[C@@](C)(CNCc1cscn1)C1CC1 ZINC001438419222 1090913615 /nfs/dbraw/zinc/91/36/15/1090913615.db2.gz JEHZYJBRSHDPTH-RDJZCZTQSA-N 1 3 336.505 2.002 10 0 EEAEHO C[C@@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C(=O)CN1CCCC1 ZINC001438724631 1091255218 /nfs/dbraw/zinc/25/52/18/1091255218.db2.gz UJFTWKDLEUCYKF-KBXCAEBGSA-N 1 3 333.451 2.345 10 0 EEAEHO C[C@@H](CN(C)CCOc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439351412 1092064452 /nfs/dbraw/zinc/06/44/52/1092064452.db2.gz FHFNIQYIXVYXGW-KRWDZBQOSA-N 1 3 347.503 2.376 10 0 EEAEHO C[NH+](C)CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2CCC(F)(F)F ZINC001440183779 1093241487 /nfs/dbraw/zinc/24/14/87/1093241487.db2.gz CSUCNRBWEXFJDQ-ZIAGYGMSSA-N 1 3 335.414 2.346 10 0 EEAEHO C[C@H](CN(C)C(=O)c1ccc(C[NH+](C)C)cc1)NCc1cncs1 ZINC001448748692 1093818443 /nfs/dbraw/zinc/81/84/43/1093818443.db2.gz FCWPVGSVOHXWJI-CQSZACIVSA-N 1 3 346.500 2.455 10 0 EEAEHO CC1([NH2+]CCc2cccs2)CCN(C(=O)CN2CCCC2)CC1 ZINC001440613242 1093880640 /nfs/dbraw/zinc/88/06/40/1093880640.db2.gz KLIZADJJLBNXHL-UHFFFAOYSA-N 1 3 335.517 2.357 10 0 EEAEHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc2cc[nH]c2c1)N(C)C ZINC001440977032 1094236985 /nfs/dbraw/zinc/23/69/85/1094236985.db2.gz ORZYKLHFTNLLKQ-KDOFPFPSSA-N 1 3 330.476 2.445 10 0 EEAEHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc2cc[nH]c2c1)N(C)C ZINC001440977032 1094236989 /nfs/dbraw/zinc/23/69/89/1094236989.db2.gz ORZYKLHFTNLLKQ-KDOFPFPSSA-N 1 3 330.476 2.445 10 0 EEAEHO CC[C@H](C(=O)N(C)C1CC(NCc2ccccn2)C1)[NH+](CC)CC ZINC001449395571 1094373496 /nfs/dbraw/zinc/37/34/96/1094373496.db2.gz VKARTNQYPMGGOH-DAWZGUTISA-N 1 3 332.492 2.281 10 0 EEAEHO C[N@H+](CCC(F)(F)F)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001441297731 1094740565 /nfs/dbraw/zinc/74/05/65/1094740565.db2.gz TVOVCLHQNUZBBH-AWEZNQCLSA-N 1 3 335.414 2.205 10 0 EEAEHO C[N@@H+](CCC(F)(F)F)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001441297731 1094740577 /nfs/dbraw/zinc/74/05/77/1094740577.db2.gz TVOVCLHQNUZBBH-AWEZNQCLSA-N 1 3 335.414 2.205 10 0 EEAEHO Cc1cccnc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)C(C)C ZINC001441457376 1095109053 /nfs/dbraw/zinc/10/90/53/1095109053.db2.gz CMFNKWBOYVYHMA-GOSISDBHSA-N 1 3 332.492 2.057 10 0 EEAEHO C[C@@H](CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)NCc1ccnn1C ZINC001441556410 1095298043 /nfs/dbraw/zinc/29/80/43/1095298043.db2.gz LQWRXEPOHFOHTB-HNNXBMFYSA-N 1 3 349.523 2.010 10 0 EEAEHO C[C@@H](CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1)NCc1ccnn1C ZINC001441556410 1095298050 /nfs/dbraw/zinc/29/80/50/1095298050.db2.gz LQWRXEPOHFOHTB-HNNXBMFYSA-N 1 3 349.523 2.010 10 0 EEAEHO C[C@@H](CNC(=O)c1ccccc1CC[NH+](C)C)NCc1cncs1 ZINC001441920142 1096102338 /nfs/dbraw/zinc/10/23/38/1096102338.db2.gz LAMFVEIHAHJIRM-AWEZNQCLSA-N 1 3 346.500 2.155 10 0 EEAEHO C[N@H+](CCCF)C[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001443336562 1097849157 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331.504 2.458 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CNCc2ccccn2)C2CCCCC2)C1 ZINC001444800849 1099719637 /nfs/dbraw/zinc/71/96/37/1099719637.db2.gz YMMFAMLFXCZPGL-HKUYNNGSSA-N 1 3 344.503 2.188 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)N[C@@H](CNCc2ccccn2)C2CCCCC2)C1 ZINC001444800849 1099719643 /nfs/dbraw/zinc/71/96/43/1099719643.db2.gz YMMFAMLFXCZPGL-HKUYNNGSSA-N 1 3 344.503 2.188 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001480173379 1099752299 /nfs/dbraw/zinc/75/22/99/1099752299.db2.gz HFHDLBVEEHLFCA-DEYYWGMASA-N 1 3 333.451 2.390 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCN(Cc3ccsc3)C2)C1 ZINC001480267579 1099963905 /nfs/dbraw/zinc/96/39/05/1099963905.db2.gz NWRPODJTZFNCOP-JKSUJKDBSA-N 1 3 335.517 2.418 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCN(Cc3ccsc3)C2)C1 ZINC001480267579 1099963915 /nfs/dbraw/zinc/96/39/15/1099963915.db2.gz NWRPODJTZFNCOP-JKSUJKDBSA-N 1 3 335.517 2.418 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CNCc2ccccn2)C2CCCC2)C1 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CC(C)[C@H](CCN(C)C(=O)CN1CCCC1)[NH2+]Cc1ccccn1 ZINC001448221464 1104203890 /nfs/dbraw/zinc/20/38/90/1104203890.db2.gz OAJWQBPZIZYBLL-SFHVURJKSA-N 1 3 332.492 2.140 10 0 EEAEHO C[C@H](CN(C)[C@@H](C)c1ccc(F)c(F)c1)NC(=O)CC[NH+](C)C ZINC001498374199 1107413593 /nfs/dbraw/zinc/41/35/93/1107413593.db2.gz CUEGGRVJAAINSE-OLZOCXBDSA-N 1 3 327.419 2.414 10 0 EEAEHO CC(C)[C@@H](C(=O)NC[C@H]1CCN(CCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001493270040 1107822105 /nfs/dbraw/zinc/82/21/05/1107822105.db2.gz ZZONNCIYMSJLEB-CABCVRRESA-N 1 3 349.441 2.497 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(Cl)nc1)C1CC1)N(C)C ZINC001498862617 1108239129 /nfs/dbraw/zinc/23/91/29/1108239129.db2.gz XXAHACBAXFAVFQ-HUUCEWRRSA-N 1 3 338.883 2.060 10 0 EEAEHO Cc1ccc(F)cc1C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C1CC1 ZINC001498872366 1108255200 /nfs/dbraw/zinc/25/52/00/1108255200.db2.gz GHITZAFOVXTCRV-GOSISDBHSA-N 1 3 335.467 2.459 10 0 EEAEHO C[C@H](CN1CCOCC1)CN1CCC([NH2+]Cc2ccccc2)CC1 ZINC001473490167 1110575920 /nfs/dbraw/zinc/57/59/20/1110575920.db2.gz WIJDDDUSDZZQKB-SFHVURJKSA-N 1 3 331.504 2.209 10 0 EEAEHO C[C@H](CN1CCOCC1)C[NH+]1CCC(NCc2ccccc2)CC1 ZINC001473490167 1110575921 /nfs/dbraw/zinc/57/59/21/1110575921.db2.gz WIJDDDUSDZZQKB-SFHVURJKSA-N 1 3 331.504 2.209 10 0 EEAEHO CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1)N1CCCC1 ZINC001479386520 1110689611 /nfs/dbraw/zinc/68/96/11/1110689611.db2.gz TZBOKUSUKRWOLB-JOCQHMNTSA-N 1 3 335.414 2.298 10 0 EEAEHO CC(C)N1CCC(F)(F)[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001500611553 1112975007 /nfs/dbraw/zinc/97/50/07/1112975007.db2.gz VEVBUYZAHLZOIY-LSDHHAIUSA-N 1 3 331.451 2.343 10 0 EEAEHO CC(C)N1CCC(F)(F)[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001500611553 1112975010 /nfs/dbraw/zinc/97/50/10/1112975010.db2.gz VEVBUYZAHLZOIY-LSDHHAIUSA-N 1 3 331.451 2.343 10 0 EEAEHO CC(C)OCCN(C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001505434166 1113968131 /nfs/dbraw/zinc/96/81/31/1113968131.db2.gz MAKSYLYFULCXSE-QZTJIDSGSA-N 1 3 339.524 2.209 10 0 EEAEHO CC(C)OCCN(C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001505434166 1113968133 /nfs/dbraw/zinc/96/81/33/1113968133.db2.gz MAKSYLYFULCXSE-QZTJIDSGSA-N 1 3 339.524 2.209 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]C[C@H]2CC[C@@H](C)O2)CCCCC1 ZINC001506521104 1114670456 /nfs/dbraw/zinc/67/04/56/1114670456.db2.gz BGSMVJDEUJEOOP-GDBMZVCRSA-N 1 3 348.491 2.237 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001507163333 1115142253 /nfs/dbraw/zinc/14/22/53/1115142253.db2.gz UNVKCIVQUNTKLY-CHWSQXEVSA-N 1 3 338.323 2.347 10 0 EEAEHO Cc1nc(CN[C@@H]2CCC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@H]32)co1 ZINC001507361678 1115222432 /nfs/dbraw/zinc/22/24/32/1115222432.db2.gz NHIJUOVUSSZUKD-KBAYOESNSA-N 1 3 348.491 2.042 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N(C)C1CC(NCc2cc(C)ns2)C1 ZINC001508146057 1115427702 /nfs/dbraw/zinc/42/77/02/1115427702.db2.gz UGOHVCGNVUAMIO-UHFFFAOYSA-N 1 3 338.521 2.262 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N(C)C1CC(NCc2cc(C)ns2)C1 ZINC001508146057 1115427703 /nfs/dbraw/zinc/42/77/03/1115427703.db2.gz UGOHVCGNVUAMIO-UHFFFAOYSA-N 1 3 338.521 2.262 10 0 EEAEHO CCN(CC[NH2+]C[C@@H](O)c1ccccc1)C(=O)[C@@H]1CCCCN1CC ZINC001568800963 1124815501 /nfs/dbraw/zinc/81/55/01/1124815501.db2.gz XUFKLFUNKGVKJW-RBUKOAKNSA-N 1 3 347.503 2.033 10 0 EEAEHO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)C[C@@H](C)N)CC2)cc1 ZINC000422710267 240186775 /nfs/dbraw/zinc/18/67/75/240186775.db2.gz FNZOUKYLDNNWGS-CABCVRRESA-N 1 3 333.476 2.405 10 0 EEAEHO CCN1CCCC[C@@H]1CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000110993423 220088837 /nfs/dbraw/zinc/08/88/37/220088837.db2.gz JDJMCFFOQIRXAF-MRXNPFEDSA-N 1 3 333.476 2.231 10 0 EEAEHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246822044 160295789 /nfs/dbraw/zinc/29/57/89/160295789.db2.gz WJKKBBWRCGJQAR-OALUTQOASA-N 1 3 342.487 2.141 10 0 EEAEHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246822044 160295790 /nfs/dbraw/zinc/29/57/90/160295790.db2.gz WJKKBBWRCGJQAR-OALUTQOASA-N 1 3 342.487 2.141 10 0 EEAEHO CC(C)(C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(N)=O ZINC000248425436 160345627 /nfs/dbraw/zinc/34/56/27/160345627.db2.gz NXXSBQKAFCOZBS-RCCFBDPRSA-N 1 3 329.488 2.388 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccnc1 ZINC000345196985 161280991 /nfs/dbraw/zinc/28/09/91/161280991.db2.gz AZISDTDHFLVYPO-SJLPKXTDSA-N 1 3 332.492 2.060 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccnc1 ZINC000345196985 161280992 /nfs/dbraw/zinc/28/09/92/161280992.db2.gz AZISDTDHFLVYPO-SJLPKXTDSA-N 1 3 332.492 2.060 10 0 EEAEHO Cc1sccc1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000345590388 161314214 /nfs/dbraw/zinc/31/42/14/161314214.db2.gz SOXUCJNRBFMXKG-UHFFFAOYSA-N 1 3 335.517 2.274 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnn2ccccc12 ZINC000289527941 275124420 /nfs/dbraw/zinc/12/44/20/275124420.db2.gz VXCDLFHNFROJQK-SFHVURJKSA-N 1 3 329.492 2.182 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnn2ccccc12 ZINC000289527941 275124421 /nfs/dbraw/zinc/12/44/21/275124421.db2.gz VXCDLFHNFROJQK-SFHVURJKSA-N 1 3 329.492 2.182 10 0 EEAEHO C[C@@H](C(=O)N(C)C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291395762 275301351 /nfs/dbraw/zinc/30/13/51/275301351.db2.gz DEVTXPSJKGQVMH-KRWDZBQOSA-N 1 3 329.488 2.451 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCCN(C3CC3)CC2)C1 ZINC000178733318 277390607 /nfs/dbraw/zinc/39/06/07/277390607.db2.gz RVOIWYVXNXZVOO-KRWDZBQOSA-N 1 3 336.524 2.234 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCCN(C3CC3)CC2)C1 ZINC000178733318 277390609 /nfs/dbraw/zinc/39/06/09/277390609.db2.gz RVOIWYVXNXZVOO-KRWDZBQOSA-N 1 3 336.524 2.234 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)[C@H]1c1ccccc1 ZINC000489937533 290250135 /nfs/dbraw/zinc/25/01/35/290250135.db2.gz ZJCLGBCAFMVDKB-NSHGMRRFSA-N 1 3 342.487 2.169 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)[C@H]1c1ccccc1 ZINC000489937533 290250136 /nfs/dbraw/zinc/25/01/36/290250136.db2.gz ZJCLGBCAFMVDKB-NSHGMRRFSA-N 1 3 342.487 2.169 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[N@@H+]1C ZINC000340857546 297257070 /nfs/dbraw/zinc/25/70/70/297257070.db2.gz HLVKDGSMQFJYIZ-NZSAHSFTSA-N 1 3 346.519 2.283 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[N@H+]1C ZINC000340857546 297257074 /nfs/dbraw/zinc/25/70/74/297257074.db2.gz HLVKDGSMQFJYIZ-NZSAHSFTSA-N 1 3 346.519 2.283 10 0 EEAEHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000333805358 312199891 /nfs/dbraw/zinc/19/98/91/312199891.db2.gz ORRUFEZYNXIAFQ-IRXDYDNUSA-N 1 3 336.524 2.330 10 0 EEAEHO COCCN(C)c1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cn1 ZINC000414813116 313095164 /nfs/dbraw/zinc/09/51/64/313095164.db2.gz LXRNASWHZGPFTH-OAHLLOKOSA-N 1 3 328.460 2.474 10 0 EEAEHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000416794560 313318440 /nfs/dbraw/zinc/31/84/40/313318440.db2.gz PWYONNFZRLOJFH-IEBWSBKVSA-N 1 3 342.487 2.044 10 0 EEAEHO CC(C)(CNC(=O)N(CC[NH3+])CCc1ccccc1)N1CCCCC1 ZINC000416820958 313325354 /nfs/dbraw/zinc/32/53/54/313325354.db2.gz DBIDMSNNPNGTNX-UHFFFAOYSA-N 1 3 346.519 2.464 10 0 EEAEHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000416843306 313333144 /nfs/dbraw/zinc/33/31/44/313333144.db2.gz OKOSAUUUFSLFTQ-HRCADAONSA-N 1 3 348.516 2.278 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)N(C)C)cc1 ZINC000416850234 313335760 /nfs/dbraw/zinc/33/57/60/313335760.db2.gz ZFSKEEJHXIJBCK-QYZOEREBSA-N 1 3 344.503 2.245 10 0 EEAEHO Cc1ncncc1[C@H](C)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000517959955 316701923 /nfs/dbraw/zinc/70/19/23/316701923.db2.gz JLYUYBZKDPJRMA-INIZCTEOSA-N 1 3 340.471 2.463 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H](O)CC1(O)CCC1 ZINC000528450203 317390042 /nfs/dbraw/zinc/39/00/42/317390042.db2.gz NLCKOWLOVDXGDK-BWPNAZKDSA-N 1 3 346.515 2.399 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H](O)CC1(O)CCC1 ZINC000528450203 317390044 /nfs/dbraw/zinc/39/00/44/317390044.db2.gz NLCKOWLOVDXGDK-BWPNAZKDSA-N 1 3 346.515 2.399 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)[C@@H]2CN3CCC2CC3)CC1 ZINC000530727437 317744503 /nfs/dbraw/zinc/74/45/03/317744503.db2.gz JINLJHRKGMAPRF-LJQANCHMSA-N 1 3 342.487 2.159 10 0 EEAEHO O=C(CCN1CCc2ccccc2C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000545308673 318216269 /nfs/dbraw/zinc/21/62/69/318216269.db2.gz ZSHIGJOWMCLUHV-LJQANCHMSA-N 1 3 327.472 2.132 10 0 EEAEHO CC(C)c1ccc(NC(=O)C[C@H](C)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000546572542 318253327 /nfs/dbraw/zinc/25/33/27/318253327.db2.gz IYNYTZZGQAZEMV-KXBFYZLASA-N 1 3 333.476 2.183 10 0 EEAEHO CC(C)c1ccc(NC(=O)C[C@H](C)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000546572542 318253329 /nfs/dbraw/zinc/25/33/29/318253329.db2.gz IYNYTZZGQAZEMV-KXBFYZLASA-N 1 3 333.476 2.183 10 0 EEAEHO CC(C)(CNC(=O)N1CCc2ccccc2[C@H]1CN)C[NH+]1CCCC1 ZINC000563092426 318971210 /nfs/dbraw/zinc/97/12/10/318971210.db2.gz KASYNQQYEPHLPG-GOSISDBHSA-N 1 3 344.503 2.376 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000563529157 319019600 /nfs/dbraw/zinc/01/96/00/319019600.db2.gz GXASCTUFKYCQGQ-KBAYOESNSA-N 1 3 330.476 2.121 10 0 EEAEHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000563604538 319029079 /nfs/dbraw/zinc/02/90/79/319029079.db2.gz SZLJXGBJRASOJI-RDJZCZTQSA-N 1 3 330.476 2.172 10 0 EEAEHO CN(C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@H]1CCN(C2CC2)C1 ZINC000563610048 319029652 /nfs/dbraw/zinc/02/96/52/319029652.db2.gz XNGIBUBPLWSCPR-MPHDIFKYSA-N 1 3 346.519 2.018 10 0 EEAEHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000564907900 319126109 /nfs/dbraw/zinc/12/61/09/319126109.db2.gz SSLXIBPAMLWZGU-SFHVURJKSA-N 1 3 335.467 2.447 10 0 EEAEHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000564907900 319126111 /nfs/dbraw/zinc/12/61/11/319126111.db2.gz SSLXIBPAMLWZGU-SFHVURJKSA-N 1 3 335.467 2.447 10 0 EEAEHO O[C@H](C[NH2+]C1CC(N2CCCCC2)C1)COCc1ccccc1F ZINC000577603745 320265201 /nfs/dbraw/zinc/26/52/01/320265201.db2.gz WKTVBKAKPFEDCH-DAWZGUTISA-N 1 3 336.451 2.310 10 0 EEAEHO CC(C)[NH2+]CCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000581538211 324274603 /nfs/dbraw/zinc/27/46/03/324274603.db2.gz INQPBBGGRDRCHY-SFHVURJKSA-N 1 3 332.492 2.290 10 0 EEAEHO CC(C)C[C@H]([NH2+][C@@H](C)C1CCSCC1)C(=O)NCCN(C)C ZINC000354573853 465033782 /nfs/dbraw/zinc/03/37/82/465033782.db2.gz OCZJOGHHOVSVAQ-HOCLYGCPSA-N 1 3 329.554 2.200 10 0 EEAEHO CCC[NH+]1CCC(CNC(=O)c2ccccc2OCCN(C)C)CC1 ZINC000354585566 465038521 /nfs/dbraw/zinc/03/85/21/465038521.db2.gz QDQZUKGRBZLKFI-UHFFFAOYSA-N 1 3 347.503 2.479 10 0 EEAEHO CN1CCC(O)(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000578866126 468270846 /nfs/dbraw/zinc/27/08/46/468270846.db2.gz IMVRIVAKKLMPHW-IBGZPJMESA-N 1 3 343.515 2.230 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2CO)CC1 ZINC000088734983 462642815 /nfs/dbraw/zinc/64/28/15/462642815.db2.gz ZVWYDSVRLOLAMI-RTBURBONSA-N 1 3 331.504 2.469 10 0 EEAEHO CCN(C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000568288710 468316682 /nfs/dbraw/zinc/31/66/82/468316682.db2.gz IBALUNKWMFXCBG-RYQLBKOJSA-N 1 3 330.476 2.215 10 0 EEAEHO CCNC(=O)N1CC[C@H](N[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000090410694 462790115 /nfs/dbraw/zinc/79/01/15/462790115.db2.gz JSPOACAZJMJLSD-WBVHZDCISA-N 1 3 348.491 2.081 10 0 EEAEHO Cc1c(CNC(=O)N(CCN(C)C)CC[NH+](C)C)oc2ccccc12 ZINC000155188982 462858506 /nfs/dbraw/zinc/85/85/06/462858506.db2.gz KQCQLPFGNSJAGA-UHFFFAOYSA-N 1 3 346.475 2.376 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000535760701 468327852 /nfs/dbraw/zinc/32/78/52/468327852.db2.gz OMRRBMUTYYRBML-IBGZPJMESA-N 1 3 347.503 2.146 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000156644959 463052079 /nfs/dbraw/zinc/05/20/79/463052079.db2.gz XNTQHPJVKSMLRE-QXAKKESOSA-N 1 3 329.488 2.498 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000156644959 463052083 /nfs/dbraw/zinc/05/20/83/463052083.db2.gz XNTQHPJVKSMLRE-QXAKKESOSA-N 1 3 329.488 2.498 10 0 EEAEHO CNC(=O)C(C)(C)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000097082159 463317949 /nfs/dbraw/zinc/31/79/49/463317949.db2.gz GMKIHDQVUOEMGF-FGTMMUONSA-N 1 3 329.488 2.259 10 0 EEAEHO CN(CCC[NH+](C)C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000185482972 463830413 /nfs/dbraw/zinc/83/04/13/463830413.db2.gz FHOYQLQXTALRPT-UHFFFAOYSA-N 1 3 346.519 2.416 10 0 EEAEHO CC(C)[C@@H](CNC(=O)N1CCN2CCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000171900853 463944713 /nfs/dbraw/zinc/94/47/13/463944713.db2.gz LTDSWVYTWRTKIR-QZTJIDSGSA-N 1 3 336.524 2.233 10 0 EEAEHO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179194069 464079539 /nfs/dbraw/zinc/07/95/39/464079539.db2.gz SWQGUKJHJYRKEB-QZTJIDSGSA-N 1 3 332.492 2.463 10 0 EEAEHO CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179194069 464079543 /nfs/dbraw/zinc/07/95/43/464079543.db2.gz SWQGUKJHJYRKEB-QZTJIDSGSA-N 1 3 332.492 2.463 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(C)s1 ZINC000337588673 465453183 /nfs/dbraw/zinc/45/31/83/465453183.db2.gz VDYSIBUCJOARJZ-INIZCTEOSA-N 1 3 337.533 2.474 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(C)s1 ZINC000337588673 465453189 /nfs/dbraw/zinc/45/31/89/465453189.db2.gz VDYSIBUCJOARJZ-INIZCTEOSA-N 1 3 337.533 2.474 10 0 EEAEHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000246613757 464605422 /nfs/dbraw/zinc/60/54/22/464605422.db2.gz LVJWXECSBSQCME-IRXDYDNUSA-N 1 3 336.524 2.377 10 0 EEAEHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000246613757 464605428 /nfs/dbraw/zinc/60/54/28/464605428.db2.gz LVJWXECSBSQCME-IRXDYDNUSA-N 1 3 336.524 2.377 10 0 EEAEHO CCC[NH+]1CCC(CNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)CC1 ZINC000182554330 464681656 /nfs/dbraw/zinc/68/16/56/464681656.db2.gz QESXMGMEHFLZGZ-ROUUACIJSA-N 1 3 336.524 2.234 10 0 EEAEHO CCc1nccn1[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192735850 464987626 /nfs/dbraw/zinc/98/76/26/464987626.db2.gz YHMUYONUFHCGCC-IBGZPJMESA-N 1 3 347.551 2.499 10 0 EEAEHO CCc1nccn1[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192735850 464987629 /nfs/dbraw/zinc/98/76/29/464987629.db2.gz YHMUYONUFHCGCC-IBGZPJMESA-N 1 3 347.551 2.499 10 0 EEAEHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569122812 468444254 /nfs/dbraw/zinc/44/42/54/468444254.db2.gz JOCJAOXDCADCRP-HXUWFJFHSA-N 1 3 327.472 2.498 10 0 EEAEHO CCS[C@H]1CC[C@H](N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000362384028 465696017 /nfs/dbraw/zinc/69/60/17/465696017.db2.gz CQCUBJBXBQLLMV-IRXDYDNUSA-N 1 3 339.549 2.335 10 0 EEAEHO CC(C)[NH+]1CCC(NC(=O)CCN2CCc3ccccc3C2)CC1 ZINC000348974667 465900030 /nfs/dbraw/zinc/90/00/30/465900030.db2.gz VOJDOIRIRCRJCZ-UHFFFAOYSA-N 1 3 329.488 2.424 10 0 EEAEHO Cc1nccn1CCN1CCC[C@@H]([N@H+](C)CCn2ccnc2C)CC1 ZINC000346235252 466015156 /nfs/dbraw/zinc/01/51/56/466015156.db2.gz DQPUCMGZJTWYBD-LJQANCHMSA-N 1 3 344.507 2.183 10 0 EEAEHO Cc1nccn1CCN1CCC[C@@H]([N@@H+](C)CCn2ccnc2C)CC1 ZINC000346235252 466015159 /nfs/dbraw/zinc/01/51/59/466015159.db2.gz DQPUCMGZJTWYBD-LJQANCHMSA-N 1 3 344.507 2.183 10 0 EEAEHO Cc1nccn1CCN(C)[C@@H]1CCC[N@H+](CCn2ccnc2C)CC1 ZINC000346235252 466015161 /nfs/dbraw/zinc/01/51/61/466015161.db2.gz DQPUCMGZJTWYBD-LJQANCHMSA-N 1 3 344.507 2.183 10 0 EEAEHO Cc1nccn1CCN(C)[C@@H]1CCC[N@@H+](CCn2ccnc2C)CC1 ZINC000346235252 466015163 /nfs/dbraw/zinc/01/51/63/466015163.db2.gz DQPUCMGZJTWYBD-LJQANCHMSA-N 1 3 344.507 2.183 10 0 EEAEHO CN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349806809 466249121 /nfs/dbraw/zinc/24/91/21/466249121.db2.gz LBYLFQFRMGJBGI-PKOBYXMFSA-N 1 3 342.487 2.139 10 0 EEAEHO CN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000349806809 466249127 /nfs/dbraw/zinc/24/91/27/466249127.db2.gz LBYLFQFRMGJBGI-PKOBYXMFSA-N 1 3 342.487 2.139 10 0 EEAEHO COc1cccc(N2C[C@@H]([NH2+]C3CCN(C(C)C)CC3)CC2=O)c1 ZINC000370644418 466952334 /nfs/dbraw/zinc/95/23/34/466952334.db2.gz FNBVZELOJXUSCF-INIZCTEOSA-N 1 3 331.460 2.263 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC000365897162 466981546 /nfs/dbraw/zinc/98/15/46/466981546.db2.gz VORBTFDIPMCLHL-RVKKMQEKSA-N 1 3 327.488 2.388 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC000365897162 466981549 /nfs/dbraw/zinc/98/15/49/466981549.db2.gz VORBTFDIPMCLHL-RVKKMQEKSA-N 1 3 327.488 2.388 10 0 EEAEHO C[NH2+][C@H]1CCCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000418049702 467034454 /nfs/dbraw/zinc/03/44/54/467034454.db2.gz YKVNFELZQUJZIT-ICSRJNTNSA-N 1 3 344.503 2.435 10 0 EEAEHO CN(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418557455 467128838 /nfs/dbraw/zinc/12/88/38/467128838.db2.gz BAKITCCGXOTFSY-KURKYZTESA-N 1 3 330.476 2.172 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000382768124 467379246 /nfs/dbraw/zinc/37/92/46/467379246.db2.gz YUMCZRSNWNNBBJ-NEWSRXKRSA-N 1 3 329.488 2.484 10 0 EEAEHO C[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382760521 467379462 /nfs/dbraw/zinc/37/94/62/467379462.db2.gz JESPXNXLDSDLJU-IEBWSBKVSA-N 1 3 329.488 2.499 10 0 EEAEHO CN(C(=O)[C@H](C[NH3+])c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000386716388 467391068 /nfs/dbraw/zinc/39/10/68/467391068.db2.gz WTIGFWBUFDPJGN-VQTJNVASSA-N 1 3 337.467 2.462 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000398087019 467446786 /nfs/dbraw/zinc/44/67/86/467446786.db2.gz UPXIWPXLUDAGKC-BHIYHBOVSA-N 1 3 329.488 2.403 10 0 EEAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](O)C2CCOCC2)CC1 ZINC000449156017 467621337 /nfs/dbraw/zinc/62/13/37/467621337.db2.gz REDZHAXJTSTSGZ-UTKZUKDTSA-N 1 3 346.515 2.459 10 0 EEAEHO CCC[NH+]1CCC(CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)CC1 ZINC000458124808 467773171 /nfs/dbraw/zinc/77/31/71/467773171.db2.gz FUOMUFBFINWXQP-IBGZPJMESA-N 1 3 336.524 2.236 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000514671381 467947729 /nfs/dbraw/zinc/94/77/29/467947729.db2.gz HOSFBZDCCQASNT-WMZOPIPTSA-N 1 3 330.476 2.129 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000514671381 467947730 /nfs/dbraw/zinc/94/77/30/467947730.db2.gz HOSFBZDCCQASNT-WMZOPIPTSA-N 1 3 330.476 2.129 10 0 EEAEHO Cc1nc2ccc(C[NH2+]CCCN3CCC[C@@H](C(N)=O)C3)cc2s1 ZINC000494008234 468017162 /nfs/dbraw/zinc/01/71/62/468017162.db2.gz VOUWARXTQUXGNT-OAHLLOKOSA-N 1 3 346.500 2.282 10 0 EEAEHO CC(C)C1CC([NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)C1 ZINC000488427278 468086853 /nfs/dbraw/zinc/08/68/53/468086853.db2.gz BEJHKGWOKBGJBW-ACBHZAAOSA-N 1 3 331.504 2.300 10 0 EEAEHO CS[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccccc1 ZINC000597941726 468718859 /nfs/dbraw/zinc/71/88/59/468718859.db2.gz CZNRPHOHOYKPIM-RDJZCZTQSA-N 1 3 337.533 2.479 10 0 EEAEHO CS[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccccc1 ZINC000597941726 468718864 /nfs/dbraw/zinc/71/88/64/468718864.db2.gz CZNRPHOHOYKPIM-RDJZCZTQSA-N 1 3 337.533 2.479 10 0 EEAEHO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000595075253 468752690 /nfs/dbraw/zinc/75/26/90/468752690.db2.gz XPZNJFFQAFKRTB-MAUKXSAKSA-N 1 3 348.487 2.463 10 0 EEAEHO CN(C(=O)N[C@@H]1CCCN(C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000603593419 469415841 /nfs/dbraw/zinc/41/58/41/469415841.db2.gz GZTHAOWZUHQVAV-GOSISDBHSA-N 1 3 344.503 2.387 10 0 EEAEHO CC(C)(CNC(=O)Nc1ccc2c(c1)OCCNC2)C[NH+]1CCCC1 ZINC000625941677 469443424 /nfs/dbraw/zinc/44/34/24/469443424.db2.gz SENFPLSWWNLYPY-UHFFFAOYSA-N 1 3 346.475 2.412 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000629453886 469548309 /nfs/dbraw/zinc/54/83/09/469548309.db2.gz KTJAVYNQDZLBKO-MOPGFXCFSA-N 1 3 329.488 2.152 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000629453886 469548312 /nfs/dbraw/zinc/54/83/12/469548312.db2.gz KTJAVYNQDZLBKO-MOPGFXCFSA-N 1 3 329.488 2.152 10 0 EEAEHO CC(C)(C)N1CC[C@@H]1CNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000617010459 469570974 /nfs/dbraw/zinc/57/09/74/469570974.db2.gz PLMRWFFLFIPKAM-GOSISDBHSA-N 1 3 329.488 2.424 10 0 EEAEHO CC(C)(C)N1CC[C@@H]1CNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000617010459 469570982 /nfs/dbraw/zinc/57/09/82/469570982.db2.gz PLMRWFFLFIPKAM-GOSISDBHSA-N 1 3 329.488 2.424 10 0 EEAEHO CN(C(=O)N[C@H]1CC12CC[NH2+]CC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000612977862 469597798 /nfs/dbraw/zinc/59/77/98/469597798.db2.gz RCHWUJQEVMYBJY-ROUUACIJSA-N 1 3 342.487 2.044 10 0 EEAEHO CCCN1CCN(c2ccccc2CN[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000629660372 469601624 /nfs/dbraw/zinc/60/16/24/469601624.db2.gz SLAONZNEPFEBHV-MJGOQNOKSA-N 1 3 330.520 2.449 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(F)c(F)c(F)c1 ZINC000617505746 469704185 /nfs/dbraw/zinc/70/41/85/469704185.db2.gz OITMXHWVUDUZPG-NSHDSACASA-N 1 3 331.382 2.106 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(F)c(F)c(F)c1 ZINC000617505746 469704188 /nfs/dbraw/zinc/70/41/88/469704188.db2.gz OITMXHWVUDUZPG-NSHDSACASA-N 1 3 331.382 2.106 10 0 EEAEHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627131883 469820971 /nfs/dbraw/zinc/82/09/71/469820971.db2.gz XTYNPZATTOWBOD-KRWDZBQOSA-N 1 3 344.503 2.481 10 0 EEAEHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627133881 469820987 /nfs/dbraw/zinc/82/09/87/469820987.db2.gz DUYRVHYRNDOYCO-QGZVFWFLSA-N 1 3 330.476 2.044 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N(CCCc2ccccc2)CCN(C)C)C[NH2+]1 ZINC000627195501 469840299 /nfs/dbraw/zinc/84/02/99/469840299.db2.gz LGCUVNKDYFNEKF-MJGOQNOKSA-N 1 3 346.519 2.333 10 0 EEAEHO CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000646911549 470772783 /nfs/dbraw/zinc/77/27/83/470772783.db2.gz AMBQMWZOLVELNO-OALUTQOASA-N 1 3 327.472 2.449 10 0 EEAEHO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000647068426 470818750 /nfs/dbraw/zinc/81/87/50/470818750.db2.gz UOOSZYJRQRWDQT-PMPSAXMXSA-N 1 3 333.476 2.405 10 0 EEAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCCNC2=O)CC1 ZINC000657276326 471082135 /nfs/dbraw/zinc/08/21/35/471082135.db2.gz AUYLHZIUOJBBFZ-AEFFLSMTSA-N 1 3 329.488 2.198 10 0 EEAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cccc4nccn43)cc2)C1 ZINC000657594494 471178232 /nfs/dbraw/zinc/17/82/32/471178232.db2.gz AUROIYGJBRCCOC-IBGZPJMESA-N 1 3 336.439 2.191 10 0 EEAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cccc4nccn43)cc2)C1 ZINC000657594494 471178236 /nfs/dbraw/zinc/17/82/36/471178236.db2.gz AUROIYGJBRCCOC-IBGZPJMESA-N 1 3 336.439 2.191 10 0 EEAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2)C1 ZINC000657596871 471180106 /nfs/dbraw/zinc/18/01/06/471180106.db2.gz PCHFBCAGLHOZQS-RBUKOAKNSA-N 1 3 330.472 2.445 10 0 EEAEHO CN1CCN(Cc2ccccc2)[C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000657801383 471235934 /nfs/dbraw/zinc/23/59/34/471235934.db2.gz QJBPIVQMDYFMGB-PCCBWWKXSA-N 1 3 342.531 2.019 10 0 EEAEHO CN1CCN(Cc2ccccc2)[C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000657801383 471235938 /nfs/dbraw/zinc/23/59/38/471235938.db2.gz QJBPIVQMDYFMGB-PCCBWWKXSA-N 1 3 342.531 2.019 10 0 EEAEHO [NH3+]CC1(CCNC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000652117157 471237996 /nfs/dbraw/zinc/23/79/96/471237996.db2.gz DQSVWJGBYDDHJB-QGZVFWFLSA-N 1 3 330.476 2.252 10 0 EEAEHO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)CS1 ZINC000655709233 471451679 /nfs/dbraw/zinc/45/16/79/471451679.db2.gz ZRXUSENBUIXJAZ-PBHICJAKSA-N 1 3 335.517 2.352 10 0 EEAEHO CC(C)[NH+]1CCC(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659028790 471474007 /nfs/dbraw/zinc/47/40/07/471474007.db2.gz PJWMJAXXFCKBFQ-SFHVURJKSA-N 1 3 346.475 2.342 10 0 EEAEHO CCC[N@H+](CC)CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659036367 471477976 /nfs/dbraw/zinc/47/79/76/471477976.db2.gz RHCHTODUARAXQA-KRWDZBQOSA-N 1 3 334.464 2.201 10 0 EEAEHO CCC[N@@H+](CC)CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659036367 471477979 /nfs/dbraw/zinc/47/79/79/471477979.db2.gz RHCHTODUARAXQA-KRWDZBQOSA-N 1 3 334.464 2.201 10 0 EEAEHO C[C@H](NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C(C)(C)C[NH+](C)C ZINC000659039604 471483112 /nfs/dbraw/zinc/48/31/12/471483112.db2.gz LTHSMQNSKBXZEN-YOEHRIQHSA-N 1 3 348.491 2.445 10 0 EEAEHO CC[C@H](C)N[C@H](CNC(=O)N(CC)[C@H]1CC[N@H+](C)C1)c1ccco1 ZINC000664875127 471887042 /nfs/dbraw/zinc/88/70/42/471887042.db2.gz WAVBQBNDNKMCMG-HRCADAONSA-N 1 3 336.480 2.444 10 0 EEAEHO CC[C@H](C)N[C@H](CNC(=O)N(CC)[C@H]1CC[N@@H+](C)C1)c1ccco1 ZINC000664875127 471887044 /nfs/dbraw/zinc/88/70/44/471887044.db2.gz WAVBQBNDNKMCMG-HRCADAONSA-N 1 3 336.480 2.444 10 0 EEAEHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667789601 471905052 /nfs/dbraw/zinc/90/50/52/471905052.db2.gz SWTJWYIXSRGWFM-NHCUHLMSSA-N 1 3 343.515 2.481 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000654346139 471920692 /nfs/dbraw/zinc/92/06/92/471920692.db2.gz LEUMGQLDBVHKFI-IZAXUBKRSA-N 1 3 344.503 2.290 10 0 EEAEHO CC(C)C[N@H+](C)CCCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000651194437 485532268 /nfs/dbraw/zinc/53/22/68/485532268.db2.gz GRBPSQGISDGDBR-INIZCTEOSA-N 1 3 326.529 2.336 10 0 EEAEHO CC(C)C[N@@H+](C)CCCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000651194437 485532275 /nfs/dbraw/zinc/53/22/75/485532275.db2.gz GRBPSQGISDGDBR-INIZCTEOSA-N 1 3 326.529 2.336 10 0 EEAEHO CCC[C@H](C)CCCN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000629542875 485730659 /nfs/dbraw/zinc/73/06/59/485730659.db2.gz OADCJISWPPQGSL-JQHSSLGASA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000181052518 534026794 /nfs/dbraw/zinc/02/67/94/534026794.db2.gz CJIBJEFCHDPYNY-MJGOQNOKSA-N 1 3 342.487 2.163 10 0 EEAEHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000181052518 534026800 /nfs/dbraw/zinc/02/68/00/534026800.db2.gz CJIBJEFCHDPYNY-MJGOQNOKSA-N 1 3 342.487 2.163 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(CC)c3)C[C@H]21 ZINC001485623472 1191866640 /nfs/dbraw/zinc/86/66/40/1191866640.db2.gz LDIBVIQJEBMUFR-OWZKRDHZSA-N 1 3 343.515 2.385 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(CC)c3)C[C@H]21 ZINC001485623472 1191866642 /nfs/dbraw/zinc/86/66/42/1191866642.db2.gz LDIBVIQJEBMUFR-OWZKRDHZSA-N 1 3 343.515 2.385 10 0 EEAEHO CC(C)OCCCN1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001266251375 1176026689 /nfs/dbraw/zinc/02/66/89/1176026689.db2.gz CAZNORWJAZZMMP-SFHVURJKSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@H](c1cccc(F)c1)N(C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480865869 1176138634 /nfs/dbraw/zinc/13/86/34/1176138634.db2.gz QXOIZWYBYXDIRZ-KDOFPFPSSA-N 1 3 333.451 2.277 10 0 EEAEHO CN(C)C1(C(=O)N(C)CC[NH2+]CC[C@H]2CC2(Cl)Cl)CCC1 ZINC001266724620 1177308983 /nfs/dbraw/zinc/30/89/83/1177308983.db2.gz VNJFOCPOUNEUBI-LBPRGKRZSA-N 1 3 336.307 2.103 10 0 EEAEHO CN(CC(=O)N1CCCC[C@H]1C[NH2+]CCOC1CCC1)C1CCC1 ZINC001266870962 1177658407 /nfs/dbraw/zinc/65/84/07/1177658407.db2.gz RFEXYMJJWRMCDC-KRWDZBQOSA-N 1 3 337.508 2.011 10 0 EEAEHO O=C(C1CC[NH+](CC2CC2)CC1)N1CCCC[C@@H]1CNCCF ZINC001266879437 1177692187 /nfs/dbraw/zinc/69/21/87/1177692187.db2.gz ABWCLCJTHXEOKP-QGZVFWFLSA-N 1 3 325.472 2.049 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001266995605 1178053534 /nfs/dbraw/zinc/05/35/34/1178053534.db2.gz VMADJEKUGCYJOY-HIFRSBDPSA-N 1 3 338.883 2.204 10 0 EEAEHO CC(C)(C(=O)NC[C@H]1CCCN1CCOC1CCC1)[NH+]1CCCC1 ZINC001481052224 1179633669 /nfs/dbraw/zinc/63/36/69/1179633669.db2.gz LHCDXOFNBFNGAU-MRXNPFEDSA-N 1 3 337.508 2.011 10 0 EEAEHO CN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001481279306 1180744621 /nfs/dbraw/zinc/74/46/21/1180744621.db2.gz HIUCHFSVIKVEOX-MRXNPFEDSA-N 1 3 349.441 2.292 10 0 EEAEHO Cc1nc(CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)cs1 ZINC001268067442 1181662081 /nfs/dbraw/zinc/66/20/81/1181662081.db2.gz DQZQMWZGDZAHLI-BBRMVZONSA-N 1 3 340.537 2.017 10 0 EEAEHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNCc1cccnc1 ZINC001268596226 1183443755 /nfs/dbraw/zinc/44/37/55/1183443755.db2.gz MGVMAAONEHPZQQ-PYTPGESOSA-N 1 3 330.476 2.107 10 0 EEAEHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNCc1cccnc1 ZINC001268596226 1183443758 /nfs/dbraw/zinc/44/37/58/1183443758.db2.gz MGVMAAONEHPZQQ-PYTPGESOSA-N 1 3 330.476 2.107 10 0 EEAEHO CCOCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC001269989124 1184767713 /nfs/dbraw/zinc/76/77/13/1184767713.db2.gz MPWDLWVOYHPDSE-QFBILLFUSA-N 1 3 347.503 2.367 10 0 EEAEHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC[C@H]1CCOC1 ZINC001482545349 1186640544 /nfs/dbraw/zinc/64/05/44/1186640544.db2.gz PSXUMGCFYNTUJJ-DLBZAZTESA-N 1 3 339.524 2.018 10 0 EEAEHO CN(CC[N@H+](C)CC1CCC(F)(F)CC1)C(=O)CN1CCCC1 ZINC001482648964 1187479587 /nfs/dbraw/zinc/47/95/87/1187479587.db2.gz DFAONRHUIQRIDF-UHFFFAOYSA-N 1 3 331.451 2.298 10 0 EEAEHO CN(CC[N@@H+](C)CC1CCC(F)(F)CC1)C(=O)CN1CCCC1 ZINC001482648964 1187479590 /nfs/dbraw/zinc/47/95/90/1187479590.db2.gz DFAONRHUIQRIDF-UHFFFAOYSA-N 1 3 331.451 2.298 10 0 EEAEHO CC[C@H](C(=O)NC/C=C/C[NH2+][C@H]1CCc2c1cccc2F)N(C)C ZINC001483022908 1188012369 /nfs/dbraw/zinc/01/23/69/1188012369.db2.gz LUULYNKAVWAUKB-HQYUYXFKSA-N 1 3 333.451 2.415 10 0 EEAEHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCc2c1cc(F)cc2F)N(C)C ZINC001483167232 1189003476 /nfs/dbraw/zinc/00/34/76/1189003476.db2.gz GCOQHZDQAZDBPO-LQAWEQHXSA-N 1 3 339.430 2.387 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C)nc1C ZINC001483197376 1189083015 /nfs/dbraw/zinc/08/30/15/1189083015.db2.gz HNUPXHGDZNDUHR-CRAIPNDOSA-N 1 3 332.492 2.167 10 0 EEAEHO Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001485882915 1193628645 /nfs/dbraw/zinc/62/86/45/1193628645.db2.gz XOTPPZYXIYTSBR-HNNXBMFYSA-N 1 3 349.523 2.193 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1cccc2c1CCOC2 ZINC001409682226 1190182234 /nfs/dbraw/zinc/18/22/34/1190182234.db2.gz GPTWJJHLAWVMNA-MRXNPFEDSA-N 1 3 347.503 2.036 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc2c1CCOC2 ZINC001409682226 1190182237 /nfs/dbraw/zinc/18/22/37/1190182237.db2.gz GPTWJJHLAWVMNA-MRXNPFEDSA-N 1 3 347.503 2.036 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cn(C(C)C)nc2C)C[C@@H]1C ZINC001486130738 1193689915 /nfs/dbraw/zinc/68/99/15/1193689915.db2.gz SJXXKEUNYWGZFY-MAUKXSAKSA-N 1 3 349.523 2.193 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NCC2(NCc3ccc4cc[nH]c4c3)CC2)C1 ZINC001483784400 1191026272 /nfs/dbraw/zinc/02/62/72/1191026272.db2.gz SMYBWHYFHKBJPD-INIZCTEOSA-N 1 3 340.471 2.248 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NCC2(NCc3ccc4cc[nH]c4c3)CC2)C1 ZINC001483784400 1191026275 /nfs/dbraw/zinc/02/62/75/1191026275.db2.gz SMYBWHYFHKBJPD-INIZCTEOSA-N 1 3 340.471 2.248 10 0 EEAEHO Cc1csc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@H](C)C2)n1 ZINC001483914358 1191114662 /nfs/dbraw/zinc/11/46/62/1191114662.db2.gz NNOBMEHGSVIJMZ-HUUCEWRRSA-N 1 3 338.521 2.261 10 0 EEAEHO Cc1ncccc1C[NH2+]C[C@]1(C)CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001484116106 1191218276 /nfs/dbraw/zinc/21/82/76/1191218276.db2.gz VUDJJILGGANTNO-UZLBHIALSA-N 1 3 344.503 2.060 10 0 EEAEHO C[C@@H](F)CC[N@@H+]1CCC[C@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001484161724 1191249678 /nfs/dbraw/zinc/24/96/78/1191249678.db2.gz YTFKBBONYUCATE-CRAIPNDOSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@@H](F)CC[N@H+]1CCC[C@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001484161724 1191249679 /nfs/dbraw/zinc/24/96/79/1191249679.db2.gz YTFKBBONYUCATE-CRAIPNDOSA-N 1 3 327.488 2.437 10 0 EEAEHO CCC1([NH2+]Cc2conc2C)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001484820078 1191539724 /nfs/dbraw/zinc/53/97/24/1191539724.db2.gz FGBYOZXSOVUWBC-UHFFFAOYSA-N 1 3 336.480 2.184 10 0 EEAEHO CC(C)=CC[NH2+]CCCOC1CCN(C(=O)CN2CCCC2)CC1 ZINC001485444101 1191787337 /nfs/dbraw/zinc/78/73/37/1191787337.db2.gz VTSCUXLKYUZCJJ-UHFFFAOYSA-N 1 3 337.508 2.036 10 0 EEAEHO CC(C)(C(=O)NCC1=CCN(CCOC2CCC2)CC1)[NH+]1CCCC1 ZINC001486512658 1194031536 /nfs/dbraw/zinc/03/15/36/1194031536.db2.gz IRACBWIFNLUXEW-UHFFFAOYSA-N 1 3 349.519 2.178 10 0 EEAEHO C[C@@H]1CC[C@@H](CN2CC=C(CNC(=O)CC[NH+]3CCCCC3)CC2)O1 ZINC001486520544 1194042154 /nfs/dbraw/zinc/04/21/54/1194042154.db2.gz DVHXBFFKZXGMRJ-MJGOQNOKSA-N 1 3 349.519 2.178 10 0 EEAEHO C[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21)N1CCCCCC1 ZINC001410107783 1197551910 /nfs/dbraw/zinc/55/19/10/1197551910.db2.gz FRLXBAMCOCPTLT-OWYHZJEWSA-N 1 3 333.520 2.345 10 0 EEAEHO C[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21)N1CCCCCC1 ZINC001410107783 1197551911 /nfs/dbraw/zinc/55/19/11/1197551911.db2.gz FRLXBAMCOCPTLT-OWYHZJEWSA-N 1 3 333.520 2.345 10 0 EEAEHO COc1ccc(C)cc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001410872730 1198525514 /nfs/dbraw/zinc/52/55/14/1198525514.db2.gz XQAHDSUXJUQJGD-SJLPKXTDSA-N 1 3 347.503 2.423 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]C[C@@H](O)c1ccccc1)C(C)(C)C ZINC001411222278 1198932246 /nfs/dbraw/zinc/93/22/46/1198932246.db2.gz KGLHDQLQLDTTQB-MSOLQXFVSA-N 1 3 349.519 2.181 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000810429005 1199507182 /nfs/dbraw/zinc/50/71/82/1199507182.db2.gz UBMVSZJKROZDLQ-CRAIPNDOSA-N 1 3 325.472 2.143 10 0 EEAEHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)CC[C@@H]21 ZINC000810580041 1199604740 /nfs/dbraw/zinc/60/47/40/1199604740.db2.gz LOEBGUXMPPXKLX-VKJFTORMSA-N 1 3 325.472 2.142 10 0 EEAEHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)CC[C@@H]21 ZINC000810580041 1199604743 /nfs/dbraw/zinc/60/47/43/1199604743.db2.gz LOEBGUXMPPXKLX-VKJFTORMSA-N 1 3 325.472 2.142 10 0 EEAEHO C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CCC1(C)C ZINC000871153732 1201073075 /nfs/dbraw/zinc/07/30/75/1201073075.db2.gz TVCUPOCGVBHRLA-GOSISDBHSA-N 1 3 344.503 2.236 10 0 EEAEHO C[N@H+]1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CCC1(C)C ZINC000871153732 1201073081 /nfs/dbraw/zinc/07/30/81/1201073081.db2.gz TVCUPOCGVBHRLA-GOSISDBHSA-N 1 3 344.503 2.236 10 0 EEAEHO Cc1ccccc1CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCN1C ZINC001274263211 1204980015 /nfs/dbraw/zinc/98/00/15/1204980015.db2.gz OFJKEUDUHSSNEN-SFFCAUCYSA-N 1 3 329.488 2.284 10 0 EEAEHO CN(CCC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)[C@H]1CCCN1C ZINC001276173122 1205813813 /nfs/dbraw/zinc/81/38/13/1205813813.db2.gz BLWNEUXWQZFZON-GOSISDBHSA-N 1 3 328.460 2.200 10 0 EEAEHO CCn1nc(C)c([C@H](C)NCC2([NH+]3CCCCC3)CCN(C)CC2)n1 ZINC000925155060 1206077328 /nfs/dbraw/zinc/07/73/28/1206077328.db2.gz KHVMCLZFROUCFL-INIZCTEOSA-N 1 3 348.539 2.207 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)CCN1C ZINC000925340022 1206099393 /nfs/dbraw/zinc/09/93/93/1206099393.db2.gz AWRMUDRYINQMBX-QRQLOZEOSA-N 1 3 344.503 2.037 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)CCN1C ZINC000925340022 1206099395 /nfs/dbraw/zinc/09/93/95/1206099395.db2.gz AWRMUDRYINQMBX-QRQLOZEOSA-N 1 3 344.503 2.037 10 0 EEAEHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2cccc(NS(C)(=O)=O)c2)C1 ZINC000925525539 1206123200 /nfs/dbraw/zinc/12/32/00/1206123200.db2.gz HUTDESLOUSRSFE-ZFWWWQNUSA-N 1 3 325.478 2.054 10 0 EEAEHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)CC[C@@H](O)c3ccccc3)CC[C@@H]21 ZINC000929848982 1206508847 /nfs/dbraw/zinc/50/88/47/1206508847.db2.gz VKYANMGHEZWZGT-YSTOQKLRSA-N 1 3 332.488 2.277 10 0 EEAEHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)CC[C@@H](O)c3ccccc3)CC[C@@H]21 ZINC000929848982 1206508848 /nfs/dbraw/zinc/50/88/48/1206508848.db2.gz VKYANMGHEZWZGT-YSTOQKLRSA-N 1 3 332.488 2.277 10 0 EEAEHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)CC[C@@H](O)c3ccccc3)CC[C@@H]21 ZINC000929848982 1206508850 /nfs/dbraw/zinc/50/88/50/1206508850.db2.gz VKYANMGHEZWZGT-YSTOQKLRSA-N 1 3 332.488 2.277 10 0 EEAEHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)CC[C@@H](O)c3ccccc3)CC[C@@H]21 ZINC000929848982 1206508853 /nfs/dbraw/zinc/50/88/53/1206508853.db2.gz VKYANMGHEZWZGT-YSTOQKLRSA-N 1 3 332.488 2.277 10 0 EEAEHO C[C@@H](C(=O)N(C)C)N(C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930859296 1206588280 /nfs/dbraw/zinc/58/82/80/1206588280.db2.gz TUEXBBODGVOAJX-BBWFWOEESA-N 1 3 347.503 2.204 10 0 EEAEHO C[C@@H](C(=O)N(C)C)N(C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930859296 1206588281 /nfs/dbraw/zinc/58/82/81/1206588281.db2.gz TUEXBBODGVOAJX-BBWFWOEESA-N 1 3 347.503 2.204 10 0 EEAEHO C[C@@H](C(=O)N(C)C)[N@H+](C)Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930859296 1206588283 /nfs/dbraw/zinc/58/82/83/1206588283.db2.gz TUEXBBODGVOAJX-BBWFWOEESA-N 1 3 347.503 2.204 10 0 EEAEHO C[C@@H](C(=O)N(C)C)[N@@H+](C)Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930859296 1206588284 /nfs/dbraw/zinc/58/82/84/1206588284.db2.gz TUEXBBODGVOAJX-BBWFWOEESA-N 1 3 347.503 2.204 10 0 EEAEHO COc1ccc([C@@H](NC(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)C(C)C)cc1 ZINC000903495895 1240668925 /nfs/dbraw/zinc/66/89/25/1240668925.db2.gz BIJVKBKAUSFEMT-MDYRTPRTSA-N 1 3 347.503 2.425 10 0 EEAEHO COc1ccc(CN(C)C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1C ZINC000903888409 1242339349 /nfs/dbraw/zinc/33/93/49/1242339349.db2.gz BIKWSYXKQZMNGI-KRWDZBQOSA-N 1 3 330.476 2.295 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN2CC[C@@H](c3cccc(F)c3)C2)cnn1C ZINC000903890305 1242347417 /nfs/dbraw/zinc/34/74/17/1242347417.db2.gz BVINHNYALWCQHJ-NVXWUHKLSA-N 1 3 330.451 2.475 10 0 EEAEHO Cc1c(C[C@@H](CN)C[NH2+]C[C@@H](c2cccnc2)C(C)C)cnn1C ZINC000903922741 1242514354 /nfs/dbraw/zinc/51/43/54/1242514354.db2.gz DDULNCGVAJJUPX-QFBILLFUSA-N 1 3 329.492 2.270 10 0 EEAEHO CC[C@@H](CNCc1cnnn1[C@H]1CCC[NH2+]C1)Oc1ccccc1C ZINC000903923487 1242517242 /nfs/dbraw/zinc/51/72/42/1242517242.db2.gz VIYDUXXTWHVCQF-WMZOPIPTSA-N 1 3 343.475 2.458 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CNCCc2csc(C(C)C)n2)cnn1C ZINC000903925540 1242520738 /nfs/dbraw/zinc/52/07/38/1242520738.db2.gz NTFABORZRJUHFD-CQSZACIVSA-N 1 3 335.521 2.258 10 0 EEAEHO Cc1c(C[C@H](CN)C[NH2+]CCc2csc(C(C)C)n2)cnn1C ZINC000903925540 1242520748 /nfs/dbraw/zinc/52/07/48/1242520748.db2.gz NTFABORZRJUHFD-CQSZACIVSA-N 1 3 335.521 2.258 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN(Cc2ccc(C)nc2)CC2CC2)cnn1C ZINC000903932266 1242554156 /nfs/dbraw/zinc/55/41/56/1242554156.db2.gz PZGCRTMZIQEWEL-LJQANCHMSA-N 1 3 341.503 2.462 10 0 EEAEHO CC(C)(C(=O)N[C@H]1C[C@@H](NCC=C(Cl)Cl)C1)[NH+]1CCCC1 ZINC001491041890 1258598841 /nfs/dbraw/zinc/59/88/41/1258598841.db2.gz IQKBHRHULLVJSP-TXEJJXNPSA-N 1 3 334.291 2.417 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2C[C@@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001491056160 1258625173 /nfs/dbraw/zinc/62/51/73/1258625173.db2.gz UQNBNQDVZXGAQR-CYVPDDSESA-N 1 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ZINC000856604695 1293578938 /nfs/dbraw/zinc/57/89/38/1293578938.db2.gz PQRLKFWBGWWCPJ-IBGZPJMESA-N 1 3 343.475 2.341 10 0 EEAEHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931377325 1297165047 /nfs/dbraw/zinc/16/50/47/1297165047.db2.gz WCDRLUQLYRLUCN-HOTGVXAUSA-N 1 3 330.476 2.443 10 0 EEAEHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931377325 1297165054 /nfs/dbraw/zinc/16/50/54/1297165054.db2.gz WCDRLUQLYRLUCN-HOTGVXAUSA-N 1 3 330.476 2.443 10 0 EEAEHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@@]1(C)C[N@H+](CCCCCF)C2 ZINC001276905702 1300199932 /nfs/dbraw/zinc/19/99/32/1300199932.db2.gz DDSCYXFBJUEFRY-HDICACEKSA-N 1 3 336.455 2.262 10 0 EEAEHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@@]1(C)C[N@@H+](CCCCCF)C2 ZINC001276905702 1300199937 /nfs/dbraw/zinc/19/99/37/1300199937.db2.gz DDSCYXFBJUEFRY-HDICACEKSA-N 1 3 336.455 2.262 10 0 EEAEHO Cc1ccc(C)c(OCC[NH2+][C@@H](C)CN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001277946070 1305235119 /nfs/dbraw/zinc/23/51/19/1305235119.db2.gz 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CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(CCCOC(C)C)C2)C1 ZINC001265299858 1323051179 /nfs/dbraw/zinc/05/11/79/1323051179.db2.gz VHZKOBBIYTVUSM-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(CCCOC(C)C)C2)C1 ZINC001265299858 1323051188 /nfs/dbraw/zinc/05/11/88/1323051188.db2.gz VHZKOBBIYTVUSM-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001265446486 1323160468 /nfs/dbraw/zinc/16/04/68/1323160468.db2.gz IXYOAAJPLHZXKW-QUCCMNQESA-N 1 3 343.515 2.460 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]C/C=C/c2ccccc2)C1 ZINC001282076651 1325612610 /nfs/dbraw/zinc/61/26/10/1325612610.db2.gz XMGPGPVUJHFWJC-VMPITWQZSA-N 1 3 338.455 2.458 10 0 EEAEHO CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001491965213 1330360195 /nfs/dbraw/zinc/36/01/95/1330360195.db2.gz HSKHPEPDZNBTFU-LJQANCHMSA-N 1 3 347.503 2.321 10 0 EEAEHO CCOCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001491965213 1330360198 /nfs/dbraw/zinc/36/01/98/1330360198.db2.gz HSKHPEPDZNBTFU-LJQANCHMSA-N 1 3 347.503 2.321 10 0 EEAEHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1conc1C)N(C)C ZINC001492176323 1331055130 /nfs/dbraw/zinc/05/51/30/1331055130.db2.gz WQEKTEXSCZWVQF-SJORKVTESA-N 1 3 336.480 2.184 10 0 EEAEHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1conc1C)N(C)C ZINC001492176323 1331055135 /nfs/dbraw/zinc/05/51/35/1331055135.db2.gz WQEKTEXSCZWVQF-SJORKVTESA-N 1 3 336.480 2.184 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCCF)C1 ZINC001316703530 1331825794 /nfs/dbraw/zinc/82/57/94/1331825794.db2.gz GZDVWCVDVPEWJN-ZACQAIPSSA-N 1 3 327.488 2.295 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCCF)C1 ZINC001316703530 1331825798 /nfs/dbraw/zinc/82/57/98/1331825798.db2.gz GZDVWCVDVPEWJN-ZACQAIPSSA-N 1 3 327.488 2.295 10 0 EEAEHO CCOCCN1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001316946760 1332008524 /nfs/dbraw/zinc/00/85/24/1332008524.db2.gz CMVGUIAWUVQTAD-KRWDZBQOSA-N 1 3 339.524 2.258 10 0 EEAEHO CCOCCN1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001316946760 1332008526 /nfs/dbraw/zinc/00/85/26/1332008526.db2.gz CMVGUIAWUVQTAD-KRWDZBQOSA-N 1 3 339.524 2.258 10 0 EEAEHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1ccnc(Cl)c1)C1CC1)N(C)C ZINC001317028029 1332049485 /nfs/dbraw/zinc/04/94/85/1332049485.db2.gz APFYQSTUMLYOIE-LSDHHAIUSA-N 1 3 338.883 2.060 10 0 EEAEHO Cc1ccccc1OCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001317239663 1332148484 /nfs/dbraw/zinc/14/84/84/1332148484.db2.gz CYVLCLPCUIUQMV-QZTJIDSGSA-N 1 3 347.503 2.341 10 0 EEAEHO CCCCOCCN1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001318423148 1332529738 /nfs/dbraw/zinc/52/97/38/1332529738.db2.gz CITVFXPZQKDWLP-BZSNNMDCSA-N 1 3 339.524 2.066 10 0 EEAEHO CCCCOCCN1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001318423148 1332529742 /nfs/dbraw/zinc/52/97/42/1332529742.db2.gz CITVFXPZQKDWLP-BZSNNMDCSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1ncc(C[NH2+]CCC2CCN(C(=O)[C@@H]3CCCCN3C)CC2)o1 ZINC001318909375 1332622016 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C[C@H](NC/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1cccc(F)c1 ZINC001321064753 1333009671 /nfs/dbraw/zinc/00/96/71/1333009671.db2.gz OPVVCLLWOCHTFF-LAPPRRJPSA-N 1 3 345.462 2.491 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001321189691 1333040880 /nfs/dbraw/zinc/04/08/80/1333040880.db2.gz PJKGJRLNNCTITO-IAFRVXFPSA-N 1 3 331.435 2.169 10 0 EEAEHO C[C@@H](NC/C=C\CNC(=O)C1(C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001321211904 1333046183 /nfs/dbraw/zinc/04/61/83/1333046183.db2.gz UFXYXGNTFJZULU-FOSCPCJNSA-N 1 3 333.451 2.491 10 0 EEAEHO Cc1ccccc1CCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001324232425 1333639552 /nfs/dbraw/zinc/63/95/52/1333639552.db2.gz BMBNURYJAVBEOL-IBGZPJMESA-N 1 3 340.471 2.474 10 0 EEAEHO C[C@@]1(C[NH2+]Cc2ccc(Cl)nc2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001324796891 1333761616 /nfs/dbraw/zinc/76/16/16/1333761616.db2.gz DGSUJMSMEZOWSB-KRWDZBQOSA-N 1 3 347.850 2.029 10 0 EEAEHO CCOCC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001328509824 1334470795 /nfs/dbraw/zinc/47/07/95/1334470795.db2.gz OHTJPMGESQWNPN-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001329173952 1334600445 /nfs/dbraw/zinc/60/04/45/1334600445.db2.gz SZIAQYNKXSKGRO-STQMWFEESA-N 1 3 326.872 2.060 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)cc1 ZINC001331942645 1335682955 /nfs/dbraw/zinc/68/29/55/1335682955.db2.gz DFXGUOUOYAGYDV-PKOBYXMFSA-N 1 3 347.503 2.293 10 0 EEAEHO COCCC[NH2+]C[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001480305585 1337980504 /nfs/dbraw/zinc/98/05/04/1337980504.db2.gz TVBJVMXPMRWDHU-GOSISDBHSA-N 1 3 347.503 2.227 10 0 EEAEHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CN(C)CC2(C)C)cc1 ZINC001434381044 1341834660 /nfs/dbraw/zinc/83/46/60/1341834660.db2.gz NHACVADPEQTUFV-SFHVURJKSA-N 1 3 347.503 2.477 10 0 EEAEHO Cc1nocc1C[N@H+]1CCC[C@@H]1CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001567259803 1342724343 /nfs/dbraw/zinc/72/43/43/1342724343.db2.gz IZKSIAOBWPFOFY-QAPCUYQASA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1nocc1C[N@@H+]1CCC[C@@H]1CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001567259803 1342724346 /nfs/dbraw/zinc/72/43/46/1342724346.db2.gz IZKSIAOBWPFOFY-QAPCUYQASA-N 1 3 348.491 2.186 10 0 EEAEHO C[C@H](CCC[NH2+]Cc1cnn(C)c1)NC(=O)C(C)(C)N1CCCCC1 ZINC001571257940 1343171292 /nfs/dbraw/zinc/17/12/92/1343171292.db2.gz UUSAPAMTMISWMN-MRXNPFEDSA-N 1 3 349.523 2.059 10 0 EEAEHO CCOCC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C(C)(C)C ZINC001571625174 1343254735 /nfs/dbraw/zinc/25/47/35/1343254735.db2.gz XXNGJMWEMQZHMH-MRXNPFEDSA-N 1 3 341.540 2.408 10 0 EEAEHO COCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CC1(C)C ZINC001676999113 1357258794 /nfs/dbraw/zinc/25/87/94/1357258794.db2.gz RLJWZXUEMYJUNN-SJORKVTESA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCN(C)Cc3ccccc3)C[N@@H+]2C1 ZINC001646935684 1353057435 /nfs/dbraw/zinc/05/74/35/1353057435.db2.gz OGOLTXWJEXHPAN-BHIYHBOVSA-N 1 3 329.488 2.355 10 0 EEAEHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCN(C)Cc3ccccc3)C[N@H+]2C1 ZINC001646935684 1353057440 /nfs/dbraw/zinc/05/74/40/1353057440.db2.gz OGOLTXWJEXHPAN-BHIYHBOVSA-N 1 3 329.488 2.355 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCCc3ccsc3)C2)C1 ZINC001662685611 1354825673 /nfs/dbraw/zinc/82/56/73/1354825673.db2.gz MNBQUOFZLQJSIK-WMZOPIPTSA-N 1 3 349.544 2.461 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(Cl)n2)C1 ZINC001662716769 1354830610 /nfs/dbraw/zinc/83/06/10/1354830610.db2.gz BZBDTTLWHAVDCS-CQSZACIVSA-N 1 3 338.883 2.015 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCc1ccc(CC[NH2+]CCF)cc1 ZINC001662818749 1354853851 /nfs/dbraw/zinc/85/38/51/1354853851.db2.gz PAGLSULWJSIWDB-GOSISDBHSA-N 1 3 335.467 2.279 10 0 EEAEHO CC(C)OCCCN1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001665597210 1355330746 /nfs/dbraw/zinc/33/07/46/1355330746.db2.gz STTRGXWDGXLVGA-MSOLQXFVSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1cncc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001666092915 1355447996 /nfs/dbraw/zinc/44/79/96/1355447996.db2.gz KMOMHKPZAIXYHR-PKOBYXMFSA-N 1 3 344.503 2.203 10 0 EEAEHO CC[C@@H](C[NH2+]CC[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)OC ZINC001666115262 1355455830 /nfs/dbraw/zinc/45/58/30/1355455830.db2.gz LHMQVWAGEJFLEH-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1NCc1cscn1 ZINC001667210099 1355674316 /nfs/dbraw/zinc/67/43/16/1355674316.db2.gz DSJKQINXLAWSBX-ZBFHGGJFSA-N 1 3 338.521 2.202 10 0 EEAEHO CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]CC1CCOCC1)N(C)C ZINC001667285795 1355698888 /nfs/dbraw/zinc/69/88/88/1355698888.db2.gz VDFYSMGAGPZFNV-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ncc(CNCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC001668325911 1355923918 /nfs/dbraw/zinc/92/39/18/1355923918.db2.gz MYBNNUFMUURZEO-PBHICJAKSA-N 1 3 336.480 2.088 10 0 EEAEHO COCCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001669882854 1356232422 /nfs/dbraw/zinc/23/24/22/1356232422.db2.gz RDOHMHXTYPDHTL-CRAIPNDOSA-N 1 3 345.503 2.062 10 0 EEAEHO COCCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001669882854 1356232425 /nfs/dbraw/zinc/23/24/25/1356232425.db2.gz RDOHMHXTYPDHTL-CRAIPNDOSA-N 1 3 345.503 2.062 10 0 EEAEHO COCCC[NH2+]C1(C)CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001674001432 1356769125 /nfs/dbraw/zinc/76/91/25/1356769125.db2.gz CFYYAILVVYGPQH-UHFFFAOYSA-N 1 3 347.503 2.369 10 0 EEAEHO Cc1ccncc1C[NH2+]CCC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001675972951 1357079468 /nfs/dbraw/zinc/07/94/68/1357079468.db2.gz CJPACFBMLNCOIV-WBVHZDCISA-N 1 3 332.492 2.106 10 0 EEAEHO CC[C@H](C(=O)N1CCC(CC[NH2+]C[C@H]2CCCCO2)CC1)N(C)C ZINC001698700789 1405018366 /nfs/dbraw/zinc/01/83/66/1405018366.db2.gz AWIHKQPYWMCQES-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H](C[NH2+]CC[C@@H]1CCCO1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001698861296 1405116559 /nfs/dbraw/zinc/11/65/59/1405116559.db2.gz OQODLFCITZKFLX-APWZRJJASA-N 1 3 347.503 2.367 10 0 EEAEHO COCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001698954414 1405186615 /nfs/dbraw/zinc/18/66/15/1405186615.db2.gz UEFYXINAWSSWCQ-LPHOPBHVSA-N 1 3 347.503 2.225 10 0 EEAEHO COCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001699012418 1405226628 /nfs/dbraw/zinc/22/66/28/1405226628.db2.gz DOTIHHLOIMWLAG-IAGOWNOFSA-N 1 3 339.524 2.162 10 0 EEAEHO Cc1cc([C@H](C)NCC2(O)CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000840884388 783191095 /nfs/dbraw/zinc/19/10/95/783191095.db2.gz LWWPLIPDUSQYGQ-KRWDZBQOSA-N 1 3 342.487 2.406 10 0 EEAEHO Cc1cc([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)n(C)n1 ZINC000840884388 783191105 /nfs/dbraw/zinc/19/11/05/783191105.db2.gz LWWPLIPDUSQYGQ-KRWDZBQOSA-N 1 3 342.487 2.406 10 0 EEAEHO CS[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C[C@@H]1N1CCCC1 ZINC000907349346 784576028 /nfs/dbraw/zinc/57/60/28/784576028.db2.gz FFMKIQXDCPCXNI-LUKYLMHMSA-N 1 3 337.533 2.042 10 0 EEAEHO CS[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C[C@@H]1N1CCCC1 ZINC000907349346 784576031 /nfs/dbraw/zinc/57/60/31/784576031.db2.gz FFMKIQXDCPCXNI-LUKYLMHMSA-N 1 3 337.533 2.042 10 0 EEAEHO Cc1cc(C)cc([C@@H](O)C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000819085329 785395749 /nfs/dbraw/zinc/39/57/49/785395749.db2.gz UFLAAJXXDIFCLZ-PXNSSMCTSA-N 1 3 332.488 2.427 10 0 EEAEHO C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)CCN1Cc1ccccc1 ZINC000711277956 788585478 /nfs/dbraw/zinc/58/54/78/788585478.db2.gz CZTJYKXEBXBQRY-AEFFLSMTSA-N 1 3 329.488 2.355 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844315596 789020183 /nfs/dbraw/zinc/02/01/83/789020183.db2.gz ABOVPFPSCFFXGH-ATZDWAIDSA-N 1 3 343.471 2.470 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844315596 789020194 /nfs/dbraw/zinc/02/01/94/789020194.db2.gz ABOVPFPSCFFXGH-ATZDWAIDSA-N 1 3 343.471 2.470 10 0 EEAEHO Cc1ccc(CN(C(=O)CN2CC[C@@H](C[NH3+])[C@H](C)C2)C2CC2)cc1 ZINC000923496365 789655186 /nfs/dbraw/zinc/65/51/86/789655186.db2.gz BMMXPVOUAAGOMJ-AEFFLSMTSA-N 1 3 329.488 2.403 10 0 EEAEHO COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498811 789680892 /nfs/dbraw/zinc/68/08/92/789680892.db2.gz LSMRPKYRWXRERX-UGUYLWEFSA-N 1 3 333.476 2.178 10 0 EEAEHO Cc1ccc([C@H](NC(=O)CN2CC[C@H](C[NH3+])[C@H](C)C2)C2CC2)cc1 ZINC000923501847 789687556 /nfs/dbraw/zinc/68/75/56/789687556.db2.gz WCJCVRGMILZSJV-ZTNFWEORSA-N 1 3 329.488 2.479 10 0 EEAEHO O[C@@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCSC1 ZINC000716654115 796404905 /nfs/dbraw/zinc/40/49/05/796404905.db2.gz FEMNIAWCXIIWKK-ZSYWTGECSA-N 1 3 332.513 2.497 10 0 EEAEHO CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001436431805 1087801681 /nfs/dbraw/zinc/80/16/81/1087801681.db2.gz KOXOIQFJIIWYOV-QZTJIDSGSA-N 1 3 335.467 2.462 10 0 EEAEHO CO[C@@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001436495846 1088008376 /nfs/dbraw/zinc/00/83/76/1088008376.db2.gz SXCICBAFLFZQFK-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CO[C@@H](C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001436495846 1088008391 /nfs/dbraw/zinc/00/83/91/1088008391.db2.gz SXCICBAFLFZQFK-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)CC(C)(C)C1 ZINC001436502708 1088033389 /nfs/dbraw/zinc/03/33/89/1088033389.db2.gz YOLSIKYDNREFSS-HOTGVXAUSA-N 1 3 339.524 2.112 10 0 EEAEHO CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)CC(C)(C)C1 ZINC001436502708 1088033406 /nfs/dbraw/zinc/03/34/06/1088033406.db2.gz YOLSIKYDNREFSS-HOTGVXAUSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CCOCC1 ZINC001437217359 1089297786 /nfs/dbraw/zinc/29/77/86/1089297786.db2.gz UQDBHCRWESVIBI-AEFFLSMTSA-N 1 3 339.524 2.160 10 0 EEAEHO CCN(CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)CCOC1CCC1 ZINC001437624905 1090136536 /nfs/dbraw/zinc/13/65/36/1090136536.db2.gz GOKNFFDECUHYRK-SJLPKXTDSA-N 1 3 337.508 2.011 10 0 EEAEHO CCN(CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)CCOC1CCC1 ZINC001437624905 1090136542 /nfs/dbraw/zinc/13/65/42/1090136542.db2.gz GOKNFFDECUHYRK-SJLPKXTDSA-N 1 3 337.508 2.011 10 0 EEAEHO CN(C/C=C\Cl)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001438001130 1090600469 /nfs/dbraw/zinc/60/04/69/1090600469.db2.gz WQWCOPUFLYEHNH-UQCOIBPSSA-N 1 3 325.884 2.005 10 0 EEAEHO Cc1nc(CNC[C@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cs1 ZINC001438511132 1091003594 /nfs/dbraw/zinc/00/35/94/1091003594.db2.gz ZDDXMHHCVJPIQE-BBRMVZONSA-N 1 3 338.521 2.168 10 0 EEAEHO Cc1nc(CNC[C@H](C)CNC(=O)CC[C@@H]2CCC[N@H+]2C)cs1 ZINC001438511132 1091003601 /nfs/dbraw/zinc/00/36/01/1091003601.db2.gz ZDDXMHHCVJPIQE-BBRMVZONSA-N 1 3 338.521 2.168 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]CC1CCC(F)(F)CC1 ZINC001438552522 1091045148 /nfs/dbraw/zinc/04/51/48/1091045148.db2.gz NTCWJVDSPJJWOE-CQSZACIVSA-N 1 3 333.467 2.494 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]C/C(Cl)=C/Cl)[C@H](C)C1 ZINC001438771364 1091355145 /nfs/dbraw/zinc/35/51/45/1091355145.db2.gz ORXPZLRGNIRUFB-FZKSUDTASA-N 1 3 336.307 2.472 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC=C(Cl)Cl)[C@H](C)C1 ZINC001438771245 1091355460 /nfs/dbraw/zinc/35/54/60/1091355460.db2.gz OONJWYVATDEQKY-CHWSQXEVSA-N 1 3 336.307 2.472 10 0 EEAEHO CC(C)c1cccc(CNC[C@H](C)NC(=O)C2CC[NH+](C)CC2)n1 ZINC001445609718 1091404260 /nfs/dbraw/zinc/40/42/60/1091404260.db2.gz GKHMKLRYAOBZNA-HNNXBMFYSA-N 1 3 332.492 2.141 10 0 EEAEHO C[C@@H](CN(C)Cc1ccc(CF)cc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001439322552 1091998619 /nfs/dbraw/zinc/99/86/19/1091998619.db2.gz CVZHRLIQAWMEOI-HDMKZQKVSA-N 1 3 335.467 2.433 10 0 EEAEHO C[C@@H](CN(C)Cc1ccc(CF)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001439322552 1091998625 /nfs/dbraw/zinc/99/86/25/1091998625.db2.gz CVZHRLIQAWMEOI-HDMKZQKVSA-N 1 3 335.467 2.433 10 0 EEAEHO Cc1ccc(F)cc1CN(C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001439325581 1092001731 /nfs/dbraw/zinc/00/17/31/1092001731.db2.gz KMVIWYSMWPNZPN-HNAYVOBHSA-N 1 3 347.478 2.412 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCC2([NH2+][C@@H]3CCc4ccc(F)cc43)CC2)C1 ZINC001446246335 1092364875 /nfs/dbraw/zinc/36/48/75/1092364875.db2.gz AECOAQZSIQQUJP-KBXCAEBGSA-N 1 3 345.462 2.393 10 0 EEAEHO Cc1cccnc1CN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001440185802 1093244619 /nfs/dbraw/zinc/24/46/19/1093244619.db2.gz FHMFRFHYHLZXQE-RBUKOAKNSA-N 1 3 344.503 2.297 10 0 EEAEHO C[C@@H](c1ccccc1)N1CCC[C@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001440193163 1093259180 /nfs/dbraw/zinc/25/91/80/1093259180.db2.gz ZDGFEPWSBWUFGS-PXNSSMCTSA-N 1 3 347.503 2.033 10 0 EEAEHO Cc1ncoc1CN1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001440399399 1093581855 /nfs/dbraw/zinc/58/18/55/1093581855.db2.gz YDGWGKVYOZTYQF-IAGOWNOFSA-N 1 3 348.491 2.328 10 0 EEAEHO Cc1ncoc1CN1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001440399399 1093581857 /nfs/dbraw/zinc/58/18/57/1093581857.db2.gz YDGWGKVYOZTYQF-IAGOWNOFSA-N 1 3 348.491 2.328 10 0 EEAEHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1cc2ccccc2o1 ZINC001442007720 1096210774 /nfs/dbraw/zinc/21/07/74/1096210774.db2.gz JRSNZZVEOWETPJ-LSDHHAIUSA-N 1 3 329.444 2.369 10 0 EEAEHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1cc2ccccc2o1 ZINC001442007720 1096210776 /nfs/dbraw/zinc/21/07/76/1096210776.db2.gz JRSNZZVEOWETPJ-LSDHHAIUSA-N 1 3 329.444 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276214201 /nfs/dbraw/zinc/21/42/01/276214201.db2.gz CPYVBDCTHUKRIQ-FUHWJXTLSA-N 1 3 347.503 2.316 10 0 EEAEHO C[C@@H](NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)[C@H]1CCCC[NH2+]1 ZINC000423102270 278334714 /nfs/dbraw/zinc/33/47/14/278334714.db2.gz DTGZCCVDUQGXRO-IUODEOHRSA-N 1 3 338.883 2.393 10 0 EEAEHO CO[C@H](C)CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000354828320 294268527 /nfs/dbraw/zinc/26/85/27/294268527.db2.gz BAWTUMKHOAGJNG-AEFFLSMTSA-N 1 3 335.492 2.151 10 0 EEAEHO C[NH2+]C[C@H](C)CNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000416893173 313351449 /nfs/dbraw/zinc/35/14/49/313351449.db2.gz BQJKIFUEWBQFQX-INIZCTEOSA-N 1 3 332.492 2.327 10 0 EEAEHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1cccc(OC)c1 ZINC000416930715 313364568 /nfs/dbraw/zinc/36/45/68/313364568.db2.gz YVXSGEGVTDZECR-WBAXXEDZSA-N 1 3 348.491 2.209 10 0 EEAEHO C[NH+](C)CC1CCC(NC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC1 ZINC000417909019 313645834 /nfs/dbraw/zinc/64/58/34/313645834.db2.gz CCGJMUQCJQJUCD-SOTJZCEJSA-N 1 3 344.503 2.243 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)C(C)(F)F)CC2)CC1 ZINC000448837716 315390545 /nfs/dbraw/zinc/39/05/45/315390545.db2.gz UJMOOQCBDWUDPX-UHFFFAOYSA-N 1 3 331.451 2.343 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC000527728691 317253233 /nfs/dbraw/zinc/25/32/33/317253233.db2.gz UULGWXBTETXNSL-ZACQAIPSSA-N 1 3 348.535 2.280 10 0 EEAEHO CC[C@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000566121672 319248343 /nfs/dbraw/zinc/24/83/43/319248343.db2.gz MISWJZDLALMKDU-OALUTQOASA-N 1 3 332.488 2.276 10 0 EEAEHO CC[C@H](O)CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000566121672 319248345 /nfs/dbraw/zinc/24/83/45/319248345.db2.gz MISWJZDLALMKDU-OALUTQOASA-N 1 3 332.488 2.276 10 0 EEAEHO CC[C@H](O)CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000566121672 319248347 /nfs/dbraw/zinc/24/83/47/319248347.db2.gz MISWJZDLALMKDU-OALUTQOASA-N 1 3 332.488 2.276 10 0 EEAEHO O=C(NCc1ccccc1CN1CCCCC1)NC[C@@H]1CCC[NH2+]C1 ZINC000572856161 319884013 /nfs/dbraw/zinc/88/40/13/319884013.db2.gz AJGMXWZSIPXCSX-QGZVFWFLSA-N 1 3 344.503 2.471 10 0 EEAEHO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000574351638 320017686 /nfs/dbraw/zinc/01/76/86/320017686.db2.gz VKARMYKGQLVMFD-OTWHNJEPSA-N 1 3 331.504 2.300 10 0 EEAEHO CN1CCC(C[NH2+]C[C@H](O)Cc2ccccc2)(N2CCCCC2)CC1 ZINC000581007127 324167428 /nfs/dbraw/zinc/16/74/28/324167428.db2.gz GUNTWRRSOBAQGH-HXUWFJFHSA-N 1 3 345.531 2.130 10 0 EEAEHO COc1cnccc1N1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000358314200 465053949 /nfs/dbraw/zinc/05/39/49/465053949.db2.gz UZSODCVQFRQGMR-OAGGEKHMSA-N 1 3 346.475 2.000 10 0 EEAEHO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000552207957 468317836 /nfs/dbraw/zinc/31/78/36/468317836.db2.gz NBIUKHKBDRSECS-LJQANCHMSA-N 1 3 347.503 2.105 10 0 EEAEHO CCN1CCCN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC000073490209 463616204 /nfs/dbraw/zinc/61/62/04/463616204.db2.gz WKGVJYIKWUNXKQ-UHFFFAOYSA-N 1 3 330.476 2.161 10 0 EEAEHO C[N@@H+]1CCC[C@@H](CNC(=O)CN)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237080017 464261632 /nfs/dbraw/zinc/26/16/32/464261632.db2.gz VEIWLERUJJYUHS-WFASDCNBSA-N 1 3 329.366 2.163 10 0 EEAEHO C[N@H+]1CCC[C@@H](CNC(=O)CN)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237080017 464261634 /nfs/dbraw/zinc/26/16/34/464261634.db2.gz VEIWLERUJJYUHS-WFASDCNBSA-N 1 3 329.366 2.163 10 0 EEAEHO CN(C[C@H](O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000352082182 465473104 /nfs/dbraw/zinc/47/31/04/465473104.db2.gz IGGQTJGNWLXJTI-KZNAEPCWSA-N 1 3 337.895 2.130 10 0 EEAEHO C[C@@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000174833053 464456217 /nfs/dbraw/zinc/45/62/17/464456217.db2.gz CXQJCLNLRCVSSQ-PKOBYXMFSA-N 1 3 342.487 2.163 10 0 EEAEHO C[C@@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000174833053 464456222 /nfs/dbraw/zinc/45/62/22/464456222.db2.gz CXQJCLNLRCVSSQ-PKOBYXMFSA-N 1 3 342.487 2.163 10 0 EEAEHO CN(C)C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000175646048 464593160 /nfs/dbraw/zinc/59/31/60/464593160.db2.gz GGMNHUSVTUBNBH-SQNIBIBYSA-N 1 3 332.492 2.461 10 0 EEAEHO C[C@H]1CN(C(=O)c2ccccc2OCC[NH+](C)C)CCN(C2CC2)C1 ZINC000295253972 464762047 /nfs/dbraw/zinc/76/20/47/464762047.db2.gz FKNCBCNWZWDOMN-MRXNPFEDSA-N 1 3 345.487 2.183 10 0 EEAEHO CN(Cc1cncn1C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000177055517 464918976 /nfs/dbraw/zinc/91/89/76/464918976.db2.gz UWFCPKBYHYVADP-FQEVSTJZSA-N 1 3 342.487 2.298 10 0 EEAEHO Cc1ccsc1[C@H](CO)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000337357103 465326128 /nfs/dbraw/zinc/32/61/28/465326128.db2.gz CDXSZQXWZYLZES-INIZCTEOSA-N 1 3 325.522 2.096 10 0 EEAEHO CC(C)N1CCN(CCC[N@H+](CCO)CC2CCCCC2)CC1 ZINC000337413468 465354330 /nfs/dbraw/zinc/35/43/30/465354330.db2.gz MQKRLXPQNMHOKR-UHFFFAOYSA-N 1 3 325.541 2.277 10 0 EEAEHO CC(C)N1CCN(CCC[N@@H+](CCO)CC2CCCCC2)CC1 ZINC000337413468 465354338 /nfs/dbraw/zinc/35/43/38/465354338.db2.gz MQKRLXPQNMHOKR-UHFFFAOYSA-N 1 3 325.541 2.277 10 0 EEAEHO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1 ZINC000367612802 466449397 /nfs/dbraw/zinc/44/93/97/466449397.db2.gz BBECGVUOGKRHNO-KURKYZTESA-N 1 3 336.501 2.443 10 0 EEAEHO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc4c(c3F)CCNC4)CC[C@@H]21 ZINC000415952072 466716814 /nfs/dbraw/zinc/71/68/14/466716814.db2.gz GXEHEWMPDVWUPA-YOEHRIQHSA-N 1 3 346.450 2.419 10 0 EEAEHO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc4c(c3F)CCNC4)CC[C@@H]21 ZINC000415952072 466716820 /nfs/dbraw/zinc/71/68/20/466716820.db2.gz GXEHEWMPDVWUPA-YOEHRIQHSA-N 1 3 346.450 2.419 10 0 EEAEHO CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423478132 466755040 /nfs/dbraw/zinc/75/50/40/466755040.db2.gz TVNSMQINLMJLOC-CGTJXYLNSA-N 1 3 331.439 2.179 10 0 EEAEHO CC[C@H](Cn1cncn1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423478132 466755046 /nfs/dbraw/zinc/75/50/46/466755046.db2.gz TVNSMQINLMJLOC-CGTJXYLNSA-N 1 3 331.439 2.179 10 0 EEAEHO C[C@@H]1CCCCN1CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411421790 466824562 /nfs/dbraw/zinc/82/45/62/466824562.db2.gz WECIOGRGGVFJGO-WBVHZDCISA-N 1 3 339.549 2.195 10 0 EEAEHO O=C1C[C@]2(CC[N@H+](Cc3cccc(CN4CCCCC4)c3)C2)CN1 ZINC000411669833 466872231 /nfs/dbraw/zinc/87/22/31/466872231.db2.gz KJFQXGQHPZYLMM-HXUWFJFHSA-N 1 3 327.472 2.385 10 0 EEAEHO O=C1C[C@]2(CC[N@@H+](Cc3cccc(CN4CCCCC4)c3)C2)CN1 ZINC000411669833 466872235 /nfs/dbraw/zinc/87/22/35/466872235.db2.gz KJFQXGQHPZYLMM-HXUWFJFHSA-N 1 3 327.472 2.385 10 0 EEAEHO O=C1C[C@]2(CCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)CN1 ZINC000411669833 466872240 /nfs/dbraw/zinc/87/22/40/466872240.db2.gz KJFQXGQHPZYLMM-HXUWFJFHSA-N 1 3 327.472 2.385 10 0 EEAEHO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418166635 467063898 /nfs/dbraw/zinc/06/38/98/467063898.db2.gz ZOOKYIWKYHXVEY-ZOBUZTSGSA-N 1 3 332.492 2.322 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000418564124 467129103 /nfs/dbraw/zinc/12/91/03/467129103.db2.gz WNNMWYYCQVUOET-LMMKCTJWSA-N 1 3 344.503 2.290 10 0 EEAEHO CN(C(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000418672316 467144479 /nfs/dbraw/zinc/14/44/79/467144479.db2.gz MLCVDNTWUSBUIH-QZTJIDSGSA-N 1 3 330.476 2.345 10 0 EEAEHO C[C@@H](NC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2)[C@H](C)[NH3+] ZINC000418701498 467147771 /nfs/dbraw/zinc/14/77/71/467147771.db2.gz GLRLBAMDKYCACY-SQGPQFPESA-N 1 3 344.503 2.420 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000382753432 467379348 /nfs/dbraw/zinc/37/93/48/467379348.db2.gz DSRBEJUXLREJSO-IEBWSBKVSA-N 1 3 329.488 2.499 10 0 EEAEHO C[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(OCCN(C)C)cc1 ZINC000453277680 467476906 /nfs/dbraw/zinc/47/69/06/467476906.db2.gz YGPQXQIMWPUONW-PKOBYXMFSA-N 1 3 349.519 2.124 10 0 EEAEHO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCCNC2)c1 ZINC000415065531 467479838 /nfs/dbraw/zinc/47/98/38/467479838.db2.gz GLKDQANTBLZRRE-ZIAGYGMSSA-N 1 3 335.448 2.153 10 0 EEAEHO CN1CCC(O)(C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000530321067 467975823 /nfs/dbraw/zinc/97/58/23/467975823.db2.gz ZXZHLHMHLZBTGC-SFHVURJKSA-N 1 3 340.471 2.296 10 0 EEAEHO CCC[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)CCN1CCOC ZINC000520416633 468249890 /nfs/dbraw/zinc/24/98/90/468249890.db2.gz MTZOQLUCEVQOCH-HXUWFJFHSA-N 1 3 331.504 2.265 10 0 EEAEHO OCC1([NH2+]CC2CC2)CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000567994480 468252283 /nfs/dbraw/zinc/25/22/83/468252283.db2.gz NIEKUUKIHYYIOM-HXUWFJFHSA-N 1 3 343.515 2.087 10 0 EEAEHO COCC[N@H+](C)CCCN[C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594493338 468608133 /nfs/dbraw/zinc/60/81/33/468608133.db2.gz CHVCSFXERIKPRQ-GOSISDBHSA-N 1 3 334.460 2.409 10 0 EEAEHO COCC[N@@H+](C)CCCN[C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594493338 468608137 /nfs/dbraw/zinc/60/81/37/468608137.db2.gz CHVCSFXERIKPRQ-GOSISDBHSA-N 1 3 334.460 2.409 10 0 EEAEHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(CN2CCCC2)c1 ZINC000594642145 468639819 /nfs/dbraw/zinc/63/98/19/468639819.db2.gz LGBUGFNOQJEVMF-LJQANCHMSA-N 1 3 327.472 2.497 10 0 EEAEHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc(CN2CCCC2)c1 ZINC000594642145 468639824 /nfs/dbraw/zinc/63/98/24/468639824.db2.gz LGBUGFNOQJEVMF-LJQANCHMSA-N 1 3 327.472 2.497 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000583554672 468714367 /nfs/dbraw/zinc/71/43/67/468714367.db2.gz GAARQXCJCQGUEC-SJLPKXTDSA-N 1 3 344.503 2.338 10 0 EEAEHO C[C@@]1(CNC(=O)NC[C@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000561203446 468875484 /nfs/dbraw/zinc/87/54/84/468875484.db2.gz ZLFHUXPUGHJFRY-MJGOQNOKSA-N 1 3 330.476 2.092 10 0 EEAEHO CN1CC[C@H](NC(=O)NCC2(C)CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000572380888 468925890 /nfs/dbraw/zinc/92/58/90/468925890.db2.gz BHAJJJFSLHATNI-DLBZAZTESA-N 1 3 330.476 2.121 10 0 EEAEHO CN1CC[C@H]([NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623428915 469653773 /nfs/dbraw/zinc/65/37/73/469653773.db2.gz DXDBWUQUYQDPEB-ICSRJNTNSA-N 1 3 331.504 2.086 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCc2cc(F)ccc21 ZINC000617503375 469700958 /nfs/dbraw/zinc/70/09/58/469700958.db2.gz GTLZKBCZTHNFOX-KSSFIOAISA-N 1 3 335.467 2.244 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCc2cc(F)ccc21 ZINC000617503375 469700962 /nfs/dbraw/zinc/70/09/62/469700962.db2.gz GTLZKBCZTHNFOX-KSSFIOAISA-N 1 3 335.467 2.244 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc2ncccc21 ZINC000617504303 469702314 /nfs/dbraw/zinc/70/23/14/469702314.db2.gz OWZFXXYNRSJGRP-HNNXBMFYSA-N 1 3 328.460 2.237 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc2ncccc21 ZINC000617504303 469702317 /nfs/dbraw/zinc/70/23/17/469702317.db2.gz OWZFXXYNRSJGRP-HNNXBMFYSA-N 1 3 328.460 2.237 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccccc1 ZINC000617506911 469706074 /nfs/dbraw/zinc/70/60/74/469706074.db2.gz CAVBVKDBDRDZHA-RNIPGJKVSA-N 1 3 331.504 2.424 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccccc1 ZINC000617506911 469706078 /nfs/dbraw/zinc/70/60/78/469706078.db2.gz CAVBVKDBDRDZHA-RNIPGJKVSA-N 1 3 331.504 2.424 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc([C@H]2CCOC2)c1 ZINC000617506655 469706354 /nfs/dbraw/zinc/70/63/54/469706354.db2.gz VGODLOKDZOPGPQ-LPHOPBHVSA-N 1 3 347.503 2.192 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc([C@H]2CCOC2)c1 ZINC000617506655 469706359 /nfs/dbraw/zinc/70/63/59/469706359.db2.gz VGODLOKDZOPGPQ-LPHOPBHVSA-N 1 3 347.503 2.192 10 0 EEAEHO COc1cccc(C2(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC2)c1 ZINC000617507907 469707817 /nfs/dbraw/zinc/70/78/17/469707817.db2.gz OIWHXNXZUFFQDE-INIZCTEOSA-N 1 3 347.503 2.115 10 0 EEAEHO COc1cccc(C2(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC2)c1 ZINC000617507907 469707820 /nfs/dbraw/zinc/70/78/20/469707820.db2.gz OIWHXNXZUFFQDE-INIZCTEOSA-N 1 3 347.503 2.115 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C[NH2+]1 ZINC000626916703 469753743 /nfs/dbraw/zinc/75/37/43/469753743.db2.gz OMWRJKYJRTURTG-NJAFHUGGSA-N 1 3 330.476 2.263 10 0 EEAEHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626934623 469760922 /nfs/dbraw/zinc/76/09/22/469760922.db2.gz KFHDNIYOBSRNJW-GOSISDBHSA-N 1 3 342.487 2.019 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C[NH2+]1 ZINC000626938702 469762685 /nfs/dbraw/zinc/76/26/85/469762685.db2.gz JFKDIVVXLPINEL-CRAIPNDOSA-N 1 3 344.503 2.263 10 0 EEAEHO Cc1ccc([C@@H](CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)N(C)C)cc1 ZINC000626953570 469767480 /nfs/dbraw/zinc/76/74/80/469767480.db2.gz WTMRDEFZAYFTEF-RLLQIKCJSA-N 1 3 344.503 2.239 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000626993166 469781904 /nfs/dbraw/zinc/78/19/04/469781904.db2.gz CQVGJJYORAUMFS-QXCFHYIPSA-N 1 3 344.503 2.337 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000626995376 469782232 /nfs/dbraw/zinc/78/22/32/469782232.db2.gz SVOVNSBJBYDCBJ-UOVPBQLFSA-N 1 3 330.476 2.089 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000626998154 469783438 /nfs/dbraw/zinc/78/34/38/469783438.db2.gz IIWXXDXUGOQFLX-NRSFXHEJSA-N 1 3 330.476 2.089 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CN1Cc1ccccc1 ZINC000626999398 469783569 /nfs/dbraw/zinc/78/35/69/469783569.db2.gz ZAVRPSXHBOERAJ-LMSBXDPUSA-N 1 3 330.476 2.089 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000627158247 469827863 /nfs/dbraw/zinc/82/78/63/469827863.db2.gz ORUDZVCGTXXSFS-INDMIFKZSA-N 1 3 342.487 2.043 10 0 EEAEHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)C2)cc1 ZINC000633337575 470429501 /nfs/dbraw/zinc/42/95/01/470429501.db2.gz KKGNSFCHDCLPEG-GBESFXJTSA-N 1 3 344.503 2.209 10 0 EEAEHO CN1C[C@H]2CCN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)[C@H]2C1 ZINC000646927399 470779370 /nfs/dbraw/zinc/77/93/70/470779370.db2.gz JYDDWULSJOHVPE-MOPGFXCFSA-N 1 3 341.499 2.451 10 0 EEAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCCNC2=O)CC1 ZINC000657276328 471082075 /nfs/dbraw/zinc/08/20/75/471082075.db2.gz AUYLHZIUOJBBFZ-SJLPKXTDSA-N 1 3 329.488 2.198 10 0 EEAEHO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CO1 ZINC000657496932 471152897 /nfs/dbraw/zinc/15/28/97/471152897.db2.gz TZZJERIODZRIDI-RBUKOAKNSA-N 1 3 345.487 2.041 10 0 EEAEHO CC[C@@H]1C[C@H](NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CO1 ZINC000657496932 471152903 /nfs/dbraw/zinc/15/29/03/471152903.db2.gz TZZJERIODZRIDI-RBUKOAKNSA-N 1 3 345.487 2.041 10 0 EEAEHO CN(C(=O)N[C@@H]1CCC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000641027081 471167922 /nfs/dbraw/zinc/16/79/22/471167922.db2.gz ULIATMLEPZRAPQ-MSOLQXFVSA-N 1 3 330.476 2.044 10 0 EEAEHO CN(C)c1ccncc1CNCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657596970 471179124 /nfs/dbraw/zinc/17/91/24/471179124.db2.gz PTTONCFCOMJBSC-LJQANCHMSA-N 1 3 340.471 2.004 10 0 EEAEHO CN(C)c1ccncc1CNCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657596970 471179127 /nfs/dbraw/zinc/17/91/27/471179127.db2.gz PTTONCFCOMJBSC-LJQANCHMSA-N 1 3 340.471 2.004 10 0 EEAEHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCOCC(F)(F)C(F)F)C1 ZINC000652364016 471280274 /nfs/dbraw/zinc/28/02/74/471280274.db2.gz VKCOHIJMTXPUBX-AGIUHOORSA-N 1 3 342.377 2.264 10 0 EEAEHO CCN1CC[C@H]([NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658344924 471290932 /nfs/dbraw/zinc/29/09/32/471290932.db2.gz SOZZCTRWIAFHMN-GIVPXCGWSA-N 1 3 344.547 2.123 10 0 EEAEHO CC[N@@H+]1CC[C@H](NC[C@H]2CN(C)CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658344924 471290933 /nfs/dbraw/zinc/29/09/33/471290933.db2.gz SOZZCTRWIAFHMN-GIVPXCGWSA-N 1 3 344.547 2.123 10 0 EEAEHO CC[N@H+]1CC[C@H](NC[C@H]2CN(C)CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658344924 471290935 /nfs/dbraw/zinc/29/09/35/471290935.db2.gz SOZZCTRWIAFHMN-GIVPXCGWSA-N 1 3 344.547 2.123 10 0 EEAEHO COc1cnccc1N1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000660453455 471349803 /nfs/dbraw/zinc/34/98/03/471349803.db2.gz NPPUXNGNHOAVFC-CALCHBBNSA-N 1 3 332.492 2.190 10 0 EEAEHO COc1cnccc1N1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000660453455 471349810 /nfs/dbraw/zinc/34/98/10/471349810.db2.gz NPPUXNGNHOAVFC-CALCHBBNSA-N 1 3 332.492 2.190 10 0 EEAEHO C[NH2+]CCCC(=O)N1CCC(NCc2cc(C)ccc2OC)CC1 ZINC000663502742 471402872 /nfs/dbraw/zinc/40/28/72/471402872.db2.gz AHKCJOJZFIXYHQ-UHFFFAOYSA-N 1 3 333.476 2.084 10 0 EEAEHO CCC[N@H+](CC)CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659036368 471478262 /nfs/dbraw/zinc/47/82/62/471478262.db2.gz RHCHTODUARAXQA-QGZVFWFLSA-N 1 3 334.464 2.201 10 0 EEAEHO CCC[N@@H+](CC)CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659036368 471478266 /nfs/dbraw/zinc/47/82/66/471478266.db2.gz RHCHTODUARAXQA-QGZVFWFLSA-N 1 3 334.464 2.201 10 0 EEAEHO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659040333 471482743 /nfs/dbraw/zinc/48/27/43/471482743.db2.gz FLCJGRACRISXSB-QGZVFWFLSA-N 1 3 346.475 2.343 10 0 EEAEHO CC[C@@H](CN1CCCC1)NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000669529133 471536820 /nfs/dbraw/zinc/53/68/20/471536820.db2.gz FQINFAUYDIDVAL-RJFAQORQSA-N 1 3 348.535 2.314 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1(c2ccccc2)CC1 ZINC000663929974 471580021 /nfs/dbraw/zinc/58/00/21/471580021.db2.gz CEMYZYURPBTVSB-INIZCTEOSA-N 1 3 332.492 2.247 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1(c2ccccc2)CC1 ZINC000663929974 471580023 /nfs/dbraw/zinc/58/00/23/471580023.db2.gz CEMYZYURPBTVSB-INIZCTEOSA-N 1 3 332.492 2.247 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C(C)C)C1CC1 ZINC000667014043 471623377 /nfs/dbraw/zinc/62/33/77/471623377.db2.gz MJASYTMESSWVLI-ZWKOTPCHSA-N 1 3 338.540 2.479 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C(C)C)C1CC1 ZINC000667014043 471623384 /nfs/dbraw/zinc/62/33/84/471623384.db2.gz MJASYTMESSWVLI-ZWKOTPCHSA-N 1 3 338.540 2.479 10 0 EEAEHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CC[C@@H](F)[C@H](N)C1)[NH+](C)C ZINC000659491847 471654090 /nfs/dbraw/zinc/65/40/90/471654090.db2.gz DMLIRQUKLIDSKC-MWQQHZPXSA-N 1 3 336.455 2.067 10 0 EEAEHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659582199 471687106 /nfs/dbraw/zinc/68/71/06/471687106.db2.gz GKXAIPNGYZQERO-RTBURBONSA-N 1 3 346.519 2.361 10 0 EEAEHO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000661399394 471741928 /nfs/dbraw/zinc/74/19/28/471741928.db2.gz SRZWPCVCGICYBD-QZTJIDSGSA-N 1 3 344.503 2.433 10 0 EEAEHO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000661399394 471741932 /nfs/dbraw/zinc/74/19/32/471741932.db2.gz SRZWPCVCGICYBD-QZTJIDSGSA-N 1 3 344.503 2.433 10 0 EEAEHO C[C@H](CCN1CCC[C@@](O)(C2CC2)C1)[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661628561 471833298 /nfs/dbraw/zinc/83/32/98/471833298.db2.gz VQKNHIKTMQCOKC-LSTHTHJFSA-N 1 3 336.520 2.239 10 0 EEAEHO C[C@H](CCN1CCC[C@@](O)(C2CC2)C1)[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661628561 471833305 /nfs/dbraw/zinc/83/33/05/471833305.db2.gz VQKNHIKTMQCOKC-LSTHTHJFSA-N 1 3 336.520 2.239 10 0 EEAEHO C[C@H](CC[N@@H+]1CCC[C@@](O)(C2CC2)C1)N1CCC[C@](O)(C2CC2)C1 ZINC000661628561 471833310 /nfs/dbraw/zinc/83/33/10/471833310.db2.gz VQKNHIKTMQCOKC-LSTHTHJFSA-N 1 3 336.520 2.239 10 0 EEAEHO C[C@H](CC[N@H+]1CCC[C@@](O)(C2CC2)C1)N1CCC[C@](O)(C2CC2)C1 ZINC000661628561 471833313 /nfs/dbraw/zinc/83/33/13/471833313.db2.gz VQKNHIKTMQCOKC-LSTHTHJFSA-N 1 3 336.520 2.239 10 0 EEAEHO CCN(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000664782177 471859168 /nfs/dbraw/zinc/85/91/68/471859168.db2.gz IZAHDTBSYNJWCA-RTBURBONSA-N 1 3 344.503 2.244 10 0 EEAEHO CCN(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000664782177 471859174 /nfs/dbraw/zinc/85/91/74/471859174.db2.gz IZAHDTBSYNJWCA-RTBURBONSA-N 1 3 344.503 2.244 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CCC(C(F)F)CC1 ZINC000665117747 471948702 /nfs/dbraw/zinc/94/87/02/471948702.db2.gz YWRLLDCWLRMBSZ-NFOMZHRRSA-N 1 3 348.482 2.382 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CCC(C(F)F)CC1 ZINC000665117747 471948708 /nfs/dbraw/zinc/94/87/08/471948708.db2.gz YWRLLDCWLRMBSZ-NFOMZHRRSA-N 1 3 348.482 2.382 10 0 EEAEHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCSc1ccc(F)cc1 ZINC000662273347 472051580 /nfs/dbraw/zinc/05/15/80/472051580.db2.gz UMJGDNZQCPOQTF-OAHLLOKOSA-N 1 3 339.480 2.237 10 0 EEAEHO CC(C)[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665761824 472176752 /nfs/dbraw/zinc/17/67/52/472176752.db2.gz QXHLMVCRPSRHDK-IRXDYDNUSA-N 1 3 326.529 2.336 10 0 EEAEHO CC(C)[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665761824 472176762 /nfs/dbraw/zinc/17/67/62/472176762.db2.gz QXHLMVCRPSRHDK-IRXDYDNUSA-N 1 3 326.529 2.336 10 0 EEAEHO C[C@@H]1CN(CCCCNC(=O)C[C@H]2[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000662689764 472208224 /nfs/dbraw/zinc/20/82/24/472208224.db2.gz XLJGCGFBMLXYGF-JTDSTZFVSA-N 1 3 345.487 2.227 10 0 EEAEHO C[C@@H](CNC(=O)c1cc(C(C)(C)N)no1)[N@H+](C)Cc1ccccc1 ZINC000662730304 472225851 /nfs/dbraw/zinc/22/58/51/472225851.db2.gz BUMKQHPADFLHGJ-ZDUSSCGKSA-N 1 3 330.432 2.119 10 0 EEAEHO C[C@@H](CNC(=O)c1cc(C(C)(C)N)no1)[N@@H+](C)Cc1ccccc1 ZINC000662730304 472225857 /nfs/dbraw/zinc/22/58/57/472225857.db2.gz BUMKQHPADFLHGJ-ZDUSSCGKSA-N 1 3 330.432 2.119 10 0 EEAEHO C[C@@H](N)C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662758400 472238156 /nfs/dbraw/zinc/23/81/56/472238156.db2.gz OGMQGYRXMKBVER-QAPCUYQASA-N 1 3 329.488 2.483 10 0 EEAEHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCCn4nccc43)cc2)C1 ZINC000658142063 485572136 /nfs/dbraw/zinc/57/21/36/485572136.db2.gz YLPPFVBMOGXHSH-ROUUACIJSA-N 1 3 326.444 2.074 10 0 EEAEHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCCn4nccc43)cc2)C1 ZINC000658142063 485572142 /nfs/dbraw/zinc/57/21/42/485572142.db2.gz YLPPFVBMOGXHSH-ROUUACIJSA-N 1 3 326.444 2.074 10 0 EEAEHO O=C(CCN1CCc2ccccc2C1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000416126344 534416485 /nfs/dbraw/zinc/41/64/85/534416485.db2.gz DPVVGKJJFJPQFE-RTBURBONSA-N 1 3 327.472 2.178 10 0 EEAEHO O=C(CCN1CCc2ccccc2C1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000416126344 534416491 /nfs/dbraw/zinc/41/64/91/534416491.db2.gz DPVVGKJJFJPQFE-RTBURBONSA-N 1 3 327.472 2.178 10 0 EEAEHO CN(C)Cc1cc(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1F ZINC000422742649 535990634 /nfs/dbraw/zinc/99/06/34/535990634.db2.gz GSBOYGNENDGQHB-NZSAHSFTSA-N 1 3 335.467 2.134 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCN1C ZINC000925322454 692044324 /nfs/dbraw/zinc/04/43/24/692044324.db2.gz PPANSVJGADSUOW-FGTMMUONSA-N 1 3 336.524 2.233 10 0 EEAEHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]CCc3ccccc3F)C2)CCC1 ZINC001267046175 1178144093 /nfs/dbraw/zinc/14/40/93/1178144093.db2.gz XRZSVJOTUUHZLN-INIZCTEOSA-N 1 3 347.478 2.291 10 0 EEAEHO CC(C)(C(=O)NC[C@H]([NH2+]CCCO)c1ccccc1)N1CCCCC1 ZINC001267521875 1179254045 /nfs/dbraw/zinc/25/40/45/1179254045.db2.gz WUDJSGFLCVNNSB-SFHVURJKSA-N 1 3 347.503 2.080 10 0 EEAEHO Cc1ccc(OCCCN2CC[C@H](NC(=O)CC[NH+](C)C)C2)cc1C ZINC001267730318 1180318838 /nfs/dbraw/zinc/31/88/38/1180318838.db2.gz NYJOALXRVCSOOO-SFHVURJKSA-N 1 3 347.503 2.215 10 0 EEAEHO CN(CCNCc1cccnc1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001481249802 1180464521 /nfs/dbraw/zinc/46/45/21/1180464521.db2.gz HUAFGTUZXOIILW-UHFFFAOYSA-N 1 3 332.492 2.283 10 0 EEAEHO CN(CCNCc1cccnc1)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001481249802 1180464522 /nfs/dbraw/zinc/46/45/22/1180464522.db2.gz HUAFGTUZXOIILW-UHFFFAOYSA-N 1 3 332.492 2.283 10 0 EEAEHO Cc1ncccc1CNCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001481302379 1180963345 /nfs/dbraw/zinc/96/33/45/1180963345.db2.gz LOOCXJULLWOWBY-WMZOPIPTSA-N 1 3 332.492 2.058 10 0 EEAEHO Cc1ncc(CNCCN(C)C(=O)CCC[NH+]2CCCCC2)s1 ZINC001481317196 1181015631 /nfs/dbraw/zinc/01/56/31/1181015631.db2.gz IUKXBDHFBQMROM-UHFFFAOYSA-N 1 3 338.521 2.266 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccccc1N(C)C ZINC001481320038 1181026022 /nfs/dbraw/zinc/02/60/22/1181026022.db2.gz UGSPVKLMSIZELO-LJQANCHMSA-N 1 3 346.519 2.175 10 0 EEAEHO COCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001268175412 1181953983 /nfs/dbraw/zinc/95/39/83/1181953983.db2.gz DUFSRWIJGGYJBK-SJORKVTESA-N 1 3 341.540 2.218 10 0 EEAEHO C[NH+]1CCC(C(=O)NC/C=C/CN[C@H]2CCc3c2cccc3F)CC1 ZINC001268587747 1183385595 /nfs/dbraw/zinc/38/55/95/1183385595.db2.gz KYDBREHNRFRPJL-PHXNAMCJSA-N 1 3 345.462 2.417 10 0 EEAEHO CC1CCN(CC(=O)NC/C=C\C[NH2+]CC2CC(F)(F)C2)CC1 ZINC001268610974 1183520339 /nfs/dbraw/zinc/52/03/39/1183520339.db2.gz YUULXXBAQJUOTC-IHWYPQMZSA-N 1 3 329.435 2.026 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCCCCOC)C2)C1)N(C)C ZINC001269740594 1184574193 /nfs/dbraw/zinc/57/41/93/1184574193.db2.gz GPKYYRWMTILRFX-PKOBYXMFSA-N 1 3 339.524 2.068 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCCCCOC)C2)C1)N(C)C ZINC001269740594 1184574200 /nfs/dbraw/zinc/57/42/00/1184574200.db2.gz GPKYYRWMTILRFX-PKOBYXMFSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1cc(C[NH2+]CCC2CCN(C(=O)CN(C)C3CCC3)CC2)on1 ZINC001269870862 1184683020 /nfs/dbraw/zinc/68/30/20/1184683020.db2.gz DLBFFYLIAPMSDE-UHFFFAOYSA-N 1 3 348.491 2.186 10 0 EEAEHO CCc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001482318803 1185336782 /nfs/dbraw/zinc/33/67/82/1185336782.db2.gz GTGHASSTJMPVGC-QFBILLFUSA-N 1 3 331.504 2.322 10 0 EEAEHO C[C@H](CC[NH2+]Cc1ccc(F)cn1)NC(=O)CN(C)CC(C)(C)C ZINC001482874849 1187795104 /nfs/dbraw/zinc/79/51/04/1187795104.db2.gz MZUSIBIERGEAMO-CQSZACIVSA-N 1 3 338.471 2.183 10 0 EEAEHO CCN(CC[NH2+]CC1CCC(F)(F)CC1)C(=O)[C@@H]1CCCN1C ZINC001482914396 1187840104 /nfs/dbraw/zinc/84/01/04/1187840104.db2.gz NJOFPPKMYSGHKV-HNNXBMFYSA-N 1 3 331.451 2.344 10 0 EEAEHO CN(CCNCc1ccnc(Cl)c1)C(=O)CCC[NH+]1CCCC1 ZINC001691619268 1188319834 /nfs/dbraw/zinc/31/98/34/1188319834.db2.gz IYIUEZMWOAIFBF-UHFFFAOYSA-N 1 3 338.883 2.159 10 0 EEAEHO COCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001691620030 1188320703 /nfs/dbraw/zinc/32/07/03/1188320703.db2.gz FLYXMQXFUABUBX-MSOLQXFVSA-N 1 3 341.540 2.360 10 0 EEAEHO COc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001483060496 1188354968 /nfs/dbraw/zinc/35/49/68/1188354968.db2.gz LLQBXIZHHHKPKU-FEFZKZJHSA-N 1 3 345.487 2.360 10 0 EEAEHO CCc1ccccc1CC[NH2+]C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001483188663 1189060593 /nfs/dbraw/zinc/06/05/93/1189060593.db2.gz QZKJBMVKBDMDBZ-CQSZACIVSA-N 1 3 328.460 2.160 10 0 EEAEHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NCc1ccc(Cl)cc1F ZINC001409413967 1189644718 /nfs/dbraw/zinc/64/47/18/1189644718.db2.gz PRDXYCHNNYIJNM-NWDGAFQWSA-N 1 3 329.847 2.414 10 0 EEAEHO C[C@H](NCc1ccccc1Cl)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001409419995 1189648542 /nfs/dbraw/zinc/64/85/42/1189648542.db2.gz LJTGMLNNPKCWIL-KBPBESRZSA-N 1 3 335.879 2.419 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)Cc2cccc(F)c2)CC[N@@H+]1C ZINC001409569717 1190051309 /nfs/dbraw/zinc/05/13/09/1190051309.db2.gz LLDHSUUUXIRSJN-JCGIZDLHSA-N 1 3 335.467 2.493 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)Cc2cccc(F)c2)CC[N@H+]1C ZINC001409569717 1190051313 /nfs/dbraw/zinc/05/13/13/1190051313.db2.gz LLDHSUUUXIRSJN-JCGIZDLHSA-N 1 3 335.467 2.493 10 0 EEAEHO Cc1ncoc1C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001483437901 1190479088 /nfs/dbraw/zinc/47/90/88/1190479088.db2.gz QSOWRRNBPJRMBT-HZPDHXFCSA-N 1 3 348.491 2.232 10 0 EEAEHO CC[C@H](C[NH2+]CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1)OC ZINC001483492543 1190510112 /nfs/dbraw/zinc/51/01/12/1190510112.db2.gz FNZLYEHUCULYNO-QAPCUYQASA-N 1 3 345.503 2.062 10 0 EEAEHO Cc1ccc(C[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C2CC2)c(C)n1 ZINC001483606157 1190584418 /nfs/dbraw/zinc/58/44/18/1190584418.db2.gz BANCZTODCAREPB-SFHVURJKSA-N 1 3 332.492 2.023 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1CC[C@@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001483847995 1191083515 /nfs/dbraw/zinc/08/35/15/1191083515.db2.gz QFLRFCQIPUQNIW-FUHWJXTLSA-N 1 3 327.488 2.391 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1CC[C@@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001483847995 1191083518 /nfs/dbraw/zinc/08/35/18/1191083518.db2.gz QFLRFCQIPUQNIW-FUHWJXTLSA-N 1 3 327.488 2.391 10 0 EEAEHO Cc1ncoc1CNC[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001484108290 1191215712 /nfs/dbraw/zinc/21/57/12/1191215712.db2.gz NOVLZSGPVADPSM-QOKNQOGYSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1ncoc1CNC[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001484108290 1191215714 /nfs/dbraw/zinc/21/57/14/1191215714.db2.gz NOVLZSGPVADPSM-QOKNQOGYSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)CCO2)c1 ZINC001484700569 1191472238 /nfs/dbraw/zinc/47/22/38/1191472238.db2.gz OUCYQVJFLXIAFI-PKOBYXMFSA-N 1 3 347.503 2.213 10 0 EEAEHO CCOCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001484971924 1191596870 /nfs/dbraw/zinc/59/68/70/1191596870.db2.gz JPZPGLOJGZTRLO-IAGOWNOFSA-N 1 3 339.524 2.257 10 0 EEAEHO CCOCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001484971924 1191596872 /nfs/dbraw/zinc/59/68/72/1191596872.db2.gz JPZPGLOJGZTRLO-IAGOWNOFSA-N 1 3 339.524 2.257 10 0 EEAEHO C[C@@H](NCc1ccns1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001485163691 1191675145 /nfs/dbraw/zinc/67/51/45/1191675145.db2.gz PYFNSWWLMACCQR-KGLIPLIRSA-N 1 3 336.505 2.002 10 0 EEAEHO Cc1nc(CNCC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c(C)s1 ZINC001273123247 1194406762 /nfs/dbraw/zinc/40/67/62/1194406762.db2.gz PPQWBXZBWJIKGN-SWLSCSKDSA-N 1 3 338.521 2.086 10 0 EEAEHO Cc1nc(CNCC[C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001273123247 1194406767 /nfs/dbraw/zinc/40/67/67/1194406767.db2.gz PPQWBXZBWJIKGN-SWLSCSKDSA-N 1 3 338.521 2.086 10 0 EEAEHO C[NH+](C)CCCC(=O)NC[C@@H]1[C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]21 ZINC001410114634 1197554864 /nfs/dbraw/zinc/55/48/64/1197554864.db2.gz FWDMJVZXOKQTQW-NNZMDNLPSA-N 1 3 349.906 2.476 10 0 EEAEHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001410392428 1197791915 /nfs/dbraw/zinc/79/19/15/1197791915.db2.gz KQBRZSAPMVHGPW-KBXCAEBGSA-N 1 3 330.476 2.445 10 0 EEAEHO CC(C)(C)S(=O)(=O)CCCN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000872144515 1198053344 /nfs/dbraw/zinc/05/33/44/1198053344.db2.gz GWMCPTMCOQXIEB-INIZCTEOSA-N 1 3 330.538 2.301 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ocnc3C)[C@H]2C1 ZINC001410914569 1198569998 /nfs/dbraw/zinc/56/99/98/1198569998.db2.gz GZNMEQDKLUINSE-ULQDDVLXSA-N 1 3 348.491 2.042 10 0 EEAEHO CN(CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cncs2)C1)C1CCC1 ZINC001410949424 1198615025 /nfs/dbraw/zinc/61/50/25/1198615025.db2.gz IKPBANUJWHWVGX-ZIAGYGMSSA-N 1 3 336.505 2.002 10 0 EEAEHO CCOC1CC(C[N@H+](C)CCN(C(=O)[C@@H]2CCCN2C)C(C)C)C1 ZINC001411182071 1198874719 /nfs/dbraw/zinc/87/47/19/1198874719.db2.gz FNCMVEQKTDUHFH-ABHNRTSZSA-N 1 3 339.524 2.065 10 0 EEAEHO CCOC1CC(C[N@@H+](C)CCN(C(=O)[C@@H]2CCCN2C)C(C)C)C1 ZINC001411182071 1198874721 /nfs/dbraw/zinc/87/47/21/1198874721.db2.gz FNCMVEQKTDUHFH-ABHNRTSZSA-N 1 3 339.524 2.065 10 0 EEAEHO COC(=O)[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000886636411 1202537695 /nfs/dbraw/zinc/53/76/95/1202537695.db2.gz NDXNXQIJLIFJEM-ROUUACIJSA-N 1 3 331.460 2.225 10 0 EEAEHO Cc1cnc(CNCCCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC001276053412 1205754040 /nfs/dbraw/zinc/75/40/40/1205754040.db2.gz XAFSJLCFYANFQZ-HNNXBMFYSA-N 1 3 338.521 2.264 10 0 EEAEHO Cc1cnc(CNCCCN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)s1 ZINC001276053412 1205754041 /nfs/dbraw/zinc/75/40/41/1205754041.db2.gz XAFSJLCFYANFQZ-HNNXBMFYSA-N 1 3 338.521 2.264 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CC[N@@H+]1C ZINC000925343659 1206100399 /nfs/dbraw/zinc/10/03/99/1206100399.db2.gz WPLKNFJUXIIWEQ-ZHALLVOQSA-N 1 3 344.503 2.243 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)CC[N@H+]1C ZINC000925343659 1206100401 /nfs/dbraw/zinc/10/04/01/1206100401.db2.gz WPLKNFJUXIIWEQ-ZHALLVOQSA-N 1 3 344.503 2.243 10 0 EEAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000925535850 1206124445 /nfs/dbraw/zinc/12/44/45/1206124445.db2.gz LSQFZVWUPSCTLX-PVAVHDDUSA-N 1 3 331.460 2.250 10 0 EEAEHO [NH3+][C@H]1C[C@@H](NCCN2CCN(c3cccc(Cl)c3)CC2)C12CCC2 ZINC000925583991 1206132292 /nfs/dbraw/zinc/13/22/92/1206132292.db2.gz ONQDHTIKRODTES-ZWKOTPCHSA-N 1 3 348.922 2.322 10 0 EEAEHO CC1(C)[C@H](NC[C@@H](CO)Cc2ccc(F)c(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925658544 1206140970 /nfs/dbraw/zinc/14/09/70/1206140970.db2.gz PHBLZCKZKLEXCP-IHETXDGRSA-N 1 3 338.442 2.482 10 0 EEAEHO CC1(C)[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)[C@@H]2CCCN[C@@H]21 ZINC000925658544 1206140971 /nfs/dbraw/zinc/14/09/71/1206140971.db2.gz PHBLZCKZKLEXCP-IHETXDGRSA-N 1 3 338.442 2.482 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc(Cl)n1 ZINC000827837842 1248818937 /nfs/dbraw/zinc/81/89/37/1248818937.db2.gz MJQSSGAWDYPJHR-DZGCQCFKSA-N 1 3 338.883 2.280 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc(Cl)n1 ZINC000827837842 1248818946 /nfs/dbraw/zinc/81/89/46/1248818946.db2.gz MJQSSGAWDYPJHR-DZGCQCFKSA-N 1 3 338.883 2.280 10 0 EEAEHO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900579227 1234511902 /nfs/dbraw/zinc/51/19/02/1234511902.db2.gz PBERNACSPSERRW-QGZVFWFLSA-N 1 3 344.459 2.131 10 0 EEAEHO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900579227 1234511905 /nfs/dbraw/zinc/51/19/05/1234511905.db2.gz PBERNACSPSERRW-QGZVFWFLSA-N 1 3 344.459 2.131 10 0 EEAEHO [NH3+][C@@H]1CC[C@H](CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1 ZINC000903431028 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2.447 10 0 EEAEHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCCC[C@H](C2CCOCC2)C1 ZINC000903948566 1242666917 /nfs/dbraw/zinc/66/69/17/1242666917.db2.gz RGFWTEKWISIZHZ-ZWKOTPCHSA-N 1 3 347.507 2.231 10 0 EEAEHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cnc(CC(C)C)s1)C2 ZINC000903978246 1242833196 /nfs/dbraw/zinc/83/31/96/1242833196.db2.gz BWEPTKDUGDLYPJ-AHIWAGSCSA-N 1 3 337.489 2.054 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]2CN(Cc3ocnc3C)CC[C@H]21 ZINC001490983099 1258538477 /nfs/dbraw/zinc/53/84/77/1258538477.db2.gz NQXZGAYPMGKCPM-IAGOWNOFSA-N 1 3 348.491 2.138 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]2CN(Cc3ocnc3C)CC[C@H]21 ZINC001490983099 1258538478 /nfs/dbraw/zinc/53/84/78/1258538478.db2.gz NQXZGAYPMGKCPM-IAGOWNOFSA-N 1 3 348.491 2.138 10 0 EEAEHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCC3OCCO3)C2)ccn1 ZINC000856605546 1293579850 /nfs/dbraw/zinc/57/98/50/1293579850.db2.gz XOOBPQAHQPFMLB-GOSISDBHSA-N 1 3 349.475 2.138 10 0 EEAEHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCC3OCCO3)C2)ccn1 ZINC000856605546 1293579852 /nfs/dbraw/zinc/57/98/52/1293579852.db2.gz XOOBPQAHQPFMLB-GOSISDBHSA-N 1 3 349.475 2.138 10 0 EEAEHO C[C@@H](CCCNCc1cnc(Cl)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001277355848 1302614096 /nfs/dbraw/zinc/61/40/96/1302614096.db2.gz NFWAJHCMVLDCAY-RYUDHWBXSA-N 1 3 344.912 2.123 10 0 EEAEHO C[C@@H](CCCNCc1cnc(Cl)s1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001277355848 1302614106 /nfs/dbraw/zinc/61/41/06/1302614106.db2.gz NFWAJHCMVLDCAY-RYUDHWBXSA-N 1 3 344.912 2.123 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc(Cl)n1 ZINC000841849897 1315623383 /nfs/dbraw/zinc/62/33/83/1315623383.db2.gz OOIOCDYHZRBDTA-PMOUVXMZSA-N 1 3 336.867 2.019 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001265422172 1323148012 /nfs/dbraw/zinc/14/80/12/1323148012.db2.gz CWLZOZDYMMQTIH-IXDFTOQJSA-N 1 3 327.472 2.375 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001265433702 1323152900 /nfs/dbraw/zinc/15/29/00/1323152900.db2.gz HAPDXBMEKVSGPA-KRWDZBQOSA-N 1 3 345.487 2.049 10 0 EEAEHO CCOCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001265706569 1323343606 /nfs/dbraw/zinc/34/36/06/1323343606.db2.gz XIXSZJVLZZEKNR-IRXDYDNUSA-N 1 3 341.540 2.218 10 0 EEAEHO CCOCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001265706569 1323343610 /nfs/dbraw/zinc/34/36/10/1323343610.db2.gz XIXSZJVLZZEKNR-IRXDYDNUSA-N 1 3 341.540 2.218 10 0 EEAEHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1cc(C)ccc1OC ZINC001266070123 1323625131 /nfs/dbraw/zinc/62/51/31/1323625131.db2.gz NWYIGKAYMBTPQA-GOSISDBHSA-N 1 3 347.503 2.426 10 0 EEAEHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1cc(C)ccc1OC ZINC001266070123 1323625139 /nfs/dbraw/zinc/62/51/39/1323625139.db2.gz NWYIGKAYMBTPQA-GOSISDBHSA-N 1 3 347.503 2.426 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001491893606 1330292982 /nfs/dbraw/zinc/29/29/82/1330292982.db2.gz FYUJQLPOVMXLIH-IAGOWNOFSA-N 1 3 336.455 2.080 10 0 EEAEHO Cc1cccc(OCCN(C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001492369126 1331193643 /nfs/dbraw/zinc/19/36/43/1331193643.db2.gz BMEUQQTVAPCUKT-UHFFFAOYSA-N 1 3 347.503 2.296 10 0 EEAEHO CCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C(F)(F)F ZINC001316728266 1331864756 /nfs/dbraw/zinc/86/47/56/1331864756.db2.gz VVYSRCOFFPVTQK-UONOGXRCSA-N 1 3 337.430 2.355 10 0 EEAEHO CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001317088533 1332074720 /nfs/dbraw/zinc/07/47/20/1332074720.db2.gz RKVCPDILGDUFFV-IIDMSEBBSA-N 1 3 325.472 2.402 10 0 EEAEHO CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CCOC2CCC2)CC1)N(C)C ZINC001317677553 1332366248 /nfs/dbraw/zinc/36/62/48/1332366248.db2.gz BNLVFXUHQIBULI-CRAIPNDOSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1cncc(C[NH2+]CCC2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC001318906910 1332621706 /nfs/dbraw/zinc/62/17/06/1332621706.db2.gz GAADXMLBSQIMDD-LJQANCHMSA-N 1 3 344.503 2.203 10 0 EEAEHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]C/C=C\c1ccccc1 ZINC001319130387 1332653447 /nfs/dbraw/zinc/65/34/47/1332653447.db2.gz VDKUBZVSJZKTBN-FUKWUPMWSA-N 1 3 327.472 2.376 10 0 EEAEHO Cc1oncc1C[NH2+]CC[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001320643620 1332927865 /nfs/dbraw/zinc/92/78/65/1332927865.db2.gz HDORDFWUFWLVSK-AWEZNQCLSA-N 1 3 344.459 2.343 10 0 EEAEHO C[C@H](NC/C=C\CNC(=O)C1(C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001321211907 1333046129 /nfs/dbraw/zinc/04/61/29/1333046129.db2.gz UFXYXGNTFJZULU-XVWMLYKFSA-N 1 3 333.451 2.491 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CCc1c(F)cccc1Cl)N(C)C ZINC001321709656 1333146587 /nfs/dbraw/zinc/14/65/87/1333146587.db2.gz FIBSFBURNUZZNH-MLGOLLRUSA-N 1 3 343.874 2.456 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001322693153 1333308975 /nfs/dbraw/zinc/30/89/75/1333308975.db2.gz CODXGEAYJWUYEW-MRXNPFEDSA-N 1 3 342.487 2.448 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001326365916 1334077431 /nfs/dbraw/zinc/07/74/31/1334077431.db2.gz WPRPKRSEPZWQEE-STQMWFEESA-N 1 3 336.307 2.474 10 0 EEAEHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCCCc1ccccc1 ZINC001327923235 1334364404 /nfs/dbraw/zinc/36/44/04/1334364404.db2.gz IWTINCLTHJQEKN-APWZRJJASA-N 1 3 340.471 2.412 10 0 EEAEHO CN(C)C1(C(=O)NCC2=CC[N@H+](CCC[C@@H]3CCOC3)CC2)CCC1 ZINC001333354966 1336018301 /nfs/dbraw/zinc/01/83/01/1336018301.db2.gz USKGVQGXYQJQBY-GOSISDBHSA-N 1 3 349.519 2.036 10 0 EEAEHO CN(C)C1(C(=O)NCC2=CC[N@@H+](CCC[C@@H]3CCOC3)CC2)CCC1 ZINC001333354966 1336018306 /nfs/dbraw/zinc/01/83/06/1336018306.db2.gz USKGVQGXYQJQBY-GOSISDBHSA-N 1 3 349.519 2.036 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCC2=CC[N@H+](CCc3cccs3)CC2)C1 ZINC001333406617 1336036905 /nfs/dbraw/zinc/03/69/05/1336036905.db2.gz NELZCOWYZWWGOS-INIZCTEOSA-N 1 3 347.528 2.381 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCC2=CC[N@@H+](CCc3cccs3)CC2)C1 ZINC001333406617 1336036909 /nfs/dbraw/zinc/03/69/09/1336036909.db2.gz NELZCOWYZWWGOS-INIZCTEOSA-N 1 3 347.528 2.381 10 0 EEAEHO Cc1ncc(CN[C@H]2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)o1 ZINC001567176054 1342705177 /nfs/dbraw/zinc/70/51/77/1342705177.db2.gz HKHMGSAUBHEBEE-HOTGVXAUSA-N 1 3 336.480 2.232 10 0 EEAEHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)NCc1ccc(Cl)nc1 ZINC001570626863 1343093922 /nfs/dbraw/zinc/09/39/22/1343093922.db2.gz HUXRZGWCUPHSPD-QWHCGFSZSA-N 1 3 338.883 2.060 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCOc2cccc(C)c2)C[C@H]1C ZINC001571491211 1343219262 /nfs/dbraw/zinc/21/92/62/1343219262.db2.gz OEBFBPUQOTXKMO-QZTJIDSGSA-N 1 3 347.503 2.295 10 0 EEAEHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1=CCN(CCOCC2CC2)CC1 ZINC001571700408 1343281382 /nfs/dbraw/zinc/28/13/82/1343281382.db2.gz BMDLMYJVPXBDKR-IAGOWNOFSA-N 1 3 349.519 2.034 10 0 EEAEHO CCOCCN1CC=C(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001677606856 1357370018 /nfs/dbraw/zinc/37/00/18/1357370018.db2.gz BFKKHSZRDGLCSV-KRWDZBQOSA-N 1 3 337.508 2.036 10 0 EEAEHO CCc1ccccc1CC[NH2+]CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001649441325 1353506909 /nfs/dbraw/zinc/50/69/09/1353506909.db2.gz WEPIKODHNYVLSA-KRWDZBQOSA-N 1 3 331.504 2.181 10 0 EEAEHO C[C@H](CNCc1cccc(Cl)n1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001666991435 1355628947 /nfs/dbraw/zinc/62/89/47/1355628947.db2.gz CHPJUTPQONPPBS-UONOGXRCSA-N 1 3 338.883 2.013 10 0 EEAEHO C[C@H](CNCc1cccc(Cl)n1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001666991435 1355628951 /nfs/dbraw/zinc/62/89/51/1355628951.db2.gz CHPJUTPQONPPBS-UONOGXRCSA-N 1 3 338.883 2.013 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1CC[NH2+]CC[C@H]1CCOC1 ZINC001667307104 1355705259 /nfs/dbraw/zinc/70/52/59/1355705259.db2.gz QQQYSPNNAZKWMF-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H](CCNCc1c(F)cccc1Cl)NC(=O)CC[NH+](C)C ZINC001668197183 1355897217 /nfs/dbraw/zinc/89/72/17/1355897217.db2.gz NFMKBIIEGHWCFZ-LBPRGKRZSA-N 1 3 329.847 2.415 10 0 EEAEHO CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)N(CC)CC ZINC001672531596 1356547802 /nfs/dbraw/zinc/54/78/02/1356547802.db2.gz XFMVLYPUNQINJC-FGTMMUONSA-N 1 3 339.524 2.209 10 0 EEAEHO CCOCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)N(CC)CC ZINC001672531596 1356547804 /nfs/dbraw/zinc/54/78/04/1356547804.db2.gz XFMVLYPUNQINJC-FGTMMUONSA-N 1 3 339.524 2.209 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cncc(C)c2)C1)N(C)C ZINC001672816762 1356591665 /nfs/dbraw/zinc/59/16/65/1356591665.db2.gz WLKBJFLXSWYCCP-SJLPKXTDSA-N 1 3 332.492 2.058 10 0 EEAEHO COCCC[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CCCC1 ZINC001698803023 1405076504 /nfs/dbraw/zinc/07/65/04/1405076504.db2.gz KWXUSEFBVNFJRH-QGZVFWFLSA-N 1 3 339.524 2.306 10 0 EEAEHO CN(CCC[NH2+]CCc1ccc(Cl)cc1)C(=O)CN1CCCC1 ZINC001699551232 1405388121 /nfs/dbraw/zinc/38/81/21/1405388121.db2.gz QMVAISFVPKFQBD-UHFFFAOYSA-N 1 3 337.895 2.416 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC000912302977 788084824 /nfs/dbraw/zinc/08/48/24/788084824.db2.gz HIZNZBLCAKYDLR-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC000912302977 788084831 /nfs/dbraw/zinc/08/48/31/788084831.db2.gz HIZNZBLCAKYDLR-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc(Cl)n1 ZINC000844174544 788886206 /nfs/dbraw/zinc/88/62/06/788886206.db2.gz KKWNIDPNQXUVMJ-ILXRZTDVSA-N 1 3 336.867 2.176 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc(Cl)n1 ZINC000844174544 788886226 /nfs/dbraw/zinc/88/62/26/788886226.db2.gz KKWNIDPNQXUVMJ-ILXRZTDVSA-N 1 3 336.867 2.176 10 0 EEAEHO Fc1cccc(CN(C[C@@H]2CCCO2)C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923308571 789343410 /nfs/dbraw/zinc/34/34/10/789343410.db2.gz FGLMGFFUAQVMPF-ROUUACIJSA-N 1 3 334.435 2.185 10 0 EEAEHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000923451410 789582764 /nfs/dbraw/zinc/58/27/64/789582764.db2.gz LNCVDIJDZMUQFC-GOSISDBHSA-N 1 3 338.455 2.473 10 0 EEAEHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000713432090 794598039 /nfs/dbraw/zinc/59/80/39/794598039.db2.gz NOWDQLSHESKMKV-HLNWXESRSA-N 1 3 327.472 2.285 10 0 EEAEHO CC(C)[C@H](C(=O)OC[C@H]1CN(C(C)C)CCO1)[NH+]1CCCCC1 ZINC000789773089 808210293 /nfs/dbraw/zinc/21/02/93/808210293.db2.gz OSAPUQSHIUSEKC-IAGOWNOFSA-N 1 3 326.481 2.149 10 0 EEAEHO COCc1ccc(CN2CCC(N(C)C(=O)CC[NH+](C)C)CC2)cc1 ZINC001436673063 1088117255 /nfs/dbraw/zinc/11/72/55/1088117255.db2.gz KTDIQUSLHDAVHC-UHFFFAOYSA-N 1 3 347.503 2.208 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001436922491 1088582615 /nfs/dbraw/zinc/58/26/15/1088582615.db2.gz AEZRNXWXQBXXLN-RBSFLKMASA-N 1 3 331.451 2.391 10 0 EEAEHO C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NCc1cncc(F)c1 ZINC001437142203 1089134928 /nfs/dbraw/zinc/13/49/28/1089134928.db2.gz DFPCHWCYJMEPPT-KBXCAEBGSA-N 1 3 348.466 2.222 10 0 EEAEHO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)NCc1cncc(F)c1 ZINC001437142203 1089134936 /nfs/dbraw/zinc/13/49/36/1089134936.db2.gz DFPCHWCYJMEPPT-KBXCAEBGSA-N 1 3 348.466 2.222 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC001437424182 1089712139 /nfs/dbraw/zinc/71/21/39/1089712139.db2.gz YLMKBXJPQJWMGB-CXAGYDPISA-N 1 3 326.444 2.433 10 0 EEAEHO CCN(CCNC(=O)C1(C[NH+](C)C)CC1)Cc1ccc2cc[nH]c2c1 ZINC001437617842 1090126704 /nfs/dbraw/zinc/12/67/04/1090126704.db2.gz NWHPJHBTZGBTMN-UHFFFAOYSA-N 1 3 342.487 2.448 10 0 EEAEHO CN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCC(F)(F)F)C1 ZINC001437980190 1090572644 /nfs/dbraw/zinc/57/26/44/1090572644.db2.gz UDJHNWCJJBLJCO-KBPBESRZSA-N 1 3 335.414 2.203 10 0 EEAEHO CN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCC(F)(F)F)C1 ZINC001437980190 1090572645 /nfs/dbraw/zinc/57/26/45/1090572645.db2.gz UDJHNWCJJBLJCO-KBPBESRZSA-N 1 3 335.414 2.203 10 0 EEAEHO CC[C@H](F)CNCc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001438446046 1090950452 /nfs/dbraw/zinc/95/04/52/1090950452.db2.gz HQXYSCZQQLGQPY-SFHVURJKSA-N 1 3 335.467 2.482 10 0 EEAEHO C[C@H](CNCc1cncc(F)c1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001438668762 1091157700 /nfs/dbraw/zinc/15/77/00/1091157700.db2.gz VGMZOXFMFQQSJQ-PBHICJAKSA-N 1 3 336.455 2.032 10 0 EEAEHO C[C@H](CNCc1cncc(F)c1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001438668762 1091157713 /nfs/dbraw/zinc/15/77/13/1091157713.db2.gz VGMZOXFMFQQSJQ-PBHICJAKSA-N 1 3 336.455 2.032 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccnc1C ZINC001438716207 1091238084 /nfs/dbraw/zinc/23/80/84/1091238084.db2.gz SYSOUEZSMYLWPM-CRAIPNDOSA-N 1 3 332.492 2.201 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](NCc1ccccn1)C(C)C ZINC001438795893 1091401180 /nfs/dbraw/zinc/40/11/80/1091401180.db2.gz DJZBIVSGJDDIML-ZWKOTPCHSA-N 1 3 332.492 2.186 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](NCc1ccccn1)C(C)C ZINC001438795893 1091401185 /nfs/dbraw/zinc/40/11/85/1091401185.db2.gz DJZBIVSGJDDIML-ZWKOTPCHSA-N 1 3 332.492 2.186 10 0 EEAEHO C[C@@H](CN(C)Cc1ccc(F)cc1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445746166 1091576537 /nfs/dbraw/zinc/57/65/37/1091576537.db2.gz IXSBULSBEMBDNW-KSSFIOAISA-N 1 3 333.451 2.104 10 0 EEAEHO CCCC[N@H+](CCOC)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001439696527 1092648480 /nfs/dbraw/zinc/64/84/80/1092648480.db2.gz PGPPEFJKJLOHBR-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCC[N@@H+](CCOC)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001439696527 1092648482 /nfs/dbraw/zinc/64/84/82/1092648482.db2.gz PGPPEFJKJLOHBR-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC(C)C)N(C)C ZINC001440122942 1093183335 /nfs/dbraw/zinc/18/33/35/1093183335.db2.gz LQAHKZIISLHLBA-XMTFNYHQSA-N 1 3 339.524 2.111 10 0 EEAEHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC(C)C)N(C)C ZINC001440122942 1093183338 /nfs/dbraw/zinc/18/33/38/1093183338.db2.gz LQAHKZIISLHLBA-XMTFNYHQSA-N 1 3 339.524 2.111 10 0 EEAEHO CC(C)N(C)CC(=O)NCc1ccc([C@H](C)[NH2+]C[C@H]2CCOC2)cc1 ZINC001440224874 1093305527 /nfs/dbraw/zinc/30/55/27/1093305527.db2.gz RGFAFTWSBPVTRB-FUHWJXTLSA-N 1 3 347.503 2.330 10 0 EEAEHO Cc1cccnc1CN[C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001448698047 1093760653 /nfs/dbraw/zinc/76/06/53/1093760653.db2.gz MCVOFNQEYWCJME-IEBWSBKVSA-N 1 3 346.519 2.447 10 0 EEAEHO Cc1cccnc1CN[C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001448698047 1093760657 /nfs/dbraw/zinc/76/06/57/1093760657.db2.gz MCVOFNQEYWCJME-IEBWSBKVSA-N 1 3 346.519 2.447 10 0 EEAEHO Cc1nocc1CN[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001441238313 1094622940 /nfs/dbraw/zinc/62/29/40/1094622940.db2.gz QOPSGUJIHRPLHB-CRAIPNDOSA-N 1 3 348.491 2.232 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCc3ccsc3)C[C@H]21 ZINC001441306528 1094756537 /nfs/dbraw/zinc/75/65/37/1094756537.db2.gz BGWIPFBDMMBHLJ-NNZMDNLPSA-N 1 3 349.544 2.315 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCCc3ccsc3)C[C@H]21 ZINC001441306528 1094756549 /nfs/dbraw/zinc/75/65/49/1094756549.db2.gz BGWIPFBDMMBHLJ-NNZMDNLPSA-N 1 3 349.544 2.315 10 0 EEAEHO C[C@@H](N[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1F ZINC001441502502 1095185870 /nfs/dbraw/zinc/18/58/70/1095185870.db2.gz GAEVOOGWUSSOLI-KFWWJZLASA-N 1 3 333.451 2.465 10 0 EEAEHO C[C@H](N[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1F ZINC001441502512 1095186318 /nfs/dbraw/zinc/18/63/18/1095186318.db2.gz GAEVOOGWUSSOLI-SOUVJXGZSA-N 1 3 333.451 2.465 10 0 EEAEHO Cc1cccnc1CN[C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001441544687 1095269035 /nfs/dbraw/zinc/26/90/35/1095269035.db2.gz BXXMPWHOXCAJHV-ZIFCJYIRSA-N 1 3 344.503 2.247 10 0 EEAEHO O=C(NC1CCC(NC/C(Cl)=C\Cl)CC1)C12CC[NH+](CC1)C2 ZINC001441759779 1095755592 /nfs/dbraw/zinc/75/55/92/1095755592.db2.gz QPVMYWMAICNBAJ-FMIVXFBMSA-N 1 3 346.302 2.418 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]Cc3cncs3)C2)CCC1 ZINC001442170684 1096434874 /nfs/dbraw/zinc/43/48/74/1096434874.db2.gz CYCCQRSAWKFWSP-KGLIPLIRSA-N 1 3 336.505 2.144 10 0 EEAEHO CC[C@@H](C[NH+]1CCC(C2(NC(=O)CN(C)C(C)C)CC2)CC1)OC ZINC001442265888 1096570616 /nfs/dbraw/zinc/57/06/16/1096570616.db2.gz GXCGMCSJPKOBDH-KRWDZBQOSA-N 1 3 339.524 2.112 10 0 EEAEHO CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001443241323 1097708761 /nfs/dbraw/zinc/70/87/61/1097708761.db2.gz IIJUNZPFKZZBAH-MAUKXSAKSA-N 1 3 327.488 2.437 10 0 EEAEHO CCC[N@H+]1CC[C@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001443241323 1097708764 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C[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000288233135 275037434 /nfs/dbraw/zinc/03/74/34/275037434.db2.gz SRBOGOPDTNIZIY-WDSOQIARSA-N 1 3 342.487 2.334 10 0 EEAEHO C[C@@H](CN(C)C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000288823470 275087185 /nfs/dbraw/zinc/08/71/85/275087185.db2.gz GRTJOSCJCVCWHC-UXDRXVOSSA-N 1 3 344.503 2.431 10 0 EEAEHO C[C@@H](CN(C)C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000288823470 275087186 /nfs/dbraw/zinc/08/71/86/275087186.db2.gz GRTJOSCJCVCWHC-UXDRXVOSSA-N 1 3 344.503 2.431 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000291721757 275333654 /nfs/dbraw/zinc/33/36/54/275333654.db2.gz RBAHLIQYFBFVFA-LPHOPBHVSA-N 1 3 329.488 2.355 10 0 EEAEHO CC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H](O)C(F)F ZINC000423153484 280964518 /nfs/dbraw/zinc/96/45/18/280964518.db2.gz GSNOUBIZSGOYPE-YXPYIKCWSA-N 1 3 326.387 2.237 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000247194884 289186971 /nfs/dbraw/zinc/18/69/71/289186971.db2.gz LLJRMXVCOPYFGU-RTBURBONSA-N 1 3 346.519 2.143 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000247194884 289186973 /nfs/dbraw/zinc/18/69/73/289186973.db2.gz LLJRMXVCOPYFGU-RTBURBONSA-N 1 3 346.519 2.143 10 0 EEAEHO CN1CC[C@H]([NH2+]CC2(N3CCCCC3)CCOCC2)[C@H]2CCC[C@@H]21 ZINC000353400588 290216571 /nfs/dbraw/zinc/21/65/71/290216571.db2.gz FWEGIJLVTXWMSL-QYZOEREBSA-N 1 3 335.536 2.484 10 0 EEAEHO C[NH+](C)C1(CNC(=O)NCCCNCc2cccnc2)CCCCC1 ZINC000416811813 313322409 /nfs/dbraw/zinc/32/24/09/313322409.db2.gz CVGOBYXPZHCEOL-UHFFFAOYSA-N 1 3 347.507 2.125 10 0 EEAEHO N[C@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000418452304 313817555 /nfs/dbraw/zinc/81/75/55/313817555.db2.gz NSNVBZGOUUUTAX-GOSISDBHSA-N 1 3 326.444 2.247 10 0 EEAEHO Cc1cc(CN[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cs1 ZINC000449206752 315432624 /nfs/dbraw/zinc/43/26/24/315432624.db2.gz BFGWODIVHVFJEX-SFHVURJKSA-N 1 3 345.512 2.435 10 0 EEAEHO COC[C@@H](C)CN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000557668870 318690490 /nfs/dbraw/zinc/69/04/90/318690490.db2.gz IXSMPDUFFWZPQY-KRWDZBQOSA-N 1 3 335.492 2.032 10 0 EEAEHO CN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000563727634 319040600 /nfs/dbraw/zinc/04/06/00/319040600.db2.gz WAFFXRWGAXNCHS-PKOBYXMFSA-N 1 3 327.472 2.204 10 0 EEAEHO CN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000563727634 319040603 /nfs/dbraw/zinc/04/06/03/319040603.db2.gz WAFFXRWGAXNCHS-PKOBYXMFSA-N 1 3 327.472 2.204 10 0 EEAEHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000566193966 319258592 /nfs/dbraw/zinc/25/85/92/319258592.db2.gz PSMLWSVPTGXBKX-YJBOKZPZSA-N 1 3 332.492 2.375 10 0 EEAEHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000566193966 319258595 /nfs/dbraw/zinc/25/85/95/319258595.db2.gz PSMLWSVPTGXBKX-YJBOKZPZSA-N 1 3 332.492 2.375 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2CCC(CC[NH3+])CC2)[C@@H]1c1ccccc1 ZINC000566352511 319277913 /nfs/dbraw/zinc/27/79/13/319277913.db2.gz PHNINHUGCRTARN-MSOLQXFVSA-N 1 3 330.476 2.202 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000567625052 319398875 /nfs/dbraw/zinc/39/88/75/319398875.db2.gz CPFFNQGMPCRBGN-CQSZACIVSA-N 1 3 339.430 2.197 10 0 EEAEHO [NH3+]C1CCC(OCC(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000580770745 324125925 /nfs/dbraw/zinc/12/59/25/324125925.db2.gz JSZUMEQNAURMDQ-UHFFFAOYSA-N 1 3 345.487 2.054 10 0 EEAEHO CC[NH+]1CCC(CNC(=O)c2ccccc2OCCN(C)C)CC1 ZINC000067233108 462981390 /nfs/dbraw/zinc/98/13/90/462981390.db2.gz UTMVHKQYHUHDJM-UHFFFAOYSA-N 1 3 333.476 2.089 10 0 EEAEHO CCC[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000073793466 463656927 /nfs/dbraw/zinc/65/69/27/463656927.db2.gz UZLGBOCXDYAXIX-LJQANCHMSA-N 1 3 346.519 2.333 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CN1CCCCC1 ZINC000268883907 463793963 /nfs/dbraw/zinc/79/39/63/463793963.db2.gz YNQMAQDLWOWRNI-GIVPXCGWSA-N 1 3 345.531 2.333 10 0 EEAEHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000568812474 468389056 /nfs/dbraw/zinc/38/90/56/468389056.db2.gz QEJRFIJUMUJNSP-RYQLBKOJSA-N 1 3 332.492 2.460 10 0 EEAEHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000568812474 468389060 /nfs/dbraw/zinc/38/90/60/468389060.db2.gz QEJRFIJUMUJNSP-RYQLBKOJSA-N 1 3 332.492 2.460 10 0 EEAEHO Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000292253103 464173617 /nfs/dbraw/zinc/17/36/17/464173617.db2.gz XWHGWJSRHRUOCX-MAUKXSAKSA-N 1 3 338.879 2.416 10 0 EEAEHO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000292253103 464173621 /nfs/dbraw/zinc/17/36/21/464173621.db2.gz XWHGWJSRHRUOCX-MAUKXSAKSA-N 1 3 338.879 2.416 10 0 EEAEHO C[C@H](CCNC(=O)NC[C@@H]1CCCN1C)[N@H+](C)Cc1ccccc1 ZINC000175385863 464536908 /nfs/dbraw/zinc/53/69/08/464536908.db2.gz AJEWQYPNKUUWMF-AEFFLSMTSA-N 1 3 332.492 2.290 10 0 EEAEHO C[C@H](CCNC(=O)NC[C@@H]1CCCN1C)[N@@H+](C)Cc1ccccc1 ZINC000175385863 464536912 /nfs/dbraw/zinc/53/69/12/464536912.db2.gz AJEWQYPNKUUWMF-AEFFLSMTSA-N 1 3 332.492 2.290 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246968944 464636929 /nfs/dbraw/zinc/63/69/29/464636929.db2.gz JBSFFVWYFGIALB-CEXWTWQISA-N 1 3 346.519 2.331 10 0 EEAEHO Cc1ccc(NC(=O)NC[C@@H]2CCCN2C)c(OCC[NH+](C)C)c1 ZINC000265761872 464676628 /nfs/dbraw/zinc/67/66/28/464676628.db2.gz ZQLLKVMBNUZFRV-HNNXBMFYSA-N 1 3 334.464 2.151 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCC[C@@H]1OC ZINC000339655150 465421875 /nfs/dbraw/zinc/42/18/75/465421875.db2.gz KBYFUAYFEPRKSC-KURKYZTESA-N 1 3 339.524 2.066 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCC[C@@H]1OC ZINC000339655150 465421878 /nfs/dbraw/zinc/42/18/78/465421878.db2.gz KBYFUAYFEPRKSC-KURKYZTESA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000371137705 465613715 /nfs/dbraw/zinc/61/37/15/465613715.db2.gz BZMRWDHHNXRTNK-YJBOKZPZSA-N 1 3 342.487 2.205 10 0 EEAEHO Cc1ccnc(C2CC[NH+](CCCN3CCN(C(C)C)CC3)CC2)n1 ZINC000367245441 466214625 /nfs/dbraw/zinc/21/46/25/466214625.db2.gz XMABYSASUMPLBO-UHFFFAOYSA-N 1 3 345.535 2.381 10 0 EEAEHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN3CCC2CC3)c1 ZINC000367473327 466363580 /nfs/dbraw/zinc/36/35/80/466363580.db2.gz DMYSWUHKHVTASV-UHFFFAOYSA-N 1 3 330.476 2.128 10 0 EEAEHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN3CCC2CC3)c1 ZINC000367473327 466363584 /nfs/dbraw/zinc/36/35/84/466363584.db2.gz DMYSWUHKHVTASV-UHFFFAOYSA-N 1 3 330.476 2.128 10 0 EEAEHO C[C@@H](Cc1ccc(Br)cc1F)NC[C@H](O)C[NH+](C)C ZINC000305163454 466364223 /nfs/dbraw/zinc/36/42/23/466364223.db2.gz XRPKVOJKSBHWRI-GWCFXTLKSA-N 1 3 333.245 2.031 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](CO)c2ccccc2)[C@@H](C)C1 ZINC000361967237 466446042 /nfs/dbraw/zinc/44/60/42/466446042.db2.gz JEILURRRXJVMAL-SXLOBPIMSA-N 1 3 334.504 2.489 10 0 EEAEHO CCOCCC[N@H+]1CC[C@H](NC[C@H](CO)c2ccccc2)[C@@H](C)C1 ZINC000361967237 466446048 /nfs/dbraw/zinc/44/60/48/466446048.db2.gz JEILURRRXJVMAL-SXLOBPIMSA-N 1 3 334.504 2.489 10 0 EEAEHO C[C@H](NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)[C@H]1CCCC[NH2+]1 ZINC000423102271 466691598 /nfs/dbraw/zinc/69/15/98/466691598.db2.gz DTGZCCVDUQGXRO-SWLSCSKDSA-N 1 3 338.883 2.393 10 0 EEAEHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000423106599 466691993 /nfs/dbraw/zinc/69/19/93/466691993.db2.gz JUFIIGUZCGZGPE-DOMZBBRYSA-N 1 3 338.883 2.380 10 0 EEAEHO CCCN(C(=O)N[C@@H](Cc1ccccc1)CN(C)C)C1CC[NH2+]CC1 ZINC000417202395 466801129 /nfs/dbraw/zinc/80/11/29/466801129.db2.gz XOEXNNAUASWESR-SFHVURJKSA-N 1 3 346.519 2.333 10 0 EEAEHO CN(C)CCN(Cc1ccco1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373501358 466825193 /nfs/dbraw/zinc/82/51/93/466825193.db2.gz IMSYAROOLHKGJP-UHFFFAOYSA-N 1 3 348.491 2.370 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CN1Cc1ccccc1 ZINC000417885455 466970191 /nfs/dbraw/zinc/97/01/91/466970191.db2.gz YFINZIUCOWCQBZ-AYBZRNKSSA-N 1 3 342.487 2.185 10 0 EEAEHO [NH3+]CCN(CCc1ccccc1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000418115425 467050020 /nfs/dbraw/zinc/05/00/20/467050020.db2.gz OIRMFGZVWZTGFT-IBGZPJMESA-N 1 3 344.503 2.216 10 0 EEAEHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000418550576 467127611 /nfs/dbraw/zinc/12/76/11/467127611.db2.gz LEJXUVGPGZDLCK-QFBILLFUSA-N 1 3 344.503 2.290 10 0 EEAEHO CCN(C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418624388 467137276 /nfs/dbraw/zinc/13/72/76/467137276.db2.gz YVNICZLPAACWPI-YTQUADARSA-N 1 3 344.503 2.290 10 0 EEAEHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000418751208 467155196 /nfs/dbraw/zinc/15/51/96/467155196.db2.gz QIRZDPRGRCYDJH-HNNXBMFYSA-N 1 3 346.466 2.137 10 0 EEAEHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000418751208 467155199 /nfs/dbraw/zinc/15/51/99/467155199.db2.gz QIRZDPRGRCYDJH-HNNXBMFYSA-N 1 3 346.466 2.137 10 0 EEAEHO CN(C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418764630 467156775 /nfs/dbraw/zinc/15/67/75/467156775.db2.gz KZIIUQPQMCKRCV-KURKYZTESA-N 1 3 330.476 2.030 10 0 EEAEHO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCCNC2)c1 ZINC000415065526 467479243 /nfs/dbraw/zinc/47/92/43/467479243.db2.gz GLKDQANTBLZRRE-KGLIPLIRSA-N 1 3 335.448 2.153 10 0 EEAEHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415063749 467479309 /nfs/dbraw/zinc/47/93/09/467479309.db2.gz ATEVPQDSZAARRY-YOEHRIQHSA-N 1 3 348.516 2.231 10 0 EEAEHO C[C@H]([NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)C(=O)NCCF ZINC000449305216 467629501 /nfs/dbraw/zinc/62/95/01/467629501.db2.gz FGYBIJKEJWSFHV-HOTGVXAUSA-N 1 3 335.467 2.146 10 0 EEAEHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CCCCN2CCO)CC1 ZINC000449393254 467636920 /nfs/dbraw/zinc/63/69/20/467636920.db2.gz LWHWJUCRGLLLBB-YZGWKJHDSA-N 1 3 337.552 2.466 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000514720175 467950848 /nfs/dbraw/zinc/95/08/48/467950848.db2.gz MZHWDWCBUJLSSP-IJEWVQPXSA-N 1 3 345.491 2.282 10 0 EEAEHO COc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000530248877 467968469 /nfs/dbraw/zinc/96/84/69/467968469.db2.gz ROBANQNDVKKCCN-KRWDZBQOSA-N 1 3 334.460 2.294 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(N2CCCCC2)cc1 ZINC000530880833 468015156 /nfs/dbraw/zinc/01/51/56/468015156.db2.gz LLVGFTOVQOISRQ-UHFFFAOYSA-N 1 3 346.519 2.242 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H](C)N2CCCC2)CC1 ZINC000531226053 468037724 /nfs/dbraw/zinc/03/77/24/468037724.db2.gz PTLQBPQJADIHSF-MRXNPFEDSA-N 1 3 330.476 2.207 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000557635324 468642447 /nfs/dbraw/zinc/64/24/47/468642447.db2.gz YOWQEGIIJIHFEF-AOIWGVFYSA-N 1 3 329.488 2.498 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000557635324 468642450 /nfs/dbraw/zinc/64/24/50/468642450.db2.gz YOWQEGIIJIHFEF-AOIWGVFYSA-N 1 3 329.488 2.498 10 0 EEAEHO CN(C)CCOc1cccc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000562744114 469059001 /nfs/dbraw/zinc/05/90/01/469059001.db2.gz LCLSQRKKUTWOAI-LJQANCHMSA-N 1 3 346.475 2.234 10 0 EEAEHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC2(N)CCOCC2)cc1 ZINC000629520191 469571601 /nfs/dbraw/zinc/57/16/01/469571601.db2.gz DGLIFTLHRWSDMV-AWEZNQCLSA-N 1 3 334.464 2.375 10 0 EEAEHO C[C@H]1CC[C@H](NCc2ccccc2N(C)C2CCN(C)CC2)C[NH2+]1 ZINC000629660593 469601019 /nfs/dbraw/zinc/60/10/19/469601019.db2.gz WFMCSBBQPTXOHC-WMZOPIPTSA-N 1 3 330.520 2.447 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)N[C@H]1CCCN(C)C1 ZINC000607236565 469677484 /nfs/dbraw/zinc/67/74/84/469677484.db2.gz VHDHONYCZQHFBY-MJGOQNOKSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@H]1CCCN(C)C1 ZINC000607236565 469677486 /nfs/dbraw/zinc/67/74/86/469677486.db2.gz VHDHONYCZQHFBY-MJGOQNOKSA-N 1 3 344.503 2.387 10 0 EEAEHO Cc1[nH]c2ccccc2c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504476 469700392 /nfs/dbraw/zinc/70/03/92/469700392.db2.gz XNXHHFLVBCAAAZ-AWEZNQCLSA-N 1 3 330.476 2.478 10 0 EEAEHO Cc1[nH]c2ccccc2c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504476 469700393 /nfs/dbraw/zinc/70/03/93/469700393.db2.gz XNXHHFLVBCAAAZ-AWEZNQCLSA-N 1 3 330.476 2.478 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000617504869 469704568 /nfs/dbraw/zinc/70/45/68/469704568.db2.gz NJQPFLMOLSAXAW-AWEZNQCLSA-N 1 3 348.466 2.238 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000617504869 469704571 /nfs/dbraw/zinc/70/45/71/469704571.db2.gz NJQPFLMOLSAXAW-AWEZNQCLSA-N 1 3 348.466 2.238 10 0 EEAEHO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N3CCN(CC)CC3)cc2)C1 ZINC000619900494 469707021 /nfs/dbraw/zinc/70/70/21/469707021.db2.gz VTYVQRSHFBQOQY-SFHVURJKSA-N 1 3 344.503 2.043 10 0 EEAEHO CCC[N@H+]1CC[C@H](NC(=O)c2ccc(N3CCN(CC)CC3)cc2)C1 ZINC000619900494 469707025 /nfs/dbraw/zinc/70/70/25/469707025.db2.gz VTYVQRSHFBQOQY-SFHVURJKSA-N 1 3 344.503 2.043 10 0 EEAEHO CC[NH+](CC)C[C@H]1CCN(C[C@@H](O)CN(C)Cc2ccccc2)C1 ZINC000608507935 469829799 /nfs/dbraw/zinc/82/97/99/469829799.db2.gz PGOCCSQGAZHMJF-UXHICEINSA-N 1 3 333.520 2.143 10 0 EEAEHO CCN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(CC)C1 ZINC000617923428 469837716 /nfs/dbraw/zinc/83/77/16/469837716.db2.gz CEQBIWGWDSSHHA-RTBURBONSA-N 1 3 329.488 2.451 10 0 EEAEHO CCN(C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(CC)C1 ZINC000617923428 469837718 /nfs/dbraw/zinc/83/77/18/469837718.db2.gz CEQBIWGWDSSHHA-RTBURBONSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@H]1CC[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)C[NH2+]1 ZINC000627195454 469840503 /nfs/dbraw/zinc/84/05/03/469840503.db2.gz KXJVNSFWEGRGAX-YOEHRIQHSA-N 1 3 336.455 2.039 10 0 EEAEHO C[C@H](N[C@H]1CCN(C2CCC2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000624342280 469910585 /nfs/dbraw/zinc/91/05/85/469910585.db2.gz BCFAGWRGHLQABQ-KXBFYZLASA-N 1 3 345.487 2.431 10 0 EEAEHO COCCCn1nccc1C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647249155 470867620 /nfs/dbraw/zinc/86/76/20/470867620.db2.gz FSBLZPBYUYLOCT-QUCCMNQESA-N 1 3 342.487 2.355 10 0 EEAEHO c1cc(CNCC2CC[NH+](C3CCOCC3)CC2)n(CC2CC2)n1 ZINC000657537198 471163865 /nfs/dbraw/zinc/16/38/65/471163865.db2.gz CDCVATBJVCDHEF-UHFFFAOYSA-N 1 3 332.492 2.274 10 0 EEAEHO C[NH2+]CCCC(=O)N1CCC(NCc2ccsc2Cl)CC1 ZINC000663506873 471405133 /nfs/dbraw/zinc/40/51/33/471405133.db2.gz WNSMTUQSRZJQAE-UHFFFAOYSA-N 1 3 329.897 2.482 10 0 EEAEHO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659031806 471474563 /nfs/dbraw/zinc/47/45/63/471474563.db2.gz OELRFQCLSQRXAJ-PBHICJAKSA-N 1 3 334.464 2.199 10 0 EEAEHO CCN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000663698551 471481610 /nfs/dbraw/zinc/48/16/10/471481610.db2.gz ZECDLEKDQFPGGB-OALUTQOASA-N 1 3 344.503 2.387 10 0 EEAEHO CCN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000663698551 471481615 /nfs/dbraw/zinc/48/16/15/471481615.db2.gz ZECDLEKDQFPGGB-OALUTQOASA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000669420312 471489767 /nfs/dbraw/zinc/48/97/67/471489767.db2.gz IXAUDBHZQZTIHQ-NZSAHSFTSA-N 1 3 344.503 2.196 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655915757 471537353 /nfs/dbraw/zinc/53/73/53/471537353.db2.gz XLBORNKKNSCTTL-MRVWCRGKSA-N 1 3 344.381 2.011 10 0 EEAEHO O=C(CNC1CC1)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659381412 471599686 /nfs/dbraw/zinc/59/96/86/471599686.db2.gz KQDIADIHYQHIPY-KRWDZBQOSA-N 1 3 327.472 2.157 10 0 EEAEHO O=C(CNC1CC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659381412 471599690 /nfs/dbraw/zinc/59/96/90/471599690.db2.gz KQDIADIHYQHIPY-KRWDZBQOSA-N 1 3 327.472 2.157 10 0 EEAEHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000667756576 471894021 /nfs/dbraw/zinc/89/40/21/471894021.db2.gz ZOBKEEOHVOVHAY-AZUAARDMSA-N 1 3 330.472 2.300 10 0 EEAEHO [NH3+][C@@H]1C[C@@H](NCc2ccc(CN3CC[C@@H](O)C3)cc2)c2ccccc21 ZINC000665241011 471976972 /nfs/dbraw/zinc/97/69/72/471976972.db2.gz XWNCGLCPWHDNES-DUXKGJEZSA-N 1 3 337.467 2.488 10 0 EEAEHO C[C@@H]1C[C@H](Nc2nccnc2N[C@H]2CCN(C)[C@@H](C)C2)CC[N@@H+]1C ZINC000680958760 486098095 /nfs/dbraw/zinc/09/80/95/486098095.db2.gz JLSORZRDTPSPQP-GEEKYZPCSA-N 1 3 332.496 2.266 10 0 EEAEHO C[C@@H]1C[C@H](Nc2nccnc2N[C@H]2CCN(C)[C@@H](C)C2)CC[N@H+]1C ZINC000680958760 486098104 /nfs/dbraw/zinc/09/81/04/486098104.db2.gz JLSORZRDTPSPQP-GEEKYZPCSA-N 1 3 332.496 2.266 10 0 EEAEHO C[C@@H]1C[C@H](Nc2nccnc2N[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1C ZINC000680958760 486098109 /nfs/dbraw/zinc/09/81/09/486098109.db2.gz JLSORZRDTPSPQP-GEEKYZPCSA-N 1 3 332.496 2.266 10 0 EEAEHO C[C@@H]1C[C@H](Nc2nccnc2N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1C ZINC000680958760 486098116 /nfs/dbraw/zinc/09/81/16/486098116.db2.gz JLSORZRDTPSPQP-GEEKYZPCSA-N 1 3 332.496 2.266 10 0 EEAEHO CCN1CC[C@H]([N@H+](C)Cc2cccc(NS(C)(=O)=O)c2)[C@@H](C)C1 ZINC000678278025 486608959 /nfs/dbraw/zinc/60/89/59/486608959.db2.gz SFLQCTWQAMGQKD-YOEHRIQHSA-N 1 3 339.505 2.220 10 0 EEAEHO CCN1CC[C@H]([N@@H+](C)Cc2cccc(NS(C)(=O)=O)c2)[C@@H](C)C1 ZINC000678278025 486608963 /nfs/dbraw/zinc/60/89/63/486608963.db2.gz SFLQCTWQAMGQKD-YOEHRIQHSA-N 1 3 339.505 2.220 10 0 EEAEHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000246219972 535772624 /nfs/dbraw/zinc/77/26/24/535772624.db2.gz GPLRUKPWJIFCEY-CEXWTWQISA-N 1 3 329.488 2.484 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000732134711 577150475 /nfs/dbraw/zinc/15/04/75/577150475.db2.gz GIIBPTCAVRDJFP-SFHVURJKSA-N 1 3 333.476 2.464 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCN1C ZINC000915163152 684058470 /nfs/dbraw/zinc/05/84/70/684058470.db2.gz AKVZAEZJAPSTAN-QAPCUYQASA-N 1 3 336.524 2.423 10 0 EEAEHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(Cl)nc1)C1CC1)N(C)C ZINC001266414557 1176505130 /nfs/dbraw/zinc/50/51/30/1176505130.db2.gz DYEBWJRHINULCF-HUUCEWRRSA-N 1 3 338.883 2.060 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2cc(F)ccc2C)CC[N@@H+]1C ZINC001266706320 1177235616 /nfs/dbraw/zinc/23/56/16/1177235616.db2.gz KZAJIKPVSLXKKD-ZWKOTPCHSA-N 1 3 335.467 2.412 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2cc(F)ccc2C)CC[N@H+]1C ZINC001266706320 1177235631 /nfs/dbraw/zinc/23/56/31/1177235631.db2.gz KZAJIKPVSLXKKD-ZWKOTPCHSA-N 1 3 335.467 2.412 10 0 EEAEHO COCCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001266750224 1177348049 /nfs/dbraw/zinc/34/80/49/1177348049.db2.gz SCWQPGBNCKVEPI-QGZVFWFLSA-N 1 3 339.524 2.116 10 0 EEAEHO COCCC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001266750224 1177348054 /nfs/dbraw/zinc/34/80/54/1177348054.db2.gz SCWQPGBNCKVEPI-QGZVFWFLSA-N 1 3 339.524 2.116 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001691182278 1177681649 /nfs/dbraw/zinc/68/16/49/1177681649.db2.gz UXQAJIFDWWZUBE-WKILWMFISA-N 1 3 346.500 2.439 10 0 EEAEHO CN(CCNCc1cncc(F)c1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001267116542 1178279330 /nfs/dbraw/zinc/27/93/30/1178279330.db2.gz CUNVYJMSMYNFBT-UHFFFAOYSA-N 1 3 344.434 2.144 10 0 EEAEHO Cc1nc(C)c(C[N@@H+](CCCNC(=O)[C@@H]2CCCN2C)C(C)C)o1 ZINC001267499416 1179186250 /nfs/dbraw/zinc/18/62/50/1179186250.db2.gz VAZAVUAWAORBPK-INIZCTEOSA-N 1 3 336.480 2.102 10 0 EEAEHO Cc1nc(C)c(C[N@H+](CCCNC(=O)[C@@H]2CCCN2C)C(C)C)o1 ZINC001267499416 1179186252 /nfs/dbraw/zinc/18/62/52/1179186252.db2.gz VAZAVUAWAORBPK-INIZCTEOSA-N 1 3 336.480 2.102 10 0 EEAEHO COCCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001267567844 1179382597 /nfs/dbraw/zinc/38/25/97/1179382597.db2.gz QONOWFPYQHSECW-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001267567844 1179382605 /nfs/dbraw/zinc/38/26/05/1179382605.db2.gz QONOWFPYQHSECW-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001481040811 1179600118 /nfs/dbraw/zinc/60/01/18/1179600118.db2.gz XLJQFZSYKGUNPY-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO COCCCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001481040811 1179600122 /nfs/dbraw/zinc/60/01/22/1179600122.db2.gz XLJQFZSYKGUNPY-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CC3CC4(CCC4)C3)C2)C1 ZINC001481111254 1179761971 /nfs/dbraw/zinc/76/19/71/1179761971.db2.gz GLGLWMVXTMJWQT-SJORKVTESA-N 1 3 333.520 2.347 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CC3CC4(CCC4)C3)C2)C1 ZINC001481111254 1179761974 /nfs/dbraw/zinc/76/19/74/1179761974.db2.gz GLGLWMVXTMJWQT-SJORKVTESA-N 1 3 333.520 2.347 10 0 EEAEHO Cc1ccc(CN(CCNC(=O)C23CC[NH+](CC2)C3)C2CC2)cc1C ZINC001481194573 1180063147 /nfs/dbraw/zinc/06/31/47/1180063147.db2.gz LWDOXRGADGKQFN-UHFFFAOYSA-N 1 3 341.499 2.480 10 0 EEAEHO CC[C@@H](F)C[NH2+]CC[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001267885842 1180686645 /nfs/dbraw/zinc/68/66/45/1180686645.db2.gz BJBQJMNWJFDWDV-HZPDHXFCSA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](CC[NH2+]Cc2cccnc2)C1 ZINC001267900897 1180725111 /nfs/dbraw/zinc/72/51/11/1180725111.db2.gz PVUBHTKTLGUZEF-KRWDZBQOSA-N 1 3 332.492 2.140 10 0 EEAEHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(CCNC/C(Cl)=C/Cl)CC2)C1 ZINC001267919154 1180763838 /nfs/dbraw/zinc/76/38/38/1180763838.db2.gz RCDGVAJVAYSWME-MKRLJBPISA-N 1 3 348.318 2.475 10 0 EEAEHO C[N@H+]1CC[C@@H](C(=O)N2CCC(CCNC/C(Cl)=C/Cl)CC2)C1 ZINC001267919154 1180763842 /nfs/dbraw/zinc/76/38/42/1180763842.db2.gz RCDGVAJVAYSWME-MKRLJBPISA-N 1 3 348.318 2.475 10 0 EEAEHO COC[C@@H](C)N1CC[C@H](N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001481732383 1182412486 /nfs/dbraw/zinc/41/24/86/1182412486.db2.gz MYSIKOHEGLBKND-WBVHZDCISA-N 1 3 339.524 2.207 10 0 EEAEHO COC[C@@H](C)N1CC[C@H](N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001481732383 1182412509 /nfs/dbraw/zinc/41/25/09/1182412509.db2.gz MYSIKOHEGLBKND-WBVHZDCISA-N 1 3 339.524 2.207 10 0 EEAEHO Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)CN2CC[C@H](C)C2)cc1F ZINC001268400472 1182492818 /nfs/dbraw/zinc/49/28/18/1182492818.db2.gz XPKFUOJOMLKSAV-HOCLYGCPSA-N 1 3 335.467 2.460 10 0 EEAEHO CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001268478001 1182905663 /nfs/dbraw/zinc/90/56/63/1182905663.db2.gz YNVPZRUWWCRZSV-AWEZNQCLSA-N 1 3 326.872 2.013 10 0 EEAEHO Cc1nsc(C)c1CNC[C@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001481939975 1182997563 /nfs/dbraw/zinc/99/75/63/1182997563.db2.gz DQZZTEKRHOELNX-KRWDZBQOSA-N 1 3 338.521 2.086 10 0 EEAEHO CCN(CC[NH2+]CC1CCOCC1)C(=O)c1cccc(CN(C)C)c1 ZINC001268499316 1183029120 /nfs/dbraw/zinc/02/91/20/1183029120.db2.gz JQCVWPWAWDKUBH-UHFFFAOYSA-N 1 3 347.503 2.227 10 0 EEAEHO Cc1nocc1C[NH2+]CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001481998912 1183107826 /nfs/dbraw/zinc/10/78/26/1183107826.db2.gz BLZJVCNBCKVHCX-UHFFFAOYSA-N 1 3 348.491 2.186 10 0 EEAEHO CN(CC(=O)N1CCC(CC[NH2+]Cc2ccccn2)CC1)C1CCC1 ZINC001481999353 1183112868 /nfs/dbraw/zinc/11/28/68/1183112868.db2.gz LGSRRAWEYDZDBA-UHFFFAOYSA-N 1 3 344.503 2.284 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001482068091 1183289471 /nfs/dbraw/zinc/28/94/71/1183289471.db2.gz CGLVDEILNOIPLD-ZIAGYGMSSA-N 1 3 335.414 2.394 10 0 EEAEHO CC(C)(C(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCF)N1CCCCC1 ZINC001268757636 1183677742 /nfs/dbraw/zinc/67/77/42/1183677742.db2.gz DJVDDTHCDGBGMO-HOTGVXAUSA-N 1 3 327.488 2.485 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NCC2(NCc3cncs3)CCCC2)C1 ZINC001482235788 1184477034 /nfs/dbraw/zinc/47/70/34/1184477034.db2.gz SXGMELUSILAMPI-AWEZNQCLSA-N 1 3 336.505 2.004 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NCC2(NCc3cncs3)CCCC2)C1 ZINC001482235788 1184477037 /nfs/dbraw/zinc/47/70/37/1184477037.db2.gz SXGMELUSILAMPI-AWEZNQCLSA-N 1 3 336.505 2.004 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCCCCOC)C2)C1)N(C)C ZINC001269740588 1184574285 /nfs/dbraw/zinc/57/42/85/1184574285.db2.gz GPKYYRWMTILRFX-IEBWSBKVSA-N 1 3 339.524 2.068 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCCCCOC)C2)C1)N(C)C ZINC001269740588 1184574290 /nfs/dbraw/zinc/57/42/90/1184574290.db2.gz GPKYYRWMTILRFX-IEBWSBKVSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1ncoc1CNCC[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001269785247 1184619486 /nfs/dbraw/zinc/61/94/86/1184619486.db2.gz LOXWACUVFAEOAH-IRXDYDNUSA-N 1 3 348.491 2.043 10 0 EEAEHO Cc1ncoc1CNCC[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001269785247 1184619491 /nfs/dbraw/zinc/61/94/91/1184619491.db2.gz LOXWACUVFAEOAH-IRXDYDNUSA-N 1 3 348.491 2.043 10 0 EEAEHO CC(C)[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1ccccc1F ZINC001482554561 1186716528 /nfs/dbraw/zinc/71/65/28/1186716528.db2.gz VLWFEMFYZAZMMH-LPHOPBHVSA-N 1 3 349.494 2.440 10 0 EEAEHO Cc1cccc(CCC[NH2+]C/C=C/CNC(=O)[C@@H]2CCCN2C)c1 ZINC001482992139 1187969829 /nfs/dbraw/zinc/96/98/29/1187969829.db2.gz VRXPEHHSBHOXRD-RTLBZRNLSA-N 1 3 329.488 2.284 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]C[C@@H](O)c1ccccc1 ZINC001483171833 1189010650 /nfs/dbraw/zinc/01/06/50/1189010650.db2.gz ALMRCUXHJARCDZ-BHIYHBOVSA-N 1 3 347.503 2.077 10 0 EEAEHO C[C@@H](CNCc1ccc(Cl)nc1)NC(=O)CC[NH+]1CCCCC1 ZINC001483296668 1190319463 /nfs/dbraw/zinc/31/94/63/1190319463.db2.gz NOBSZDMYZGMBNE-AWEZNQCLSA-N 1 3 338.883 2.205 10 0 EEAEHO CN(CCC[NH2+]CC[C@@H]1CCCC1(F)F)C(=O)[C@@H]1CCCN1C ZINC001483456439 1190484988 /nfs/dbraw/zinc/48/49/88/1190484988.db2.gz WINZBZWBZNANNW-GJZGRUSLSA-N 1 3 331.451 2.344 10 0 EEAEHO COc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)c1C ZINC001486095494 1193679666 /nfs/dbraw/zinc/67/96/66/1193679666.db2.gz JLWJLYXEVYSFGY-FUHWJXTLSA-N 1 3 347.503 2.423 10 0 EEAEHO C[C@@H]1C[C@@H]([NH2+]CCCOc2ccccc2)CN1C(=O)CN1CCCC1 ZINC001486125585 1193688925 /nfs/dbraw/zinc/68/89/25/1193688925.db2.gz CCGJSGIJMOVQOC-QZTJIDSGSA-N 1 3 345.487 2.130 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1CC[C@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001483847997 1191083354 /nfs/dbraw/zinc/08/33/54/1191083354.db2.gz QFLRFCQIPUQNIW-WMZOPIPTSA-N 1 3 327.488 2.391 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1CC[C@]2(CCN(C[C@@H](F)CC)C2)C1 ZINC001483847997 1191083355 /nfs/dbraw/zinc/08/33/55/1191083355.db2.gz QFLRFCQIPUQNIW-WMZOPIPTSA-N 1 3 327.488 2.391 10 0 EEAEHO CN(CC(=O)N1CCC[C@H]1C[NH2+]CC[C@H]1CCCCO1)C1CCC1 ZINC001483934379 1191123526 /nfs/dbraw/zinc/12/35/26/1191123526.db2.gz PEJWOCQEOHNXCV-ZWKOTPCHSA-N 1 3 337.508 2.011 10 0 EEAEHO CC(C)[C@H](C(=O)NCC1([NH2+]Cc2ccccc2)CCOCC1)N(C)C ZINC001484190037 1191265495 /nfs/dbraw/zinc/26/54/95/1191265495.db2.gz AHCXIRPRCJMMRE-GOSISDBHSA-N 1 3 347.503 2.028 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCOC(C)C)C2 ZINC001484321121 1191303612 /nfs/dbraw/zinc/30/36/12/1191303612.db2.gz CQJOYAXEAHSUHK-ULQDDVLXSA-N 1 3 348.491 2.045 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCOC(C)C)C2 ZINC001484321121 1191303615 /nfs/dbraw/zinc/30/36/15/1191303615.db2.gz CQJOYAXEAHSUHK-ULQDDVLXSA-N 1 3 348.491 2.045 10 0 EEAEHO CN(CC(=O)N[C@H]1CC[C@H](C[NH2+]C/C=C\Cl)CC1)C1CCC1 ZINC001484568067 1191421279 /nfs/dbraw/zinc/42/12/79/1191421279.db2.gz COSWVTGKUJZIDB-RZUHODDWSA-N 1 3 327.900 2.488 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]C/C=C/Cl)CC2)C1 ZINC001484571758 1191424608 /nfs/dbraw/zinc/42/46/08/1191424608.db2.gz HSDLYCWODFLSRO-GERCFGONSA-N 1 3 327.900 2.345 10 0 EEAEHO COc1cc(C[NH2+]C2(CNC(=O)CN(C)C(C)C)CCC2)ccc1C ZINC001484663217 1191462914 /nfs/dbraw/zinc/46/29/14/1191462914.db2.gz LLHSNTANLGQSKZ-UHFFFAOYSA-N 1 3 347.503 2.472 10 0 EEAEHO CCC1([NH2+]Cc2cc(C)no2)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001484810797 1191532520 /nfs/dbraw/zinc/53/25/20/1191532520.db2.gz LHSDASPMVIWBBM-UHFFFAOYSA-N 1 3 348.491 2.328 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001484940592 1191586543 /nfs/dbraw/zinc/58/65/43/1191586543.db2.gz GGOVMDBLODKFAF-IAGOWNOFSA-N 1 3 341.540 2.216 10 0 EEAEHO CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001484940592 1191586545 /nfs/dbraw/zinc/58/65/45/1191586545.db2.gz GGOVMDBLODKFAF-IAGOWNOFSA-N 1 3 341.540 2.216 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC2(CC1)CC[NH+](CCCF)CC2 ZINC001485010961 1191615349 /nfs/dbraw/zinc/61/53/49/1191615349.db2.gz ARMLTULUFJWKOI-UHFFFAOYSA-N 1 3 327.488 2.391 10 0 EEAEHO COCCCC[NH+]1CC([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001485501976 1191817366 /nfs/dbraw/zinc/81/73/66/1191817366.db2.gz CRKVDUPTAOHXHK-INIZCTEOSA-N 1 3 339.524 2.114 10 0 EEAEHO CCOCCCN1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001486177177 1193715358 /nfs/dbraw/zinc/71/53/58/1193715358.db2.gz PMVQNNBTRRJEPJ-SJORKVTESA-N 1 3 337.508 2.011 10 0 EEAEHO C[N@H+](CC(=O)N1C[C@@H](NCc2ccccn2)C(C)(C)C1)CC(C)(C)C ZINC001486242681 1193769567 /nfs/dbraw/zinc/76/95/67/1193769567.db2.gz MUSKOKYYYPZEBJ-QGZVFWFLSA-N 1 3 346.519 2.386 10 0 EEAEHO C[N@@H+](CC(=O)N1C[C@@H](NCc2ccccn2)C(C)(C)C1)CC(C)(C)C ZINC001486242681 1193769573 /nfs/dbraw/zinc/76/95/73/1193769573.db2.gz MUSKOKYYYPZEBJ-QGZVFWFLSA-N 1 3 346.519 2.386 10 0 EEAEHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CCOc2ccccc2C)C1)N(C)C ZINC001486476966 1193990099 /nfs/dbraw/zinc/99/00/99/1193990099.db2.gz VNKOHEMARFBXFL-ABHNRTSZSA-N 1 3 347.503 2.293 10 0 EEAEHO CCOC(=O)COCC[N@@H+]1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 ZINC000702095957 1195727294 /nfs/dbraw/zinc/72/72/94/1195727294.db2.gz YTPCHXFYCFIRAZ-QUCCMNQESA-N 1 3 346.471 2.020 10 0 EEAEHO CCOC(=O)COCC[N@H+]1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 ZINC000702095957 1195727297 /nfs/dbraw/zinc/72/72/97/1195727297.db2.gz YTPCHXFYCFIRAZ-QUCCMNQESA-N 1 3 346.471 2.020 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001410230192 1197619815 /nfs/dbraw/zinc/61/98/15/1197619815.db2.gz VCVZXCDBCHTHKV-KKUMJFAQSA-N 1 3 331.451 2.248 10 0 EEAEHO Cc1ncccc1CN[C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001410394714 1197796759 /nfs/dbraw/zinc/79/67/59/1197796759.db2.gz ONBKTQONGDYDKU-INIZCTEOSA-N 1 3 344.503 2.203 10 0 EEAEHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCc1ccc(F)c(F)c1 ZINC001410489536 1198043880 /nfs/dbraw/zinc/04/38/80/1198043880.db2.gz UFTUPCGBXOGXNR-UKRRQHHQSA-N 1 3 339.430 2.243 10 0 EEAEHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCc1ccc(F)c(F)c1 ZINC001410489536 1198043887 /nfs/dbraw/zinc/04/38/87/1198043887.db2.gz UFTUPCGBXOGXNR-UKRRQHHQSA-N 1 3 339.430 2.243 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccn(C(C)C)n2)C1 ZINC001410953727 1198621697 /nfs/dbraw/zinc/62/16/97/1198621697.db2.gz KOINUUHPJDFNPJ-DLBZAZTESA-N 1 3 349.523 2.179 10 0 EEAEHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810182504 1199336947 /nfs/dbraw/zinc/33/69/47/1199336947.db2.gz VCKGLRCXIYDCCV-PXNSSMCTSA-N 1 3 349.494 2.488 10 0 EEAEHO CC(C)c1ccc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866708597 1201586171 /nfs/dbraw/zinc/58/61/71/1201586171.db2.gz OZLNGNQALMRUNH-KURKYZTESA-N 1 3 329.444 2.177 10 0 EEAEHO CS[C@H]1CN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C[C@H]1N(C)C ZINC000868180678 1201758788 /nfs/dbraw/zinc/75/87/88/1201758788.db2.gz IBNHWFCGYNJRBA-JJXSEGSLSA-N 1 3 334.489 2.011 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC/C=C\C[NH2+]CC[C@H]1CCCC1(F)F ZINC001274534366 1205070168 /nfs/dbraw/zinc/07/01/68/1205070168.db2.gz LNUAIFJZLHOITP-PYLYLYNFSA-N 1 3 340.418 2.348 10 0 EEAEHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000924551364 1205995124 /nfs/dbraw/zinc/99/51/24/1205995124.db2.gz VKDDTUMNSUSFNT-ZCQXEVHSSA-N 1 3 347.478 2.129 10 0 EEAEHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CCN(C(=O)CCc3ccccc3)C1)[NH2+]2 ZINC000925551062 1206126739 /nfs/dbraw/zinc/12/67/39/1206126739.db2.gz DYULUGLTTRVOHO-JUSBFGHESA-N 1 3 341.499 2.339 10 0 EEAEHO O=C1O[C@@H](CN[C@H]2CCCc3ccc(O)cc32)CC12CC[NH2+]CC2 ZINC000925848879 1206160024 /nfs/dbraw/zinc/16/00/24/1206160024.db2.gz FBFXDZCGCZKHMS-WBVHZDCISA-N 1 3 330.428 2.045 10 0 EEAEHO Cc1c([C@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cnn1C(C)C ZINC000925849068 1206160249 /nfs/dbraw/zinc/16/02/49/1206160249.db2.gz HGSJLOYDANJBJR-ZFWWWQNUSA-N 1 3 334.464 2.108 10 0 EEAEHO COc1ccc([C@@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1F ZINC000925854601 1206161425 /nfs/dbraw/zinc/16/14/25/1206161425.db2.gz NHLQXWXVLBZEOD-OCCSQVGLSA-N 1 3 336.407 2.170 10 0 EEAEHO COc1ccc([C@@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1F ZINC000925854612 1206161466 /nfs/dbraw/zinc/16/14/66/1206161466.db2.gz NHLQXWXVLBZEOD-TZMCWYRMSA-N 1 3 336.407 2.170 10 0 EEAEHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1cnnn1-c1ccccc1 ZINC000926686912 1206237519 /nfs/dbraw/zinc/23/75/19/1206237519.db2.gz SQSMRULQYLUHJZ-DLBZAZTESA-N 1 3 344.507 2.190 10 0 EEAEHO CS[C@H]1CN(C(=O)c2ccc(NC3=NCCC3)cc2)C[C@H]1[NH+](C)C ZINC000901231707 1235424945 /nfs/dbraw/zinc/42/49/45/1235424945.db2.gz WRDCIYPATBQOQE-CVEARBPZSA-N 1 3 346.500 2.408 10 0 EEAEHO c1csc(CN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]2CCCO2)c1 ZINC000903718515 1241709337 /nfs/dbraw/zinc/70/93/37/1241709337.db2.gz NZNVOANIRXKWKX-LZLYRXPVSA-N 1 3 336.501 2.498 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN(C)Cc2ccc3cc[nH]c3c2)cnn1C ZINC000903937192 1242581257 /nfs/dbraw/zinc/58/12/57/1242581257.db2.gz DRRNYFRAIVKEEV-MRXNPFEDSA-N 1 3 325.460 2.459 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NC[C@@H](C)[NH+]2CCCCC2)cc(Cl)n1 ZINC000827474393 1248159280 /nfs/dbraw/zinc/15/92/80/1248159280.db2.gz YFKUHIRUNCKIDO-UKRRQHHQSA-N 1 3 338.883 2.424 10 0 EEAEHO CN(CCC[NH2+]CC1CCC(F)(F)CC1)C(=O)CN1CCCC1 ZINC001276386875 1255742929 /nfs/dbraw/zinc/74/29/29/1255742929.db2.gz QFAQVIWWOBMSRR-UHFFFAOYSA-N 1 3 331.451 2.346 10 0 EEAEHO COc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001491025960 1258584527 /nfs/dbraw/zinc/58/45/27/1258584527.db2.gz QYCMNGUVJGNPJK-BHYGNILZSA-N 1 3 345.487 2.477 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@@H](CC[NH2+]CCF)C2)C1 ZINC001267892915 1276782669 /nfs/dbraw/zinc/78/26/69/1276782669.db2.gz IOZFDRNFMUXXSH-MAUKXSAKSA-N 1 3 345.478 2.387 10 0 EEAEHO C[C@H](CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[NH+]1CCCCC1 ZINC000850760250 1277331970 /nfs/dbraw/zinc/33/19/70/1277331970.db2.gz XGBRRFVUTMNOLJ-QAPCUYQASA-N 1 3 346.475 2.343 10 0 EEAEHO COc1ccc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)cc1C ZINC001489286543 1290490938 /nfs/dbraw/zinc/49/09/38/1290490938.db2.gz KPDWMRCMDPXFSS-AEFFLSMTSA-N 1 3 347.503 2.424 10 0 EEAEHO COc1cccc(C[N@H+](CCCNC(=O)[C@@H]2CCCN2C)C2CC2)c1 ZINC001490367118 1291248210 /nfs/dbraw/zinc/24/82/10/1291248210.db2.gz MNCNDRNGNXQUAB-IBGZPJMESA-N 1 3 345.487 2.260 10 0 EEAEHO COc1cccc(C[N@@H+](CCCNC(=O)[C@@H]2CCCN2C)C2CC2)c1 ZINC001490367118 1291248211 /nfs/dbraw/zinc/24/82/11/1291248211.db2.gz MNCNDRNGNXQUAB-IBGZPJMESA-N 1 3 345.487 2.260 10 0 EEAEHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC12CC(C1)CN2 ZINC000853246127 1292339982 /nfs/dbraw/zinc/33/99/82/1292339982.db2.gz HBMCGJGQPCNJKQ-ZUIJCZDSSA-N 1 3 341.455 2.183 10 0 EEAEHO CC[N@@H+]1CC[C@@H](NCCOCCN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000858500307 1294135160 /nfs/dbraw/zinc/13/51/60/1294135160.db2.gz AFRDFFODTHGXSG-JKSUJKDBSA-N 1 3 343.512 2.190 10 0 EEAEHO CC[N@H+]1CC[C@@H](NCCOCCN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000858500307 1294135166 /nfs/dbraw/zinc/13/51/66/1294135166.db2.gz AFRDFFODTHGXSG-JKSUJKDBSA-N 1 3 343.512 2.190 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CCc3cccs3)C2)C1 ZINC001277046363 1301008228 /nfs/dbraw/zinc/00/82/28/1301008228.db2.gz PEUQEJWHGVIKBC-BZUAXINKSA-N 1 3 335.517 2.117 10 0 EEAEHO CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@H](C[NH2+]CCCF)C1CC1 ZINC001277696386 1304205739 /nfs/dbraw/zinc/20/57/39/1304205739.db2.gz WVHBCBKGFWSTNH-QAPCUYQASA-N 1 3 345.478 2.385 10 0 EEAEHO CCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C(F)(F)F ZINC001264039432 1322596119 /nfs/dbraw/zinc/59/61/19/1322596119.db2.gz VHZMMMCXDCHNHY-KBPBESRZSA-N 1 3 349.441 2.497 10 0 EEAEHO CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001264675403 1322778014 /nfs/dbraw/zinc/77/80/14/1322778014.db2.gz DBZXVEHUKIZXQW-QZTJIDSGSA-N 1 3 339.524 2.257 10 0 EEAEHO COCCCCC[N@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001266103466 1323667693 /nfs/dbraw/zinc/66/76/93/1323667693.db2.gz RDDVIQUWGSTHGQ-KRWDZBQOSA-N 1 3 339.524 2.210 10 0 EEAEHO COCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001266103466 1323667701 /nfs/dbraw/zinc/66/77/01/1323667701.db2.gz RDDVIQUWGSTHGQ-KRWDZBQOSA-N 1 3 339.524 2.210 10 0 EEAEHO CCCCCCN1CCOC2(CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001281782741 1325453793 /nfs/dbraw/zinc/45/37/93/1325453793.db2.gz RGDWIDSQWHRPCI-UHFFFAOYSA-N 1 3 339.524 2.212 10 0 EEAEHO CC(C)=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CCO1 ZINC001282914808 1325833163 /nfs/dbraw/zinc/83/31/63/1325833163.db2.gz LNZOJHSVIFLFKL-IRXDYDNUSA-N 1 3 337.508 2.033 10 0 EEAEHO COCc1cccc(CN2CC=C(CNC(=O)CC[NH+](C)C)CC2)c1 ZINC001284960118 1326797052 /nfs/dbraw/zinc/79/70/52/1326797052.db2.gz QHDDYVQVOHAPPE-UHFFFAOYSA-N 1 3 345.487 2.033 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1ccccc1Cl ZINC001491581088 1330172521 /nfs/dbraw/zinc/17/25/21/1330172521.db2.gz ZKNXHTZHOCQFTQ-LSDHHAIUSA-N 1 3 337.895 2.319 10 0 EEAEHO O=C(NCCC[C@@H]1CCCN1Cc1cncs1)C12CC[NH+](CC1)C2 ZINC001492176043 1331054959 /nfs/dbraw/zinc/05/49/59/1331054959.db2.gz QHKOVTURNSOLII-OAHLLOKOSA-N 1 3 348.516 2.100 10 0 EEAEHO CC(C)OCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001316880487 1331947494 /nfs/dbraw/zinc/94/74/94/1331947494.db2.gz PNIBWRYTLQQGEB-SJORKVTESA-N 1 3 327.513 2.111 10 0 EEAEHO CCN(CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1cccnc1C ZINC001316893231 1331959706 /nfs/dbraw/zinc/95/97/06/1331959706.db2.gz NVPYYGPHNWBCBC-LJQANCHMSA-N 1 3 344.503 2.060 10 0 EEAEHO CN(CC[NH2+]CCCc1ccccc1Cl)C(=O)CN1CCCC1 ZINC001317660567 1332355972 /nfs/dbraw/zinc/35/59/72/1332355972.db2.gz DULNUHMJKTWKBN-UHFFFAOYSA-N 1 3 337.895 2.416 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1sc(C)nc1C)N(C)C ZINC001320463045 1332889406 /nfs/dbraw/zinc/88/94/06/1332889406.db2.gz DGKZKRQPLUHGER-SMDDNHRTSA-N 1 3 326.510 2.085 10 0 EEAEHO COc1cccc([C@H](C)NC/C=C\CNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001321335504 1333076935 /nfs/dbraw/zinc/07/69/35/1333076935.db2.gz HKXUGJQMHFSMNP-PPPANMTLSA-N 1 3 345.487 2.360 10 0 EEAEHO COc1cccc([C@H](C)NC/C=C\CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001321335504 1333076939 /nfs/dbraw/zinc/07/69/39/1333076939.db2.gz HKXUGJQMHFSMNP-PPPANMTLSA-N 1 3 345.487 2.360 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]CCCc1cccc(F)c1 ZINC001322060083 1333203457 /nfs/dbraw/zinc/20/34/57/1333203457.db2.gz OCFJKKSMLAZCKG-ZDUSSCGKSA-N 1 3 332.423 2.127 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@@H](CC[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC001326366192 1334077482 /nfs/dbraw/zinc/07/74/82/1334077482.db2.gz ZRXFKVVCYDLSNH-FUHWJXTLSA-N 1 3 347.478 2.496 10 0 EEAEHO Cc1ncoc1CNCC[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001326435966 1334093230 /nfs/dbraw/zinc/09/32/30/1334093230.db2.gz ADJFSSXFPROOST-KRWDZBQOSA-N 1 3 348.491 2.187 10 0 EEAEHO Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCCN2C)sc1C ZINC001330883009 1334920783 /nfs/dbraw/zinc/92/07/83/1334920783.db2.gz LOXUEDHGVGCYTJ-SWLSCSKDSA-N 1 3 338.521 2.229 10 0 EEAEHO CC(C)CCOCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001331000532 1334944321 /nfs/dbraw/zinc/94/43/21/1334944321.db2.gz DVWKFBLFEMPWBB-SFHVURJKSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)CCOCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001331000532 1334944325 /nfs/dbraw/zinc/94/43/25/1334944325.db2.gz DVWKFBLFEMPWBB-SFHVURJKSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1nn(C(C)C)cc1C[NH2+]CC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001668214725 1355901130 /nfs/dbraw/zinc/90/11/30/1355901130.db2.gz NXIXMJRLYRFVBV-JKSUJKDBSA-N 1 3 349.523 2.099 10 0 EEAEHO CN(CC(=O)NC[C@H]1C[N@H+](CC2CCC2)CCC1(F)F)C1CCC1 ZINC001500611302 1342186595 /nfs/dbraw/zinc/18/65/95/1342186595.db2.gz QCTFZDGODUWFAQ-HNNXBMFYSA-N 1 3 343.462 2.344 10 0 EEAEHO CN(CC(=O)NC[C@H]1C[N@@H+](CC2CCC2)CCC1(F)F)C1CCC1 ZINC001500611302 1342186600 /nfs/dbraw/zinc/18/66/00/1342186600.db2.gz QCTFZDGODUWFAQ-HNNXBMFYSA-N 1 3 343.462 2.344 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001673923683 1356760975 /nfs/dbraw/zinc/76/09/75/1356760975.db2.gz NKWMWKTVOWYCST-MJGOQNOKSA-N 1 3 331.504 2.398 10 0 EEAEHO COCCCN1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001566628667 1342585189 /nfs/dbraw/zinc/58/51/89/1342585189.db2.gz BZMVCVYTRCOWPM-IBGZPJMESA-N 1 3 347.503 2.021 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CCOCC2CCC2)CC1 ZINC001566991090 1342674408 /nfs/dbraw/zinc/67/44/08/1342674408.db2.gz HYVBECSCMVZJDP-UHFFFAOYSA-N 1 3 348.491 2.094 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CCOC1CCCCCC1 ZINC001569557089 1342896537 /nfs/dbraw/zinc/89/65/37/1342896537.db2.gz OTEVYEJKAMWYGT-KRWDZBQOSA-N 1 3 348.491 2.272 10 0 EEAEHO COCCCCC[N@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001676051887 1357097025 /nfs/dbraw/zinc/09/70/25/1357097025.db2.gz BTOLMYJTUZOUKX-UHFFFAOYSA-N 1 3 339.524 2.210 10 0 EEAEHO COCCCCC[N@@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001676051887 1357097028 /nfs/dbraw/zinc/09/70/28/1357097028.db2.gz BTOLMYJTUZOUKX-UHFFFAOYSA-N 1 3 339.524 2.210 10 0 EEAEHO CC[C@H](C(=O)N1CCC(CC)([NH2+]CCOC2CCC2)CC1)N(C)C ZINC001570256777 1343043559 /nfs/dbraw/zinc/04/35/59/1343043559.db2.gz UELUDGFSMSKIQH-QGZVFWFLSA-N 1 3 339.524 2.257 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(F)(F)CC[C@@H]1C ZINC001650542238 1353982119 /nfs/dbraw/zinc/98/21/19/1353982119.db2.gz GUMUYLQXMKYJND-KBPBESRZSA-N 1 3 334.455 2.088 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(F)(F)CC[C@@H]1C ZINC001650542238 1353982120 /nfs/dbraw/zinc/98/21/20/1353982120.db2.gz GUMUYLQXMKYJND-KBPBESRZSA-N 1 3 334.455 2.088 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@H+](C)C[C@H]1CCCOC1 ZINC001660322997 1354440074 /nfs/dbraw/zinc/44/00/74/1354440074.db2.gz YZMLOXLUYVIVTH-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)C[C@H]1CCCOC1 ZINC001660322997 1354440075 /nfs/dbraw/zinc/44/00/75/1354440075.db2.gz YZMLOXLUYVIVTH-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001666993016 1355629600 /nfs/dbraw/zinc/62/96/00/1355629600.db2.gz XWCHVCRQJUGURC-ZWKOTPCHSA-N 1 3 331.504 2.316 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]Cc2ccccc2N(C)C)C1 ZINC001670245769 1356302657 /nfs/dbraw/zinc/30/26/57/1356302657.db2.gz CWAMJMATEHPBRQ-QGZVFWFLSA-N 1 3 346.519 2.033 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)CN(C)C(C)C)s1 ZINC001670357291 1356325845 /nfs/dbraw/zinc/32/58/45/1356325845.db2.gz AHGAEQNXXHINBT-UHFFFAOYSA-N 1 3 326.510 2.038 10 0 EEAEHO C[C@]1(C[NH2+]CCc2ccccc2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001671790466 1356415197 /nfs/dbraw/zinc/41/51/97/1356415197.db2.gz RUGXPSOMSPDZBE-LJQANCHMSA-N 1 3 326.444 2.023 10 0 EEAEHO CC(C)OCC[NH2+][C@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1 ZINC001692121489 1404984699 /nfs/dbraw/zinc/98/46/99/1404984699.db2.gz UBLXPFMTKWDHMK-KRWDZBQOSA-N 1 3 339.524 2.257 10 0 EEAEHO C[NH+]1CCC(CC(=O)NC/C=C/CNCc2cccc(F)c2)CC1 ZINC001699316054 1405331966 /nfs/dbraw/zinc/33/19/66/1405331966.db2.gz WLMUCNXEYKVXMW-NSCUHMNNSA-N 1 3 333.451 2.320 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC[C@H]1CCCCO1 ZINC001699553676 1405393057 /nfs/dbraw/zinc/39/30/57/1405393057.db2.gz FNXGQOOVZNPCNG-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]CC[C@H]1CCCC1(F)F ZINC001699765568 1405473891 /nfs/dbraw/zinc/47/38/91/1405473891.db2.gz IHMYTNAJHROYFX-CVEARBPZSA-N 1 3 343.462 2.488 10 0 EEAEHO COc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1F ZINC000822666089 787322637 /nfs/dbraw/zinc/32/26/37/787322637.db2.gz CFUOHBDHNHYKAY-ZDUSSCGKSA-N 1 3 340.443 2.228 10 0 EEAEHO COc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1F ZINC000822666089 787322645 /nfs/dbraw/zinc/32/26/45/787322645.db2.gz CFUOHBDHNHYKAY-ZDUSSCGKSA-N 1 3 340.443 2.228 10 0 EEAEHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1ccc3c(c1)OC(F)(F)O3)CC2 ZINC000923441438 789567882 /nfs/dbraw/zinc/56/78/82/789567882.db2.gz LEHZRMYHDHXIGU-ZDUSSCGKSA-N 1 3 340.370 2.338 10 0 EEAEHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](NCc2sccc2Cl)C2CC2)C1 ZINC001436824311 1088426252 /nfs/dbraw/zinc/42/62/52/1088426252.db2.gz CSUOGEMIIMEMFO-OCCSQVGLSA-N 1 3 341.908 2.338 10 0 EEAEHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](NCc2sccc2Cl)C2CC2)C1 ZINC001436824311 1088426257 /nfs/dbraw/zinc/42/62/57/1088426257.db2.gz CSUOGEMIIMEMFO-OCCSQVGLSA-N 1 3 341.908 2.338 10 0 EEAEHO Cc1cc(CNC[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)sn1 ZINC001445470960 1091244160 /nfs/dbraw/zinc/24/41/60/1091244160.db2.gz SUEXCHXKLCSYND-CQSZACIVSA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1cncc(CNC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC001445557002 1091328902 /nfs/dbraw/zinc/32/89/02/1091328902.db2.gz IGHYKOXFRZQVSH-LPHOPBHVSA-N 1 3 344.503 2.391 10 0 EEAEHO Cc1cncc(CNC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC001445557002 1091328911 /nfs/dbraw/zinc/32/89/11/1091328911.db2.gz IGHYKOXFRZQVSH-LPHOPBHVSA-N 1 3 344.503 2.391 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)[C@H](C)C1 ZINC001438764496 1091338299 /nfs/dbraw/zinc/33/82/99/1091338299.db2.gz FCNLJWPQIJJRPX-CRAIPNDOSA-N 1 3 335.467 2.493 10 0 EEAEHO CC(C)[C@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]CC1CCOCC1 ZINC001438800068 1091405898 /nfs/dbraw/zinc/40/58/98/1091405898.db2.gz GCHSRBJQKPHPJH-ROUUACIJSA-N 1 3 339.524 2.016 10 0 EEAEHO CC(C)[C@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]CC1CCOCC1 ZINC001438800072 1091406077 /nfs/dbraw/zinc/40/60/77/1091406077.db2.gz GCHSRBJQKPHPJH-ZWKOTPCHSA-N 1 3 339.524 2.016 10 0 EEAEHO CC(C)OCC[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001446328570 1092529066 /nfs/dbraw/zinc/52/90/66/1092529066.db2.gz KBMCHAMTLAJYLG-UHFFFAOYSA-N 1 3 339.524 2.066 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NCC2(NCc3ccc(CF)cc3)CC2)C1 ZINC001439662123 1092598252 /nfs/dbraw/zinc/59/82/52/1092598252.db2.gz RIATWFSQUXFZMW-QGZVFWFLSA-N 1 3 333.451 2.236 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NCC2(NCc3ccc(CF)cc3)CC2)C1 ZINC001439662123 1092598258 /nfs/dbraw/zinc/59/82/58/1092598258.db2.gz RIATWFSQUXFZMW-QGZVFWFLSA-N 1 3 333.451 2.236 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCc1c(C)nsc1C ZINC001439783697 1092740074 /nfs/dbraw/zinc/74/00/74/1092740074.db2.gz LYZUQQOXOLPRRZ-HNNXBMFYSA-N 1 3 338.521 2.182 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCc1c(C)nsc1C ZINC001439783697 1092740076 /nfs/dbraw/zinc/74/00/76/1092740076.db2.gz LYZUQQOXOLPRRZ-HNNXBMFYSA-N 1 3 338.521 2.182 10 0 EEAEHO CCCN(C)CC(=O)N1CC2(C1)CC[NH+](Cc1ncccc1C)CC2 ZINC001440240354 1093327184 /nfs/dbraw/zinc/32/71/84/1093327184.db2.gz NUSMBWYABUQBNP-UHFFFAOYSA-N 1 3 344.503 2.156 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1scnc1C ZINC001448787320 1093866312 /nfs/dbraw/zinc/86/63/12/1093866312.db2.gz ZSAWJNLFRCXCAZ-HIFRSBDPSA-N 1 3 338.521 2.262 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1cnccc1C)C1CC1 ZINC001441201183 1094561609 /nfs/dbraw/zinc/56/16/09/1094561609.db2.gz LRBFXGCJGQPLRU-RBUKOAKNSA-N 1 3 344.503 2.249 10 0 EEAEHO Cc1oncc1CNC[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001441365947 1094891278 /nfs/dbraw/zinc/89/12/78/1094891278.db2.gz OGJWVHDGDYZBTI-SAABIXHNSA-N 1 3 348.491 2.234 10 0 EEAEHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCc1cccc(F)c1 ZINC001441871729 1095986368 /nfs/dbraw/zinc/98/63/68/1095986368.db2.gz SYSJAOFBWVVGNU-HNNXBMFYSA-N 1 3 333.451 2.296 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001441955840 1096156957 /nfs/dbraw/zinc/15/69/57/1096156957.db2.gz WQOYEDHRYXXDDO-CABCVRRESA-N 1 3 328.460 2.104 10 0 EEAEHO Cc1cccnc1CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001442141292 1096389507 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EEAEHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C)c(OC)c2)C1)N(C)C ZINC001442862864 1097256738 /nfs/dbraw/zinc/25/67/38/1097256738.db2.gz KPESNNQIQHUJNZ-QZTJIDSGSA-N 1 3 347.503 2.282 10 0 EEAEHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C)c(OC)c2)C1)N(C)C ZINC001442862864 1097256742 /nfs/dbraw/zinc/25/67/42/1097256742.db2.gz KPESNNQIQHUJNZ-QZTJIDSGSA-N 1 3 347.503 2.282 10 0 EEAEHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](CC2CC(F)(F)C2)[C@@H]1C ZINC001479707688 1098784281 /nfs/dbraw/zinc/78/42/81/1098784281.db2.gz GGQUNKSUBWUWOE-YUELXQCFSA-N 1 3 349.441 2.291 10 0 EEAEHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1CC[N@@H+](CC2CC(F)(F)C2)[C@@H]1C ZINC001479707688 1098784289 /nfs/dbraw/zinc/78/42/89/1098784289.db2.gz GGQUNKSUBWUWOE-YUELXQCFSA-N 1 3 349.441 2.291 10 0 EEAEHO CCOCCN1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001479715430 1098795760 /nfs/dbraw/zinc/79/57/60/1098795760.db2.gz YIRGDOGIXVCAGI-AEFFLSMTSA-N 1 3 339.524 2.257 10 0 EEAEHO CCOCCN1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001479715430 1098795777 /nfs/dbraw/zinc/79/57/77/1098795777.db2.gz YIRGDOGIXVCAGI-AEFFLSMTSA-N 1 3 339.524 2.257 10 0 EEAEHO CCN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1cnccc1C ZINC001479859501 1099166919 /nfs/dbraw/zinc/16/69/19/1099166919.db2.gz HHEBAEDDSJFBFD-KRWDZBQOSA-N 1 3 332.492 2.060 10 0 EEAEHO CCN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1cnccc1C ZINC001479859501 1099166923 /nfs/dbraw/zinc/16/69/23/1099166923.db2.gz HHEBAEDDSJFBFD-KRWDZBQOSA-N 1 3 332.492 2.060 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCCN(Cc2ocnc2C)C1 ZINC001480386034 1100184799 /nfs/dbraw/zinc/18/47/99/1100184799.db2.gz JHAOQQGZFFLMDM-ZBFHGGJFSA-N 1 3 336.480 2.042 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H]1CCCN(Cc2ocnc2C)C1 ZINC001480386034 1100184803 /nfs/dbraw/zinc/18/48/03/1100184803.db2.gz JHAOQQGZFFLMDM-ZBFHGGJFSA-N 1 3 336.480 2.042 10 0 EEAEHO O=C(N[C@@H]1CCC[C@@H]1CNC/C(Cl)=C\Cl)C12CC[NH+](CC1)C2 ZINC001445100277 1100330536 /nfs/dbraw/zinc/33/05/36/1100330536.db2.gz AOFPCDVYPQYTOX-ZMCCTTKHSA-N 1 3 346.302 2.276 10 0 EEAEHO CN(CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cncs1)C1CCC1 ZINC001445104189 1100336084 /nfs/dbraw/zinc/33/60/84/1100336084.db2.gz CRUVTVLWTKJZGC-CJNGLKHVSA-N 1 3 336.505 2.002 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1CNCc1nc(C)oc1C ZINC001445105771 1100341510 /nfs/dbraw/zinc/34/15/10/1100341510.db2.gz HMVZCXWYXNOXGO-CVEARBPZSA-N 1 3 336.480 2.008 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1CNCc1nc(C)oc1C ZINC001445105771 1100341525 /nfs/dbraw/zinc/34/15/25/1100341525.db2.gz HMVZCXWYXNOXGO-CVEARBPZSA-N 1 3 336.480 2.008 10 0 EEAEHO Cc1cnc([C@H](C)[NH2+]CC[C@H](C)NC(=O)CN(C)CC(C)(C)C)cn1 ZINC001445317042 1100551416 /nfs/dbraw/zinc/55/14/16/1100551416.db2.gz OHIAHCMPZKCQOK-HOCLYGCPSA-N 1 3 349.523 2.308 10 0 EEAEHO Cc1ncc(CNC[C@@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)s1 ZINC001496481073 1101071632 /nfs/dbraw/zinc/07/16/32/1101071632.db2.gz NDMITCVNWLYJGA-CZUORRHYSA-N 1 3 338.521 2.120 10 0 EEAEHO CC(C)[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]C[C@H]1CCOC1 ZINC001496561374 1101162289 /nfs/dbraw/zinc/16/22/89/1101162289.db2.gz JVPQXTPCDJFLQU-SJORKVTESA-N 1 3 339.524 2.018 10 0 EEAEHO CN(CC[N@H+](C)CCc1ccccc1Cl)C(=O)CN1CCCC1 ZINC001496836115 1101566149 /nfs/dbraw/zinc/56/61/49/1101566149.db2.gz OWRNSEVYNVCCOF-UHFFFAOYSA-N 1 3 337.895 2.369 10 0 EEAEHO CN(CC[N@@H+](C)CCc1ccccc1Cl)C(=O)CN1CCCC1 ZINC001496836115 1101566169 /nfs/dbraw/zinc/56/61/69/1101566169.db2.gz OWRNSEVYNVCCOF-UHFFFAOYSA-N 1 3 337.895 2.369 10 0 EEAEHO CCc1cccc(OCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001496029545 1101953435 /nfs/dbraw/zinc/95/34/35/1101953435.db2.gz YNLNNMQYFHIRHE-LPHOPBHVSA-N 1 3 347.503 2.159 10 0 EEAEHO Cc1nsc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001496078107 1102018651 /nfs/dbraw/zinc/01/86/51/1102018651.db2.gz GTRQAYVRLBZYKQ-GFCCVEGCSA-N 1 3 338.521 2.181 10 0 EEAEHO Cc1nc(CNCC[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c(C)s1 ZINC001497272243 1102232203 /nfs/dbraw/zinc/23/22/03/1102232203.db2.gz QVCAOOAXMAVPCS-CHWSQXEVSA-N 1 3 338.521 2.086 10 0 EEAEHO Cc1nc(CNCC[C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)c(C)s1 ZINC001497272243 1102232209 /nfs/dbraw/zinc/23/22/09/1102232209.db2.gz QVCAOOAXMAVPCS-CHWSQXEVSA-N 1 3 338.521 2.086 10 0 EEAEHO CN(CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)Cc1ccccn1 ZINC001447338805 1102477875 /nfs/dbraw/zinc/47/78/75/1102477875.db2.gz CXPRWFAVHQTLIP-RTBURBONSA-N 1 3 344.503 2.379 10 0 EEAEHO CN(CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)Cc1ccccn1 ZINC001447338805 1102477883 /nfs/dbraw/zinc/47/78/83/1102477883.db2.gz CXPRWFAVHQTLIP-RTBURBONSA-N 1 3 344.503 2.379 10 0 EEAEHO CCCN1Cc2ccccc2C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001447429773 1102638429 /nfs/dbraw/zinc/63/84/29/1102638429.db2.gz KGBVYYAHJWKUEZ-APWZRJJASA-N 1 3 329.488 2.281 10 0 EEAEHO CCCN1Cc2ccccc2C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001447429773 1102638434 /nfs/dbraw/zinc/63/84/34/1102638434.db2.gz KGBVYYAHJWKUEZ-APWZRJJASA-N 1 3 329.488 2.281 10 0 EEAEHO Cc1ccc(F)c(CNC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001497927489 1103353219 /nfs/dbraw/zinc/35/32/19/1103353219.db2.gz VXWZPSXUAYPKIU-OAHLLOKOSA-N 1 3 335.467 2.460 10 0 EEAEHO C[C@@H](NCc1ccccn1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001447845557 1103433802 /nfs/dbraw/zinc/43/38/02/1103433802.db2.gz KFWIQXGHSUVOBL-CVEARBPZSA-N 1 3 332.492 2.329 10 0 EEAEHO Cc1nc(C)c(C[N@H+]2CCC[C@@H]2CCCNC(=O)[C@H]2CCCN2C)o1 ZINC001480826621 1107204953 /nfs/dbraw/zinc/20/49/53/1107204953.db2.gz MIIWXJFDHFBHCW-DLBZAZTESA-N 1 3 348.491 2.246 10 0 EEAEHO Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2CCCNC(=O)[C@H]2CCCN2C)o1 ZINC001480826621 1107204961 /nfs/dbraw/zinc/20/49/61/1107204961.db2.gz MIIWXJFDHFBHCW-DLBZAZTESA-N 1 3 348.491 2.246 10 0 EEAEHO CCN(CCNC(=O)C12CC[NH+](CC1)C2)[C@@H]1CCc2c1cccc2F ZINC001493043540 1107381413 /nfs/dbraw/zinc/38/14/13/1107381413.db2.gz QMYSAKZEZHGDAV-GOSISDBHSA-N 1 3 345.462 2.347 10 0 EEAEHO CO[C@@H](C)CN1CCC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001493123324 1107542046 /nfs/dbraw/zinc/54/20/46/1107542046.db2.gz YOHHPLSSFOPUHO-RDJZCZTQSA-N 1 3 339.524 2.255 10 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/nfs/dbraw/zinc/38/98/60/1112389860.db2.gz UIJMYIZXOKIEOK-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO COCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001500502460 1112894566 /nfs/dbraw/zinc/89/45/66/1112894566.db2.gz VNFRBZVTXWQHOC-SFHVURJKSA-N 1 3 339.524 2.116 10 0 EEAEHO COCCCC[N@H+]1CCC[C@@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001500502460 1112894569 /nfs/dbraw/zinc/89/45/69/1112894569.db2.gz VNFRBZVTXWQHOC-SFHVURJKSA-N 1 3 339.524 2.116 10 0 EEAEHO CCN1CCC(F)(F)[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001500617015 1112979461 /nfs/dbraw/zinc/97/94/61/1112979461.db2.gz OHLFXIFFJGIBPQ-HNNXBMFYSA-N 1 3 331.451 2.346 10 0 EEAEHO Cc1cc(CN[C@@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)sn1 ZINC001507088187 1115101949 /nfs/dbraw/zinc/10/19/49/1115101949.db2.gz ZXSWRGFIVIOOKQ-GJZGRUSLSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1cc(CN[C@@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)sn1 ZINC001507088187 1115101950 /nfs/dbraw/zinc/10/19/50/1115101950.db2.gz ZXSWRGFIVIOOKQ-GJZGRUSLSA-N 1 3 338.521 2.262 10 0 EEAEHO O=C(NCc1ccc(CNC/C=C/Cl)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001568118457 1124312641 /nfs/dbraw/zinc/31/26/41/1124312641.db2.gz TZURLUJRQHXVED-HNEMKHGLSA-N 1 3 347.890 2.487 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCCN(C)C2)CC1 ZINC000088687416 539370605 /nfs/dbraw/zinc/37/06/05/539370605.db2.gz IMDRBQDPOXORLG-IBGZPJMESA-N 1 3 330.520 2.402 10 0 EEAEHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cnccc1N ZINC000423035924 240337307 /nfs/dbraw/zinc/33/73/07/240337307.db2.gz SKGNGRBMJLCLSY-CRAIPNDOSA-N 1 3 340.471 2.302 10 0 EEAEHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cnccc1N ZINC000423035924 240337311 /nfs/dbraw/zinc/33/73/11/240337311.db2.gz SKGNGRBMJLCLSY-CRAIPNDOSA-N 1 3 340.471 2.302 10 0 EEAEHO CN([C@H](C[NH3+])c1ccccc1Br)C1CCN(C)CC1 ZINC000019511901 212035690 /nfs/dbraw/zinc/03/56/90/212035690.db2.gz ZMMLEXIMHBCNMO-OAHLLOKOSA-N 1 3 326.282 2.475 10 0 EEAEHO CCOC(=O)C1CCC(O)(CN(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000190916426 256003970 /nfs/dbraw/zinc/00/39/70/256003970.db2.gz ZIPLKVDJKAVMON-HFCFLWKCSA-N 1 3 340.508 2.277 10 0 EEAEHO CCOC(=O)C1CCC(O)(CN(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000190916426 256003973 /nfs/dbraw/zinc/00/39/73/256003973.db2.gz ZIPLKVDJKAVMON-HFCFLWKCSA-N 1 3 340.508 2.277 10 0 EEAEHO c1ccc(CN2CC[C@@H]([NH+]3CCC(CN4CCOCC4)CC3)C2)cc1 ZINC000271325879 256233324 /nfs/dbraw/zinc/23/33/24/256233324.db2.gz YHLHSAOWASSCNC-OAQYLSRUSA-N 1 3 343.515 2.305 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000119079786 292240888 /nfs/dbraw/zinc/24/08/88/292240888.db2.gz BSZXBKDYBKTWIJ-ZBFHGGJFSA-N 1 3 339.430 2.020 10 0 EEAEHO CCC[C@](C)(N)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262666733 152304297 /nfs/dbraw/zinc/30/42/97/152304297.db2.gz KRDCEDLAMDMZIZ-QUCCMNQESA-N 1 3 347.503 2.066 10 0 EEAEHO Cn1ncc(Cl)c1CNCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000131858145 292394136 /nfs/dbraw/zinc/39/41/36/292394136.db2.gz MDUUTEWWFKQGOP-UHFFFAOYSA-N 1 3 339.915 2.113 10 0 EEAEHO Cn1ncc(Cl)c1CNCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000131858145 292394137 /nfs/dbraw/zinc/39/41/37/292394137.db2.gz MDUUTEWWFKQGOP-UHFFFAOYSA-N 1 3 339.915 2.113 10 0 EEAEHO C[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)N1CCC(C)CC1 ZINC000073897920 159057841 /nfs/dbraw/zinc/05/78/41/159057841.db2.gz MXWGQXZUHPOOBA-OOKSDGMUSA-N 1 3 336.524 2.421 10 0 EEAEHO C[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)N1CCC(C)CC1 ZINC000073897920 159057844 /nfs/dbraw/zinc/05/78/44/159057844.db2.gz MXWGQXZUHPOOBA-OOKSDGMUSA-N 1 3 336.524 2.421 10 0 EEAEHO CCCO[C@@H]1CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000108395075 159340434 /nfs/dbraw/zinc/34/04/34/159340434.db2.gz KYDUUFJYCFGADL-GOSISDBHSA-N 1 3 337.508 2.011 10 0 EEAEHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193570724 160183988 /nfs/dbraw/zinc/18/39/88/160183988.db2.gz BUEDIJJVJMPUEX-KRWDZBQOSA-N 1 3 336.524 2.378 10 0 EEAEHO CCN(C)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246464336 160280491 /nfs/dbraw/zinc/28/04/91/160280491.db2.gz JVKCCFGSOLQCNN-WMZOPIPTSA-N 1 3 332.492 2.290 10 0 EEAEHO CCN(C)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246464336 160280492 /nfs/dbraw/zinc/28/04/92/160280492.db2.gz JVKCCFGSOLQCNN-WMZOPIPTSA-N 1 3 332.492 2.290 10 0 EEAEHO CC[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246464336 160280494 /nfs/dbraw/zinc/28/04/94/160280494.db2.gz JVKCCFGSOLQCNN-WMZOPIPTSA-N 1 3 332.492 2.290 10 0 EEAEHO CC[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246464336 160280495 /nfs/dbraw/zinc/28/04/95/160280495.db2.gz JVKCCFGSOLQCNN-WMZOPIPTSA-N 1 3 332.492 2.290 10 0 EEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000247479817 160325683 /nfs/dbraw/zinc/32/56/83/160325683.db2.gz VZOUQXSKXAHNEH-BPQIPLTHSA-N 1 3 332.492 2.317 10 0 EEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000247479817 160325685 /nfs/dbraw/zinc/32/56/85/160325685.db2.gz VZOUQXSKXAHNEH-BPQIPLTHSA-N 1 3 332.492 2.317 10 0 EEAEHO CSC1(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CCN(C)CC1 ZINC000359276299 164101099 /nfs/dbraw/zinc/10/10/99/164101099.db2.gz OUHHBUQEBCFQSZ-HNNXBMFYSA-N 1 3 327.538 2.195 10 0 EEAEHO CSC1(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)CCN(C)CC1 ZINC000359276299 164101101 /nfs/dbraw/zinc/10/11/01/164101101.db2.gz OUHHBUQEBCFQSZ-HNNXBMFYSA-N 1 3 327.538 2.195 10 0 EEAEHO CC[NH2+]Cc1cccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000364213868 165054066 /nfs/dbraw/zinc/05/40/66/165054066.db2.gz RIASYFAEDMEHEG-JTDSTZFVSA-N 1 3 331.460 2.267 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)N2CCN3CCC2CC3)[NH+](C)C)cc1 ZINC000376800836 167396400 /nfs/dbraw/zinc/39/64/00/167396400.db2.gz CSLGTNIBWHNVPF-IBGZPJMESA-N 1 3 344.503 2.341 10 0 EEAEHO CC(=O)NCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248410536 278102816 /nfs/dbraw/zinc/10/28/16/278102816.db2.gz YBQVNPKKVURKGR-XUVXKRRUSA-N 1 3 329.488 2.403 10 0 EEAEHO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000348870936 279034381 /nfs/dbraw/zinc/03/43/81/279034381.db2.gz GMWJUOPUVYZZHP-KRWDZBQOSA-N 1 3 329.488 2.235 10 0 EEAEHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000348870936 279034382 /nfs/dbraw/zinc/03/43/82/279034382.db2.gz GMWJUOPUVYZZHP-KRWDZBQOSA-N 1 3 329.488 2.235 10 0 EEAEHO CC1=C[C@@H](C)C[C@H](C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414476949 313031759 /nfs/dbraw/zinc/03/17/59/313031759.db2.gz AQFDNSLAQGYALH-MJGOQNOKSA-N 1 3 335.536 2.365 10 0 EEAEHO CN(C)Cc1c2ccccc2oc1C(=O)NCCNc1cc[nH+]cc1 ZINC000439042153 315065004 /nfs/dbraw/zinc/06/50/04/315065004.db2.gz SVUAGFIFUQBUMM-UHFFFAOYSA-N 1 3 338.411 2.153 10 0 EEAEHO CN(CCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccncc1 ZINC000541856634 318112491 /nfs/dbraw/zinc/11/24/91/318112491.db2.gz ZFYXEJAJVGVIOF-LPHOPBHVSA-N 1 3 342.487 2.383 10 0 EEAEHO CN(CCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccncc1 ZINC000541856634 318112493 /nfs/dbraw/zinc/11/24/93/318112493.db2.gz ZFYXEJAJVGVIOF-LPHOPBHVSA-N 1 3 342.487 2.383 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCN(C)c2ccncc2)C1 ZINC000542787525 318140437 /nfs/dbraw/zinc/14/04/37/318140437.db2.gz GHBDVSAMFBFNMI-CALCHBBNSA-N 1 3 332.492 2.392 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCN(C)c2ccncc2)C1 ZINC000542787525 318140440 /nfs/dbraw/zinc/14/04/40/318140440.db2.gz GHBDVSAMFBFNMI-CALCHBBNSA-N 1 3 332.492 2.392 10 0 EEAEHO CCc1ncc(CNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)o1 ZINC000575429360 320105630 /nfs/dbraw/zinc/10/56/30/320105630.db2.gz PZQJETUWTIKNGO-UHFFFAOYSA-N 1 3 348.491 2.050 10 0 EEAEHO Cn1ccnc1[C@@H](NCC1(N2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000127702936 462575692 /nfs/dbraw/zinc/57/56/92/462575692.db2.gz KVCKUVXOGFXAHP-SFHVURJKSA-N 1 3 345.535 2.411 10 0 EEAEHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000129510764 462710534 /nfs/dbraw/zinc/71/05/34/462710534.db2.gz RVLZYYNPUGYZEO-ZAWLATJESA-N 1 3 348.535 2.373 10 0 EEAEHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000129510764 462710536 /nfs/dbraw/zinc/71/05/36/462710536.db2.gz RVLZYYNPUGYZEO-ZAWLATJESA-N 1 3 348.535 2.373 10 0 EEAEHO CCOC(=O)CCCCCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000117881259 462815772 /nfs/dbraw/zinc/81/57/72/462815772.db2.gz NQMKCTDAHLCVHU-GOSISDBHSA-N 1 3 339.524 2.212 10 0 EEAEHO CCOC(=O)CCCCCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000117881259 462815775 /nfs/dbraw/zinc/81/57/75/462815775.db2.gz NQMKCTDAHLCVHU-GOSISDBHSA-N 1 3 339.524 2.212 10 0 EEAEHO CN1CC[C@H](NC(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@H]1c1ccccc1 ZINC000579333088 468343858 /nfs/dbraw/zinc/34/38/58/468343858.db2.gz OFBAPQYJFMCPNH-SCTDSRPQSA-N 1 3 330.476 2.121 10 0 EEAEHO CCOC(=O)CC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105915694 463497396 /nfs/dbraw/zinc/49/73/96/463497396.db2.gz PEJQBJYDXUDHRD-IBGZPJMESA-N 1 3 348.487 2.317 10 0 EEAEHO CCOC(=O)CC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105915694 463497397 /nfs/dbraw/zinc/49/73/97/463497397.db2.gz PEJQBJYDXUDHRD-IBGZPJMESA-N 1 3 348.487 2.317 10 0 EEAEHO C[C@H](CC(=O)N[C@@H](Cc1ccccc1)CN(C)C)C1CC[NH2+]CC1 ZINC000237399279 464313795 /nfs/dbraw/zinc/31/37/95/464313795.db2.gz ITWJQJYUWDVEIM-APWZRJJASA-N 1 3 331.504 2.301 10 0 EEAEHO COc1cc2c(cc1F)CC[C@H]2[NH2+]C1CCN(CCN(C)C)CC1 ZINC000281318627 464412169 /nfs/dbraw/zinc/41/21/69/464412169.db2.gz SIYYMDHJXWYDTM-GOSISDBHSA-N 1 3 335.467 2.437 10 0 EEAEHO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000245835132 464516890 /nfs/dbraw/zinc/51/68/90/464516890.db2.gz CJIBJEFCHDPYNY-PKOBYXMFSA-N 1 3 342.487 2.163 10 0 EEAEHO CN1CCN(C)[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000272384251 464587865 /nfs/dbraw/zinc/58/78/65/464587865.db2.gz FTLBBOSXKROZDM-PLACYPQZSA-N 1 3 342.531 2.017 10 0 EEAEHO CN1CCN(C)[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000272384251 464587867 /nfs/dbraw/zinc/58/78/67/464587867.db2.gz FTLBBOSXKROZDM-PLACYPQZSA-N 1 3 342.531 2.017 10 0 EEAEHO CN1CCN(C)[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000272384251 464587869 /nfs/dbraw/zinc/58/78/69/464587869.db2.gz FTLBBOSXKROZDM-PLACYPQZSA-N 1 3 342.531 2.017 10 0 EEAEHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000175772295 464620781 /nfs/dbraw/zinc/62/07/81/464620781.db2.gz CBYDPVWRHGLJGP-SFHVURJKSA-N 1 3 336.524 2.234 10 0 EEAEHO C[C@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCO1 ZINC000183090213 464794740 /nfs/dbraw/zinc/79/47/40/464794740.db2.gz GIVBWRNVLSVDSS-LPHOPBHVSA-N 1 3 345.487 2.056 10 0 EEAEHO CCOC(=O)c1csc(CCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000191566924 464820934 /nfs/dbraw/zinc/82/09/34/464820934.db2.gz FLHILKUUVGRRAK-YNEHKIRRSA-N 1 3 325.478 2.181 10 0 EEAEHO CCOC(=O)c1csc(CCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000191566924 464820940 /nfs/dbraw/zinc/82/09/40/464820940.db2.gz FLHILKUUVGRRAK-YNEHKIRRSA-N 1 3 325.478 2.181 10 0 EEAEHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000299112215 465607150 /nfs/dbraw/zinc/60/71/50/465607150.db2.gz QTLNPDIXHDIIRL-RBUKOAKNSA-N 1 3 346.519 2.190 10 0 EEAEHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000299112215 465607161 /nfs/dbraw/zinc/60/71/61/465607161.db2.gz QTLNPDIXHDIIRL-RBUKOAKNSA-N 1 3 346.519 2.190 10 0 EEAEHO CN1CC[C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)[C@H]2CCC[C@H]21 ZINC000353432754 465877803 /nfs/dbraw/zinc/87/78/03/465877803.db2.gz CKSNGTUJIVAVSP-QHAWAJNXSA-N 1 3 343.515 2.481 10 0 EEAEHO C[N@@H+]1CC[C@H](NCc2ccc(CN3CCOCC3)cc2)[C@H]2CCC[C@H]21 ZINC000353432754 465877809 /nfs/dbraw/zinc/87/78/09/465877809.db2.gz CKSNGTUJIVAVSP-QHAWAJNXSA-N 1 3 343.515 2.481 10 0 EEAEHO C[N@H+]1CC[C@H](NCc2ccc(CN3CCOCC3)cc2)[C@H]2CCC[C@H]21 ZINC000353432754 465877818 /nfs/dbraw/zinc/87/78/18/465877818.db2.gz CKSNGTUJIVAVSP-QHAWAJNXSA-N 1 3 343.515 2.481 10 0 EEAEHO COC1CCN(C(C)(C)CNC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000353435178 465880080 /nfs/dbraw/zinc/88/00/80/465880080.db2.gz TWFJBGRTDFNYBI-MRXNPFEDSA-N 1 3 339.524 2.257 10 0 EEAEHO COC1CCN(C(C)(C)CNC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000353435178 465880086 /nfs/dbraw/zinc/88/00/86/465880086.db2.gz TWFJBGRTDFNYBI-MRXNPFEDSA-N 1 3 339.524 2.257 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccc(C)o1 ZINC000349469984 466120865 /nfs/dbraw/zinc/12/08/65/466120865.db2.gz SJCKYESNBQVRFO-QGZVFWFLSA-N 1 3 335.492 2.395 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccc(C)o1 ZINC000349469984 466120874 /nfs/dbraw/zinc/12/08/74/466120874.db2.gz SJCKYESNBQVRFO-QGZVFWFLSA-N 1 3 335.492 2.395 10 0 EEAEHO CC1CC[NH+](CCCCNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)CC1 ZINC000349673323 466186556 /nfs/dbraw/zinc/18/65/56/466186556.db2.gz XBLIQJFDOBJCNB-GOSISDBHSA-N 1 3 336.524 2.377 10 0 EEAEHO CN1CC[C@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000367616884 466451320 /nfs/dbraw/zinc/45/13/20/466451320.db2.gz MKOLTSBXOIVIAU-SZMVWBNQSA-N 1 3 348.466 2.020 10 0 EEAEHO CC(C)C[C@H](N[C@@H](C)c1ccc2c(c1)COC2)C(=O)NCC[NH+](C)C ZINC000347233079 466497440 /nfs/dbraw/zinc/49/74/40/466497440.db2.gz PVRKLPYABZTWIF-KXBFYZLASA-N 1 3 347.503 2.460 10 0 EEAEHO C[NH2+]CCC1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000417195674 466799593 /nfs/dbraw/zinc/79/95/93/466799593.db2.gz OEUOHPOQXIQKHY-LJQANCHMSA-N 1 3 346.519 2.190 10 0 EEAEHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000417253560 466816295 /nfs/dbraw/zinc/81/62/95/466816295.db2.gz LRVZZCPFZOKRLH-KYHPRHEASA-N 1 3 332.492 2.352 10 0 EEAEHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000417253560 466816298 /nfs/dbraw/zinc/81/62/98/466816298.db2.gz LRVZZCPFZOKRLH-KYHPRHEASA-N 1 3 332.492 2.352 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417536189 466879431 /nfs/dbraw/zinc/87/94/31/466879431.db2.gz QLKMHHYKVJWDPP-XWTMOSNGSA-N 1 3 336.524 2.280 10 0 EEAEHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417666111 466903846 /nfs/dbraw/zinc/90/38/46/466903846.db2.gz FCMWEKFWNMMGTH-FHWLQOOXSA-N 1 3 342.487 2.044 10 0 EEAEHO CC(C)c1ccc([C@@H](N)CNC(=O)COC2CCC([NH3+])CC2)cc1 ZINC000417784390 466934686 /nfs/dbraw/zinc/93/46/86/466934686.db2.gz AOFVZGUOZKKFRF-ABHNRTSZSA-N 1 3 333.476 2.213 10 0 EEAEHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418031510 467028224 /nfs/dbraw/zinc/02/82/24/467028224.db2.gz KSBCESOFUGMNHO-UHOSZYNNSA-N 1 3 346.519 2.440 10 0 EEAEHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc3c(c2)CNC3)[C@H](C)C1 ZINC000418550568 467127131 /nfs/dbraw/zinc/12/71/31/467127131.db2.gz HUCCJJUKSBSORS-RDTXWAMCSA-N 1 3 330.476 2.162 10 0 EEAEHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc3c(c2)CNC3)[C@H](C)C1 ZINC000418550568 467127132 /nfs/dbraw/zinc/12/71/32/467127132.db2.gz HUCCJJUKSBSORS-RDTXWAMCSA-N 1 3 330.476 2.162 10 0 EEAEHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418702646 467147522 /nfs/dbraw/zinc/14/75/22/467147522.db2.gz HDRACIZNJWVHQM-LZLYRXPVSA-N 1 3 332.492 2.276 10 0 EEAEHO O=C1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCCN1 ZINC000383453849 467380703 /nfs/dbraw/zinc/38/07/03/467380703.db2.gz HTGJGTTVIAQHNS-ZSYWTGECSA-N 1 3 327.472 2.155 10 0 EEAEHO C[C@@]1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC(=O)N1 ZINC000453429998 467489056 /nfs/dbraw/zinc/48/90/56/467489056.db2.gz QTOBRFKXXZPJLD-DMUMMCEESA-N 1 3 327.472 2.440 10 0 EEAEHO C[C@@]1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC(=O)N1 ZINC000453429998 467489059 /nfs/dbraw/zinc/48/90/59/467489059.db2.gz QTOBRFKXXZPJLD-DMUMMCEESA-N 1 3 327.472 2.440 10 0 EEAEHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CCCCN2CCO)CC1 ZINC000449393251 467637048 /nfs/dbraw/zinc/63/70/48/467637048.db2.gz LWHWJUCRGLLLBB-HOJAQTOUSA-N 1 3 337.552 2.466 10 0 EEAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CCN2CCC(O)CC2)CC1 ZINC000449649501 467676411 /nfs/dbraw/zinc/67/64/11/467676411.db2.gz ITEWXDMLSDXWAZ-GOSISDBHSA-N 1 3 345.531 2.128 10 0 EEAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCN2CCC(O)CC2)CC1 ZINC000449649501 467676415 /nfs/dbraw/zinc/67/64/15/467676415.db2.gz ITEWXDMLSDXWAZ-GOSISDBHSA-N 1 3 345.531 2.128 10 0 EEAEHO CN1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000597406781 468546838 /nfs/dbraw/zinc/54/68/38/468546838.db2.gz VEWDILIXDFNAAU-QZTJIDSGSA-N 1 3 336.524 2.425 10 0 EEAEHO CN1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000597406781 468546841 /nfs/dbraw/zinc/54/68/41/468546841.db2.gz VEWDILIXDFNAAU-QZTJIDSGSA-N 1 3 336.524 2.425 10 0 EEAEHO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCN(C)C(C)(C)C3)cn2)CCO1 ZINC000623358010 469634104 /nfs/dbraw/zinc/63/41/04/469634104.db2.gz LKPPIGWYGDOTDI-WBVHZDCISA-N 1 3 332.492 2.269 10 0 EEAEHO C[NH2+]C1(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCC1 ZINC000629999419 469697870 /nfs/dbraw/zinc/69/78/70/469697870.db2.gz IIOBKOJDVLMUGC-MRXNPFEDSA-N 1 3 333.451 2.296 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(C(F)F)nc1 ZINC000617502109 469699167 /nfs/dbraw/zinc/69/91/67/469699167.db2.gz CLDOQSPRUDAGFS-LBPRGKRZSA-N 1 3 328.407 2.021 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(C(F)F)nc1 ZINC000617502109 469699173 /nfs/dbraw/zinc/69/91/73/469699173.db2.gz CLDOQSPRUDAGFS-LBPRGKRZSA-N 1 3 328.407 2.021 10 0 EEAEHO C[C@H](Cc1ccccc1F)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505673 469704112 /nfs/dbraw/zinc/70/41/12/469704112.db2.gz MFFZEYUZYYALAK-CVEARBPZSA-N 1 3 337.483 2.393 10 0 EEAEHO C[C@H](Cc1ccccc1F)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505673 469704116 /nfs/dbraw/zinc/70/41/16/469704116.db2.gz MFFZEYUZYYALAK-CVEARBPZSA-N 1 3 337.483 2.393 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1SCCc2ccccc21 ZINC000617505394 469704258 /nfs/dbraw/zinc/70/42/58/469704258.db2.gz AWSQAMSGCDHCEF-YJBOKZPZSA-N 1 3 349.544 2.405 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1SCCc2ccccc21 ZINC000617505394 469704263 /nfs/dbraw/zinc/70/42/63/469704263.db2.gz AWSQAMSGCDHCEF-YJBOKZPZSA-N 1 3 349.544 2.405 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000626984540 469778266 /nfs/dbraw/zinc/77/82/66/469778266.db2.gz HWERLJGCVUMIBS-TTZDDIAXSA-N 1 3 336.505 2.181 10 0 EEAEHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@H]1CCCCO1 ZINC000623868957 469783908 /nfs/dbraw/zinc/78/39/08/469783908.db2.gz LVKORAIDSUVIAV-YLJYHZDGSA-N 1 3 331.504 2.481 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000627030298 469795984 /nfs/dbraw/zinc/79/59/84/469795984.db2.gz HSQQTPQVKXWRLA-JQHSSLGASA-N 1 3 344.503 2.337 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000627168726 469832032 /nfs/dbraw/zinc/83/20/32/469832032.db2.gz DTFPTJASCDICPT-DLBZAZTESA-N 1 3 336.455 2.039 10 0 EEAEHO CCN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(CC)C1 ZINC000617923427 469837937 /nfs/dbraw/zinc/83/79/37/469837937.db2.gz CEQBIWGWDSSHHA-RBUKOAKNSA-N 1 3 329.488 2.451 10 0 EEAEHO CCN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(CC)C1 ZINC000617923427 469837941 /nfs/dbraw/zinc/83/79/41/469837941.db2.gz CEQBIWGWDSSHHA-RBUKOAKNSA-N 1 3 329.488 2.451 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(Cc2ccco2)C2CCN(C)CC2)CC[N@@H+]1C ZINC000631269321 470107365 /nfs/dbraw/zinc/10/73/65/470107365.db2.gz OVRPIZJHHJVJMX-ZWKOTPCHSA-N 1 3 333.476 2.433 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(Cc2ccco2)C2CCN(C)CC2)CC[N@H+]1C ZINC000631269321 470107367 /nfs/dbraw/zinc/10/73/67/470107367.db2.gz OVRPIZJHHJVJMX-ZWKOTPCHSA-N 1 3 333.476 2.433 10 0 EEAEHO c1cc(N2CCNCC2)cc(N[C@@H]2CCCC[C@H]2[C@H]2CCOC2)[nH+]1 ZINC000635007082 470400040 /nfs/dbraw/zinc/40/00/40/470400040.db2.gz DSWNGWOFCVOKHJ-RYQLBKOJSA-N 1 3 330.476 2.498 10 0 EEAEHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000645951168 470472744 /nfs/dbraw/zinc/47/27/44/470472744.db2.gz DVZZYHLBBBRQFP-HZPDHXFCSA-N 1 3 332.492 2.405 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000649370201 470562371 /nfs/dbraw/zinc/56/23/71/470562371.db2.gz HNCOKFWAHSLLMN-HNNXBMFYSA-N 1 3 331.460 2.032 10 0 EEAEHO CN(Cc1ccccc1)[C@H](CNC(=O)NCCC1(C[NH3+])CC1)C1CC1 ZINC000652180288 471251668 /nfs/dbraw/zinc/25/16/68/471251668.db2.gz OWIZKUQOGXISHA-GOSISDBHSA-N 1 3 344.503 2.325 10 0 EEAEHO CN(Cc1ccccc1)C1(CNC(=O)NCCC2(C[NH3+])CC2)CCC1 ZINC000652197188 471254813 /nfs/dbraw/zinc/25/48/13/471254813.db2.gz QMRKEQDNJNQBME-UHFFFAOYSA-N 1 3 344.503 2.469 10 0 EEAEHO CCN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000663452647 471385606 /nfs/dbraw/zinc/38/56/06/471385606.db2.gz LURCDXDOCBUGKI-OALUTQOASA-N 1 3 344.503 2.387 10 0 EEAEHO CCN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000663452647 471385611 /nfs/dbraw/zinc/38/56/11/471385611.db2.gz LURCDXDOCBUGKI-OALUTQOASA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(Cl)s1 ZINC000663694503 471478231 /nfs/dbraw/zinc/47/82/31/471478231.db2.gz GOZPZNFRFGNBIG-LBPRGKRZSA-N 1 3 346.928 2.473 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(Cl)s1 ZINC000663694503 471478234 /nfs/dbraw/zinc/47/82/34/471478234.db2.gz GOZPZNFRFGNBIG-LBPRGKRZSA-N 1 3 346.928 2.473 10 0 EEAEHO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659047358 471487533 /nfs/dbraw/zinc/48/75/33/471487533.db2.gz RUFOJBJNWMUWBW-GOSISDBHSA-N 1 3 346.475 2.297 10 0 EEAEHO C[NH2+]Cc1ccccc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000659303214 471572650 /nfs/dbraw/zinc/57/26/50/471572650.db2.gz MEVNWDNIUWOAEM-CHWSQXEVSA-N 1 3 346.349 2.329 10 0 EEAEHO [NH3+]C[C@@H](C(=O)Nc1ccc([C@@H]2CNCCO2)cc1)c1ccccc1 ZINC000659368919 471595231 /nfs/dbraw/zinc/59/52/31/471595231.db2.gz QEWQAMJXEQIONL-MSOLQXFVSA-N 1 3 325.412 2.029 10 0 EEAEHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000667795986 471907196 /nfs/dbraw/zinc/90/71/96/471907196.db2.gz XMJMAQLTMPQENR-OKILXGFUSA-N 1 3 331.464 2.112 10 0 EEAEHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000667795986 471907202 /nfs/dbraw/zinc/90/72/02/471907202.db2.gz XMJMAQLTMPQENR-OKILXGFUSA-N 1 3 331.464 2.112 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000654374828 471933339 /nfs/dbraw/zinc/93/33/39/471933339.db2.gz OQOGWHSUFRBEMT-UWUNEBHHSA-N 1 3 344.503 2.074 10 0 EEAEHO c1c(N2CCNCC2)n[nH]c1[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000662337918 472077493 /nfs/dbraw/zinc/07/74/93/472077493.db2.gz NUEUFMPYNYDBGT-TVFCKZIOSA-N 1 3 343.519 2.435 10 0 EEAEHO c1c(N2CCNCC2)n[nH]c1[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000662337918 472077497 /nfs/dbraw/zinc/07/74/97/472077497.db2.gz NUEUFMPYNYDBGT-TVFCKZIOSA-N 1 3 343.519 2.435 10 0 EEAEHO C[C@H](CC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[C@H]1CCC[NH2+]C1 ZINC000662687513 472206575 /nfs/dbraw/zinc/20/65/75/472206575.db2.gz ZHXCVFXWDCSIRQ-HFTRVMKXSA-N 1 3 331.460 2.312 10 0 EEAEHO C[C@H](CCNC(=O)N[C@H]1CCCN(C)C1)[N@H+](C)Cc1ccccc1 ZINC000673771261 485524172 /nfs/dbraw/zinc/52/41/72/485524172.db2.gz GMIFHFDOGPEJFI-AEFFLSMTSA-N 1 3 332.492 2.290 10 0 EEAEHO C[C@H](CCNC(=O)N[C@H]1CCCN(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000673771261 485524183 /nfs/dbraw/zinc/52/41/83/485524183.db2.gz GMIFHFDOGPEJFI-AEFFLSMTSA-N 1 3 332.492 2.290 10 0 EEAEHO CO[C@H]1CCC[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000684373869 485862817 /nfs/dbraw/zinc/86/28/17/485862817.db2.gz DDFAOXXVQLIAGS-HKUYNNGSSA-N 1 3 332.492 2.141 10 0 EEAEHO CCN1CCC[C@@H]1CNC(=S)NC1CCC(C[NH+](C)C)CC1 ZINC000749736973 577980941 /nfs/dbraw/zinc/98/09/41/577980941.db2.gz SWBMTKPXFGUZET-UYSNPLJNSA-N 1 3 326.554 2.055 10 0 EEAEHO OC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@H]1CCCOC1 ZINC000894994762 683455685 /nfs/dbraw/zinc/45/56/85/683455685.db2.gz VAAYEMAGOXFZIN-SXYSDOLCSA-N 1 3 344.499 2.417 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@@H]1CN(CCCF)CC1(C)C)[NH+]1CCCC1 ZINC001485588507 1191858559 /nfs/dbraw/zinc/85/85/59/1191858559.db2.gz ZHPODYJDMFOUPK-CVEARBPZSA-N 1 3 327.488 2.293 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCF)CC1(C)C)N1CCCC1 ZINC001485588507 1191858560 /nfs/dbraw/zinc/85/85/60/1191858560.db2.gz ZHPODYJDMFOUPK-CVEARBPZSA-N 1 3 327.488 2.293 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCF)CC1(C)C)N1CCCC1 ZINC001485588507 1191858561 /nfs/dbraw/zinc/85/85/61/1191858561.db2.gz ZHPODYJDMFOUPK-CVEARBPZSA-N 1 3 327.488 2.293 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC(F)(F)F)C[C@H]2C1 ZINC001485656398 1191874731 /nfs/dbraw/zinc/87/47/31/1191874731.db2.gz CMWQEPMRRCKEJL-RRFJBIMHSA-N 1 3 349.441 2.497 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC(F)(F)F)C[C@H]2C1 ZINC001485656398 1191874733 /nfs/dbraw/zinc/87/47/33/1191874733.db2.gz CMWQEPMRRCKEJL-RRFJBIMHSA-N 1 3 349.441 2.497 10 0 EEAEHO Cc1nc(CNCCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)sc1C ZINC001485747622 1191929861 /nfs/dbraw/zinc/92/98/61/1191929861.db2.gz GISPYIFVMVVMHF-DOMZBBRYSA-N 1 3 338.521 2.086 10 0 EEAEHO Cc1nc(CNCCC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)sc1C ZINC001485747622 1191929863 /nfs/dbraw/zinc/92/98/63/1191929863.db2.gz GISPYIFVMVVMHF-DOMZBBRYSA-N 1 3 338.521 2.086 10 0 EEAEHO Cc1nocc1C[NH2+][C@H](CCNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001485785193 1191951638 /nfs/dbraw/zinc/95/16/38/1191951638.db2.gz SKZYRPXNRSVUAF-MRXNPFEDSA-N 1 3 336.480 2.088 10 0 EEAEHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCOc2cc(C)cc(C)c2)C1)N(C)C ZINC001266632722 1177029349 /nfs/dbraw/zinc/02/93/49/1177029349.db2.gz OOVOUVOYSKIRCK-ZHALLVOQSA-N 1 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COCc1ccc(CN(C)CCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001482642247 1187473125 /nfs/dbraw/zinc/47/31/25/1187473125.db2.gz ATRWPCBCBZSUFX-LJQANCHMSA-N 1 3 347.503 2.065 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001482693319 1187659991 /nfs/dbraw/zinc/65/99/91/1187659991.db2.gz LWLLZAHYTWQPGM-GOEBONIOSA-N 1 3 346.500 2.439 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)CN1CC[C@H](C)C1 ZINC001482870790 1187790775 /nfs/dbraw/zinc/79/07/75/1187790775.db2.gz GWKBONKZYJQVNX-HOTGVXAUSA-N 1 3 342.487 2.494 10 0 EEAEHO CC[C@H](C(=O)NC/C=C/C[NH2+][C@@H]1CCc2c1cccc2F)N(C)C ZINC001483022910 1188012743 /nfs/dbraw/zinc/01/27/43/1188012743.db2.gz LUULYNKAVWAUKB-PJHKVULZSA-N 1 3 333.451 2.415 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)NC/C=C\CNCc2ccc(F)c(Cl)c2)C1 ZINC001483092928 1188460958 /nfs/dbraw/zinc/46/09/58/1188460958.db2.gz LAWFOCRATUUSAS-SFAKSCPVSA-N 1 3 339.842 2.193 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)NC/C=C\CNCc2ccc(F)c(Cl)c2)C1 ZINC001483092928 1188460961 /nfs/dbraw/zinc/46/09/61/1188460961.db2.gz LAWFOCRATUUSAS-SFAKSCPVSA-N 1 3 339.842 2.193 10 0 EEAEHO C[C@H](CNCc1cc2ccccc2o1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483129345 1188611510 /nfs/dbraw/zinc/61/15/10/1188611510.db2.gz WNYCVUOIMYECPB-CKEIUWERSA-N 1 3 329.444 2.367 10 0 EEAEHO C[C@H](CNCc1cc2ccccc2o1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483129345 1188611513 /nfs/dbraw/zinc/61/15/13/1188611513.db2.gz WNYCVUOIMYECPB-CKEIUWERSA-N 1 3 329.444 2.367 10 0 EEAEHO COCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001691628934 1188784144 /nfs/dbraw/zinc/78/41/44/1188784144.db2.gz FLYXMQXFUABUBX-ZWKOTPCHSA-N 1 3 341.540 2.360 10 0 EEAEHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001485881530 1193628357 /nfs/dbraw/zinc/62/83/57/1193628357.db2.gz HUNAIHFZOQLKQV-ZIAGYGMSSA-N 1 3 331.451 2.343 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001483490348 1190504685 /nfs/dbraw/zinc/50/46/85/1190504685.db2.gz GYRZVJCFOSWESH-MRXNPFEDSA-N 1 3 340.899 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ZINC001483767984 1191001652 /nfs/dbraw/zinc/00/16/52/1191001652.db2.gz SWKAMLKYRGWAGQ-CXAGYDPISA-N 1 3 331.451 2.185 10 0 EEAEHO CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC2CCOCC2)C1)N(CC)CC ZINC001484058119 1191180631 /nfs/dbraw/zinc/18/06/31/1191180631.db2.gz PKGQGKSQXPLECV-PKOBYXMFSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CC2CCOCC2)C1)N(CC)CC ZINC001484058119 1191180634 /nfs/dbraw/zinc/18/06/34/1191180634.db2.gz PKGQGKSQXPLECV-PKOBYXMFSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@]1(C[NH2+]CC2CC3(CCC3)C2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484113782 1191214258 /nfs/dbraw/zinc/21/42/58/1191214258.db2.gz IUBKWMOVKPDOKK-SFHVURJKSA-N 1 3 330.476 2.361 10 0 EEAEHO CN(CCC[N@H+](C)CCCF)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001484759279 1191511834 /nfs/dbraw/zinc/51/18/34/1191511834.db2.gz XJIRAEYNDAQSQT-KRWDZBQOSA-N 1 3 333.467 2.339 10 0 EEAEHO CN(CCC[N@@H+](C)CCCF)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001484759279 1191511835 /nfs/dbraw/zinc/51/18/35/1191511835.db2.gz 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C[C@H]1CCN(CC(=O)NCC2=CC[N@@H+](CC3CC(F)(F)C3)CC2)C1 ZINC001486515804 1194035809 /nfs/dbraw/zinc/03/58/09/1194035809.db2.gz QKTFWJFUURWJIY-AWEZNQCLSA-N 1 3 341.446 2.122 10 0 EEAEHO C[C@H](CC[NH2+]Cc1cccnc1)NC(=O)c1cccc(CN(C)C)c1 ZINC001273204200 1197515166 /nfs/dbraw/zinc/51/51/66/1197515166.db2.gz KGLNIRMQVYKBAZ-MRXNPFEDSA-N 1 3 340.471 2.441 10 0 EEAEHO Cc1ccncc1CN[C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001410406842 1197814763 /nfs/dbraw/zinc/81/47/63/1197814763.db2.gz JFQMQRDCXDTRCU-MJGOQNOKSA-N 1 3 346.519 2.447 10 0 EEAEHO Cc1ccncc1CN[C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001410406842 1197814770 /nfs/dbraw/zinc/81/47/70/1197814770.db2.gz JFQMQRDCXDTRCU-MJGOQNOKSA-N 1 3 346.519 2.447 10 0 EEAEHO Cc1ncsc1CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001410457000 1197931806 /nfs/dbraw/zinc/93/18/06/1197931806.db2.gz SHTRSKBLJDATKZ-IPYPFGDCSA-N 1 3 338.521 2.118 10 0 EEAEHO Cc1ncsc1CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001410457000 1197931815 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336.480 2.088 10 0 EEAEHO Cc1ncc(CN[C@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)o1 ZINC001442269756 1096575065 /nfs/dbraw/zinc/57/50/65/1096575065.db2.gz CGHLMHRQQIDJCD-PBHICJAKSA-N 1 3 336.480 2.088 10 0 EEAEHO CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1ccc2cc[nH]c2c1 ZINC001442577575 1096940817 /nfs/dbraw/zinc/94/08/17/1096940817.db2.gz QNELTTRPPGFUPR-INIZCTEOSA-N 1 3 328.460 2.058 10 0 EEAEHO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1ccc2cc[nH]c2c1 ZINC001442577575 1096940823 /nfs/dbraw/zinc/94/08/23/1096940823.db2.gz QNELTTRPPGFUPR-INIZCTEOSA-N 1 3 328.460 2.058 10 0 EEAEHO CN(CC[NH2+][C@H]1CCc2c1cc(F)cc2F)C(=O)[C@@H]1CCCN1C ZINC001443110697 1097524454 /nfs/dbraw/zinc/52/44/54/1097524454.db2.gz VPKXFAUMKMKSPE-IRXDYDNUSA-N 1 3 337.414 2.094 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCc2cnccc2C)C1 ZINC001480523428 1100353350 /nfs/dbraw/zinc/35/33/50/1100353350.db2.gz YDSWGCLFPNNDID-IAGOWNOFSA-N 1 3 332.492 2.106 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCc2cnccc2C)C1 ZINC001480523428 1100353358 /nfs/dbraw/zinc/35/33/58/1100353358.db2.gz YDSWGCLFPNNDID-IAGOWNOFSA-N 1 3 332.492 2.106 10 0 EEAEHO Cc1ccc(F)c(CNC[C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001445366595 1100603110 /nfs/dbraw/zinc/60/31/10/1100603110.db2.gz MZZKVJQSRJOLFX-PBHICJAKSA-N 1 3 333.451 2.070 10 0 EEAEHO COCc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN(C)C(C)C)cc1 ZINC001446458686 1100881016 /nfs/dbraw/zinc/88/10/16/1100881016.db2.gz GCFIHIYZUHBDIU-IBGZPJMESA-N 1 3 347.503 2.254 10 0 EEAEHO CCc1nocc1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001496404715 1100997665 /nfs/dbraw/zinc/99/76/65/1100997665.db2.gz SPPPRDIAMAJVMZ-SJLPKXTDSA-N 1 3 348.491 2.192 10 0 EEAEHO C[C@@H](O)C[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001496424813 1101016052 /nfs/dbraw/zinc/01/60/52/1101016052.db2.gz ANGVRASWLLMIMH-APWZRJJASA-N 1 3 347.503 2.103 10 0 EEAEHO Cc1cc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CN(C)C(C)C)sn1 ZINC001496925551 1101728512 /nfs/dbraw/zinc/72/85/12/1101728512.db2.gz UPXZFDXXEAUNLS-GDBMZVCRSA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1cnc([C@H](C)NCC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)cn1 ZINC001447076968 1101937488 /nfs/dbraw/zinc/93/74/88/1101937488.db2.gz JEFQLOHDTRPCKF-DLBZAZTESA-N 1 3 347.507 2.016 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1([NH2+]Cc2cnn(C(C)(C)C)c2)CCC1 ZINC001447252009 1102301160 /nfs/dbraw/zinc/30/11/60/1102301160.db2.gz SPBRLTRYPYHQAV-UHFFFAOYSA-N 1 3 349.523 2.107 10 0 EEAEHO C[C@H](CNCc1cccc(Cl)c1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001497910030 1103307823 /nfs/dbraw/zinc/30/78/23/1103307823.db2.gz FAWKTOOHPBCZBC-QWHCGFSZSA-N 1 3 341.858 2.415 10 0 EEAEHO C[C@H](CNCc1cccc(Cl)c1F)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001497910030 1103307843 /nfs/dbraw/zinc/30/78/43/1103307843.db2.gz FAWKTOOHPBCZBC-QWHCGFSZSA-N 1 3 341.858 2.415 10 0 EEAEHO CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001495060110 1104697974 /nfs/dbraw/zinc/69/79/74/1104697974.db2.gz XOWZGEGFNGNEMO-HOTGVXAUSA-N 1 3 341.540 2.264 10 0 EEAEHO COc1cccc(C[N@H+](C)C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)c1C ZINC001498380777 1107423667 /nfs/dbraw/zinc/42/36/67/1107423667.db2.gz KEQCHQPDZLBSDS-CVEARBPZSA-N 1 3 347.503 2.282 10 0 EEAEHO COc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)c1C ZINC001498380777 1107423676 /nfs/dbraw/zinc/42/36/76/1107423676.db2.gz KEQCHQPDZLBSDS-CVEARBPZSA-N 1 3 347.503 2.282 10 0 EEAEHO CN(CCN1CCC(O)(C[NH+]2CCCCC2)CC1)c1ccccc1 ZINC001473876204 1110583400 /nfs/dbraw/zinc/58/34/00/1110583400.db2.gz JTMRVFASJKYMBJ-UHFFFAOYSA-N 1 3 331.504 2.436 10 0 EEAEHO Cc1ccc(F)cc1CNC1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001499228145 1112188664 /nfs/dbraw/zinc/18/86/64/1112188664.db2.gz DMJRDWCFYRRKOE-SFHVURJKSA-N 1 3 345.462 2.214 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001501242661 1113258884 /nfs/dbraw/zinc/25/88/84/1113258884.db2.gz LRWQKTSYGHLXAN-CALCHBBNSA-N 1 3 333.451 2.056 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001501242661 1113258888 /nfs/dbraw/zinc/25/88/88/1113258888.db2.gz LRWQKTSYGHLXAN-CALCHBBNSA-N 1 3 333.451 2.056 10 0 EEAEHO Cc1ccc(CC[NH2+]CC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001501621667 1113402443 /nfs/dbraw/zinc/40/24/43/1113402443.db2.gz HLVLGKBWWVHKSU-SFHVURJKSA-N 1 3 340.471 2.332 10 0 EEAEHO CCOCCC[NH2+]C1(C)CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001502797804 1113803096 /nfs/dbraw/zinc/80/30/96/1113803096.db2.gz SUVLJSZUIFHWCT-UHFFFAOYSA-N 1 3 341.540 2.362 10 0 EEAEHO Cc1ccc(C[NH2+]CC2CC(NC(=O)CN(C)C3CCC3)C2)c(C)n1 ZINC001505502190 1114026304 /nfs/dbraw/zinc/02/63/04/1114026304.db2.gz ZTQNQQMYMYDZRN-UHFFFAOYSA-N 1 3 344.503 2.167 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2cccnc2C)C(C)(C)C1 ZINC001507449448 1115275736 /nfs/dbraw/zinc/27/57/36/1115275736.db2.gz FDHMSAILTCTEHZ-QGZVFWFLSA-N 1 3 332.492 2.058 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2cccnc2C)C(C)(C)C1 ZINC001507449448 1115275737 /nfs/dbraw/zinc/27/57/37/1115275737.db2.gz FDHMSAILTCTEHZ-QGZVFWFLSA-N 1 3 332.492 2.058 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C[NH2+]CCc1ccns1)C(C)(C)C)N(C)C ZINC001507963486 1115381070 /nfs/dbraw/zinc/38/10/70/1115381070.db2.gz LOWZDSMNBQFQJB-CABCVRRESA-N 1 3 340.537 2.146 10 0 EEAEHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CN(C)C(C)C)C2)c(C)n1 ZINC001508154678 1115428831 /nfs/dbraw/zinc/42/88/31/1115428831.db2.gz HKBMVZYUMNQWBV-UHFFFAOYSA-N 1 3 332.492 2.118 10 0 EEAEHO CCOCCN(C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001569118928 1125110029 /nfs/dbraw/zinc/11/00/29/1125110029.db2.gz XKAWMHCSOYSLGF-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO CCOCCN(C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001569118928 1125110030 /nfs/dbraw/zinc/11/00/30/1125110030.db2.gz XKAWMHCSOYSLGF-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363247223 282116341 /nfs/dbraw/zinc/11/63/41/282116341.db2.gz KNXAACOLGMLHCF-RTBURBONSA-N 1 3 344.503 2.039 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000363247223 282116342 /nfs/dbraw/zinc/11/63/42/282116342.db2.gz KNXAACOLGMLHCF-RTBURBONSA-N 1 3 344.503 2.039 10 0 EEAEHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CCN1CCc2ccccc2C1 ZINC000416165234 529965124 /nfs/dbraw/zinc/96/51/24/529965124.db2.gz DXTXSQYTJQMRTD-KRWDZBQOSA-N 1 3 329.488 2.235 10 0 EEAEHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CCN1CCc2ccccc2C1 ZINC000416165234 529965125 /nfs/dbraw/zinc/96/51/25/529965125.db2.gz DXTXSQYTJQMRTD-KRWDZBQOSA-N 1 3 329.488 2.235 10 0 EEAEHO COC[C@H](CCC[NH3+])NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422842564 240257949 /nfs/dbraw/zinc/25/79/49/240257949.db2.gz FXXKBPFDSLDXMD-SFHVURJKSA-N 1 3 342.443 2.177 10 0 EEAEHO COCCN(C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268829469 252278316 /nfs/dbraw/zinc/27/83/16/252278316.db2.gz QIXOVZWRJSQUHU-UYAOXDASSA-N 1 3 333.520 2.455 10 0 EEAEHO CN1CCNC[C@@H]1c1noc(-c2oc3ccccc3c2C[NH+](C)C)n1 ZINC000263231618 152405927 /nfs/dbraw/zinc/40/59/27/152405927.db2.gz NNFYAAKCKISYKO-CQSZACIVSA-N 1 3 341.415 2.121 10 0 EEAEHO O=C(CN[C@H](c1ccccc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000343565861 161147128 /nfs/dbraw/zinc/14/71/28/161147128.db2.gz RKPCTZVMZVYXAA-HXUWFJFHSA-N 1 3 327.472 2.470 10 0 EEAEHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CN(C)C[C@@H]3C)CC2)cc1 ZINC000343893911 161178368 /nfs/dbraw/zinc/17/83/68/161178368.db2.gz JOTYQHHQAGKPSJ-OXJNMPFZSA-N 1 3 331.504 2.447 10 0 EEAEHO COc1cc(Br)ccc1CNCC1(O)CC[NH+](C)CC1 ZINC000358968878 164025925 /nfs/dbraw/zinc/02/59/25/164025925.db2.gz AEOWLLYYFYUICA-UHFFFAOYSA-N 1 3 343.265 2.004 10 0 EEAEHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000246049570 289101112 /nfs/dbraw/zinc/10/11/12/289101112.db2.gz XXVNDPYIUVKHCG-JYSRZZCRSA-N 1 3 336.524 2.233 10 0 EEAEHO CC[N@@H+]1CC[C@@H](NCc2ccc(CN3CCOCC3)cc2)[C@@H](C)C1 ZINC000345227733 312270481 /nfs/dbraw/zinc/27/04/81/312270481.db2.gz GTYSTMLIKDRLNZ-FXAWDEMLSA-N 1 3 331.504 2.339 10 0 EEAEHO CC[N@H+]1CC[C@@H](NCc2ccc(CN3CCOCC3)cc2)[C@@H](C)C1 ZINC000345227733 312270484 /nfs/dbraw/zinc/27/04/84/312270484.db2.gz GTYSTMLIKDRLNZ-FXAWDEMLSA-N 1 3 331.504 2.339 10 0 EEAEHO CCN1CC[C@@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)[C@@H](C)C1 ZINC000345227733 312270486 /nfs/dbraw/zinc/27/04/86/312270486.db2.gz GTYSTMLIKDRLNZ-FXAWDEMLSA-N 1 3 331.504 2.339 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000416838836 313330579 /nfs/dbraw/zinc/33/05/79/313330579.db2.gz JGSYEJFPUWKDNT-RYQLBKOJSA-N 1 3 332.492 2.367 10 0 EEAEHO CC(C)[C@H](CNC(=O)N[C@H]1CNCCC1(F)F)[NH+]1CCC(C)CC1 ZINC000417002294 313389754 /nfs/dbraw/zinc/38/97/54/313389754.db2.gz GBQNDTIFXSBOEV-GJZGRUSLSA-N 1 3 346.466 2.039 10 0 EEAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)N(C)C ZINC000418159454 313729282 /nfs/dbraw/zinc/72/92/82/313729282.db2.gz AFSWHFKOWFSEHX-ONIAQPFYSA-N 1 3 332.492 2.283 10 0 EEAEHO N[C@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000418449851 313817079 /nfs/dbraw/zinc/81/70/79/313817079.db2.gz KXNBPOTXTHEUCE-QZTJIDSGSA-N 1 3 326.444 2.466 10 0 EEAEHO C[C@H]1CCC[C@@H](CCNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000525437325 317058874 /nfs/dbraw/zinc/05/88/74/317058874.db2.gz JSEHSALTIFDOCR-IRXDYDNUSA-N 1 3 326.529 2.338 10 0 EEAEHO CN(C)Cc1cccc(CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000563559404 319023419 /nfs/dbraw/zinc/02/34/19/319023419.db2.gz CXEDVXRGPCXYGQ-IBGZPJMESA-N 1 3 330.476 2.033 10 0 EEAEHO CCN1CCN(c2cccc(NC(=O)N(C)CCC[NH+](C)C)c2)CC1 ZINC000184917442 323429807 /nfs/dbraw/zinc/42/98/07/323429807.db2.gz NDQUTNPXTXJGGU-UHFFFAOYSA-N 1 3 347.507 2.244 10 0 EEAEHO CC(C)C[NH+]1CCC(NC(=O)N2CCc3ccccc3[C@@H]2CN)CC1 ZINC000578984119 323750891 /nfs/dbraw/zinc/75/08/91/323750891.db2.gz DDYOCDVQZKOHGL-IBGZPJMESA-N 1 3 344.503 2.375 10 0 EEAEHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000580539096 324083103 /nfs/dbraw/zinc/08/31/03/324083103.db2.gz IBDTWNNDHCOMJG-QFBILLFUSA-N 1 3 344.503 2.257 10 0 EEAEHO C[C@@H](CNC(=O)N[C@@H](CN(C)C)c1ccccc1)C[NH+]1CCCC1 ZINC000121174542 463092385 /nfs/dbraw/zinc/09/23/85/463092385.db2.gz KSLCFFWIKDXHEO-WMZOPIPTSA-N 1 3 332.492 2.320 10 0 EEAEHO CN1CCC(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000103298096 463400043 /nfs/dbraw/zinc/40/00/43/463400043.db2.gz HTJNRKFICABHGL-KRWDZBQOSA-N 1 3 336.524 2.378 10 0 EEAEHO C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000057203920 463464657 /nfs/dbraw/zinc/46/46/57/463464657.db2.gz UCYCUCFJHKSCDA-HKUYNNGSSA-N 1 3 346.519 2.333 10 0 EEAEHO C[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000057203920 463464659 /nfs/dbraw/zinc/46/46/59/463464659.db2.gz UCYCUCFJHKSCDA-HKUYNNGSSA-N 1 3 346.519 2.333 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCCN2C)CC1 ZINC000151719080 463580031 /nfs/dbraw/zinc/58/00/31/463580031.db2.gz UGLYMOPMWDNGHP-LJQANCHMSA-N 1 3 330.520 2.402 10 0 EEAEHO CCN1CCCC[C@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000111882802 463686215 /nfs/dbraw/zinc/68/62/15/463686215.db2.gz NZRVYNAPIHSBGD-SFHVURJKSA-N 1 3 336.524 2.378 10 0 EEAEHO CC1CC[NH+](Cc2cccc(CNC(=O)C3(N)CCOCC3)c2)CC1 ZINC000261950016 463908167 /nfs/dbraw/zinc/90/81/67/463908167.db2.gz YWZWASLXRUKLDH-UHFFFAOYSA-N 1 3 345.487 2.043 10 0 EEAEHO C[C@H](CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000179190620 464078118 /nfs/dbraw/zinc/07/81/18/464078118.db2.gz ONLGBWCVEWADPN-NZSAHSFTSA-N 1 3 344.503 2.463 10 0 EEAEHO C[C@H]1CN(CC2CCN(C(=O)CCCCCC[NH3+])CC2)C[C@H](C)O1 ZINC000237663057 464361296 /nfs/dbraw/zinc/36/12/96/464361296.db2.gz VNITWLYNNGQVPI-IRXDYDNUSA-N 1 3 339.524 2.243 10 0 EEAEHO C[C@@]1(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)CCCCN1 ZINC000180896669 464416823 /nfs/dbraw/zinc/41/68/23/464416823.db2.gz WCUYZSRFCFECPK-LPHOPBHVSA-N 1 3 345.443 2.066 10 0 EEAEHO COc1cc2c(cc1F)CC[C@@H]2NCCN1CCC([NH+](C)C)CC1 ZINC000281500150 464480022 /nfs/dbraw/zinc/48/00/22/464480022.db2.gz GREGZFNQWNTIBH-SFHVURJKSA-N 1 3 335.467 2.437 10 0 EEAEHO O[C@H](COCc1ccccc1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000175759674 464618555 /nfs/dbraw/zinc/61/85/55/464618555.db2.gz XJNAPVRMUGJUDA-FQEVSTJZSA-N 1 3 332.488 2.372 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[C@H](O)C2)CC1 ZINC000353209955 465717644 /nfs/dbraw/zinc/71/76/44/465717644.db2.gz VJZYTISXEDGFAK-MJGOQNOKSA-N 1 3 331.504 2.469 10 0 EEAEHO CC[C@@H](Cn1cncn1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000353430941 465876767 /nfs/dbraw/zinc/87/67/67/465876767.db2.gz XJGCEBYTMREBQA-SFHVURJKSA-N 1 3 343.475 2.321 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](O)CC(C)(C)C ZINC000362687876 465940768 /nfs/dbraw/zinc/94/07/68/465940768.db2.gz XLDRRDVRWDWBOY-IAGOWNOFSA-N 1 3 341.540 2.048 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](O)CC(C)(C)C ZINC000362687876 465940774 /nfs/dbraw/zinc/94/07/74/465940774.db2.gz XLDRRDVRWDWBOY-IAGOWNOFSA-N 1 3 341.540 2.048 10 0 EEAEHO CN1CC[C@H]([NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353521812 465950502 /nfs/dbraw/zinc/95/05/02/465950502.db2.gz SQGCPYSIVJKRPE-XSDIEEQYSA-N 1 3 343.515 2.086 10 0 EEAEHO Cc1ccc2[nH+]ccc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)c2c1 ZINC000302204388 466120649 /nfs/dbraw/zinc/12/06/49/466120649.db2.gz CMLBVASSGLZPQX-LJQANCHMSA-N 1 3 338.455 2.286 10 0 EEAEHO CCOC(=O)c1cccc(CNCC2(SC)CC[NH+](C)CC2)n1 ZINC000600165521 468481389 /nfs/dbraw/zinc/48/13/89/468481389.db2.gz RQYCLFVUVYXODE-UHFFFAOYSA-N 1 3 337.489 2.175 10 0 EEAEHO CN(C(=O)NCCC[NH+]1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000353954492 466279465 /nfs/dbraw/zinc/27/94/65/466279465.db2.gz BXRFNDBPUHCKSW-LJQANCHMSA-N 1 3 344.503 2.388 10 0 EEAEHO CN(C)C(=O)COc1cccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367620575 466453047 /nfs/dbraw/zinc/45/30/47/466453047.db2.gz DAHJXPPZSGAQAO-OTWHNJEPSA-N 1 3 345.487 2.116 10 0 EEAEHO CN(C)C(=O)COc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367620575 466453056 /nfs/dbraw/zinc/45/30/56/466453056.db2.gz DAHJXPPZSGAQAO-OTWHNJEPSA-N 1 3 345.487 2.116 10 0 EEAEHO CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c1 ZINC000367620575 466453060 /nfs/dbraw/zinc/45/30/60/466453060.db2.gz DAHJXPPZSGAQAO-OTWHNJEPSA-N 1 3 345.487 2.116 10 0 EEAEHO Brc1cccc2c1C[C@H]([NH2+]C[C@@H]1CNCCCO1)CC2 ZINC000423495550 466758337 /nfs/dbraw/zinc/75/83/37/466758337.db2.gz URMSTWDGGWGHBV-KGLIPLIRSA-N 1 3 339.277 2.275 10 0 EEAEHO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000662252137 472043264 /nfs/dbraw/zinc/04/32/64/472043264.db2.gz MIJIXIOHLBDBAE-GOSISDBHSA-N 1 3 327.472 2.071 10 0 EEAEHO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000662252137 472043267 /nfs/dbraw/zinc/04/32/67/472043267.db2.gz MIJIXIOHLBDBAE-GOSISDBHSA-N 1 3 327.472 2.071 10 0 EEAEHO C[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)[C@H](C)[NH3+] ZINC000417219915 466806603 /nfs/dbraw/zinc/80/66/03/466806603.db2.gz XGGRFPUHEDJNFC-LZLYRXPVSA-N 1 3 332.492 2.495 10 0 EEAEHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000417240373 466812434 /nfs/dbraw/zinc/81/24/34/466812434.db2.gz PKLXPNQZKLXJOC-NVXWUHKLSA-N 1 3 332.492 2.496 10 0 EEAEHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000417240373 466812437 /nfs/dbraw/zinc/81/24/37/466812437.db2.gz PKLXPNQZKLXJOC-NVXWUHKLSA-N 1 3 332.492 2.496 10 0 EEAEHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000417253561 466816345 /nfs/dbraw/zinc/81/63/45/466816345.db2.gz LRVZZCPFZOKRLH-UIBIWLFHSA-N 1 3 332.492 2.352 10 0 EEAEHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000417253561 466816349 /nfs/dbraw/zinc/81/63/49/466816349.db2.gz LRVZZCPFZOKRLH-UIBIWLFHSA-N 1 3 332.492 2.352 10 0 EEAEHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000417583372 466886729 /nfs/dbraw/zinc/88/67/29/466886729.db2.gz KDFHWMUZXVCZOI-KGLIPLIRSA-N 1 3 346.466 2.183 10 0 EEAEHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000417583372 466886734 /nfs/dbraw/zinc/88/67/34/466886734.db2.gz KDFHWMUZXVCZOI-KGLIPLIRSA-N 1 3 346.466 2.183 10 0 EEAEHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000418469437 467115160 /nfs/dbraw/zinc/11/51/60/467115160.db2.gz UJAHEVFEAKTZJB-HNNXBMFYSA-N 1 3 330.476 2.476 10 0 EEAEHO CC1(C)C[N@H+](CCC(N)=O)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453006614 467455352 /nfs/dbraw/zinc/45/53/52/467455352.db2.gz CJMRVHXAVLHRHQ-IBGZPJMESA-N 1 3 329.488 2.484 10 0 EEAEHO CC1(C)C[N@@H+](CCC(N)=O)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453006614 467455357 /nfs/dbraw/zinc/45/53/57/467455357.db2.gz CJMRVHXAVLHRHQ-IBGZPJMESA-N 1 3 329.488 2.484 10 0 EEAEHO CCN1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1=O ZINC000453369769 467483297 /nfs/dbraw/zinc/48/32/97/467483297.db2.gz STDMCNPWWYEISY-MKXGPGLRSA-N 1 3 327.472 2.392 10 0 EEAEHO O=C(Nc1ccc2c(c1)OCCNC2)NC1CC([NH+]2CCCCC2)C1 ZINC000528710568 467733892 /nfs/dbraw/zinc/73/38/92/467733892.db2.gz SPHFNUGPKQEQNL-UHFFFAOYSA-N 1 3 344.459 2.307 10 0 EEAEHO CC(C)N(C(=O)[C@H](C)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000530241884 467966933 /nfs/dbraw/zinc/96/69/33/467966933.db2.gz RMBWJDYNNIKCEW-WMZOPIPTSA-N 1 3 339.524 2.111 10 0 EEAEHO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@H]1CC1(C)C ZINC000487547908 468044022 /nfs/dbraw/zinc/04/40/22/468044022.db2.gz ATQQJUHCSGTHLA-JQHSSLGASA-N 1 3 331.504 2.300 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CCN1C ZINC000516876088 468052425 /nfs/dbraw/zinc/05/24/25/468052425.db2.gz MPRXIVAUECRNGN-OIISXLGYSA-N 1 3 339.549 2.145 10 0 EEAEHO [NH3+]C1CCN(C(=O)NCc2ccccc2CN2CCCCC2)CC1 ZINC000519633048 468186105 /nfs/dbraw/zinc/18/61/05/468186105.db2.gz SFIXMLUPJNSEHL-UHFFFAOYSA-N 1 3 330.476 2.305 10 0 EEAEHO CN(CCC[NH3+])CCCOc1cccc(I)c1 ZINC000592427571 468695400 /nfs/dbraw/zinc/69/54/00/468695400.db2.gz CJSLCZLAXHCVCL-UHFFFAOYSA-N 1 3 348.228 2.341 10 0 EEAEHO C[C@@H](CSCCF)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000595018017 468744178 /nfs/dbraw/zinc/74/41/78/468744178.db2.gz ZPRMQSAOOVPOPL-INIZCTEOSA-N 1 3 340.512 2.275 10 0 EEAEHO CN1CCC[C@@H](CNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000571213331 468756086 /nfs/dbraw/zinc/75/60/86/468756086.db2.gz CCKLYNOHAMHGKZ-KRWDZBQOSA-N 1 3 329.488 2.300 10 0 EEAEHO C[N@@H+]1CC[C@H](NCc2ccc(NS(C)(=O)=O)cc2)[C@H]2CCC[C@@H]21 ZINC000560515476 468823934 /nfs/dbraw/zinc/82/39/34/468823934.db2.gz UNIVMEURLFOFPS-IKGGRYGDSA-N 1 3 337.489 2.021 10 0 EEAEHO C[N@H+]1CC[C@H](NCc2ccc(NS(C)(=O)=O)cc2)[C@H]2CCC[C@@H]21 ZINC000560515476 468823937 /nfs/dbraw/zinc/82/39/37/468823937.db2.gz UNIVMEURLFOFPS-IKGGRYGDSA-N 1 3 337.489 2.021 10 0 EEAEHO CN(C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)C1CC([NH3+])C1 ZINC000584400295 468862870 /nfs/dbraw/zinc/86/28/70/468862870.db2.gz UWUODMLPQIBKEL-FAFZWHIHSA-N 1 3 330.476 2.172 10 0 EEAEHO CCOC(=O)C[C@H](O)CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000599310625 469204153 /nfs/dbraw/zinc/20/41/53/469204153.db2.gz XQCMNRWEGVICMQ-WMZOPIPTSA-N 1 3 340.508 2.277 10 0 EEAEHO CCOC(=O)C[C@H](O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000599310625 469204157 /nfs/dbraw/zinc/20/41/57/469204157.db2.gz XQCMNRWEGVICMQ-WMZOPIPTSA-N 1 3 340.508 2.277 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CCCN(C)C2)[NH+](C)C)cc1 ZINC000618547105 469383749 /nfs/dbraw/zinc/38/37/49/469383749.db2.gz BTLCZIBBTGSJDB-MSOLQXFVSA-N 1 3 332.492 2.245 10 0 EEAEHO CN1CCC[C@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000618554609 469386608 /nfs/dbraw/zinc/38/66/08/469386608.db2.gz QSCPACQAVHGHHC-ZWKOTPCHSA-N 1 3 330.476 2.217 10 0 EEAEHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)c2)CC1 ZINC000625879030 469422114 /nfs/dbraw/zinc/42/21/14/469422114.db2.gz DNRUDFMNOKSVPX-DOTOQJQBSA-N 1 3 345.491 2.091 10 0 EEAEHO COc1ccc([C@@H](C)NCCOCCC[NH3+])cc1Br ZINC000629535291 469574586 /nfs/dbraw/zinc/57/45/86/469574586.db2.gz DFFQQQOCYBRYDB-LLVKDONJSA-N 1 3 331.254 2.474 10 0 EEAEHO C[N@@H+]1CC[C@@H](NC[C@@H]2CN(Cc3ccccc3)CCO2)CC1(C)C ZINC000623340470 469629389 /nfs/dbraw/zinc/62/93/89/469629389.db2.gz JGLMWIPTSARQTG-RTBURBONSA-N 1 3 331.504 2.350 10 0 EEAEHO C[N@H+]1CC[C@@H](NC[C@@H]2CN(Cc3ccccc3)CCO2)CC1(C)C ZINC000623340470 469629392 /nfs/dbraw/zinc/62/93/92/469629392.db2.gz JGLMWIPTSARQTG-RTBURBONSA-N 1 3 331.504 2.350 10 0 EEAEHO C[N@@H+]1CC[C@H](NCCN2CCN(c3ccc(F)cc3)CC2)CC1(C)C ZINC000623351139 469631869 /nfs/dbraw/zinc/63/18/69/469631869.db2.gz CJALLEKQYXKOQO-SFHVURJKSA-N 1 3 348.510 2.410 10 0 EEAEHO C[N@H+]1CC[C@H](NCCN2CCN(c3ccc(F)cc3)CC2)CC1(C)C ZINC000623351139 469631871 /nfs/dbraw/zinc/63/18/71/469631871.db2.gz CJALLEKQYXKOQO-SFHVURJKSA-N 1 3 348.510 2.410 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1Cc2ccccc2S1 ZINC000617503934 469701848 /nfs/dbraw/zinc/70/18/48/469701848.db2.gz BFTXETKNNIVYGH-YOEHRIQHSA-N 1 3 335.517 2.092 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1Cc2ccccc2S1 ZINC000617503934 469701851 /nfs/dbraw/zinc/70/18/51/469701851.db2.gz BFTXETKNNIVYGH-YOEHRIQHSA-N 1 3 335.517 2.092 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCc2ccccc21 ZINC000617504473 469702140 /nfs/dbraw/zinc/70/21/40/469702140.db2.gz XMDBSICNYUHQGC-LPHOPBHVSA-N 1 3 331.504 2.495 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCc2ccccc21 ZINC000617504473 469702145 /nfs/dbraw/zinc/70/21/45/469702145.db2.gz XMDBSICNYUHQGC-LPHOPBHVSA-N 1 3 331.504 2.495 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cncc2ccccc21 ZINC000617505074 469703232 /nfs/dbraw/zinc/70/32/32/469703232.db2.gz WJRHFJDWKMWSJO-HNNXBMFYSA-N 1 3 328.460 2.237 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cncc2ccccc21 ZINC000617505074 469703236 /nfs/dbraw/zinc/70/32/36/469703236.db2.gz WJRHFJDWKMWSJO-HNNXBMFYSA-N 1 3 328.460 2.237 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCc1cc(F)ccc1F ZINC000617505199 469704407 /nfs/dbraw/zinc/70/44/07/469704407.db2.gz XSELKEWHQFCQHN-AWEZNQCLSA-N 1 3 341.446 2.286 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCc1cc(F)ccc1F ZINC000617505199 469704409 /nfs/dbraw/zinc/70/44/09/469704409.db2.gz XSELKEWHQFCQHN-AWEZNQCLSA-N 1 3 341.446 2.286 10 0 EEAEHO Cc1cccc2c(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c[nH]c21 ZINC000617505588 469704647 /nfs/dbraw/zinc/70/46/47/469704647.db2.gz IXUQRCNPHIVNGO-INIZCTEOSA-N 1 3 344.503 2.407 10 0 EEAEHO Cc1cccc2c(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c[nH]c21 ZINC000617505588 469704652 /nfs/dbraw/zinc/70/46/52/469704652.db2.gz IXUQRCNPHIVNGO-INIZCTEOSA-N 1 3 344.503 2.407 10 0 EEAEHO CCN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCN(C)C1 ZINC000617556592 469726675 /nfs/dbraw/zinc/72/66/75/469726675.db2.gz TUYPEEWHFOUVNR-LJQANCHMSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C[NH2+]1 ZINC000626993776 469781353 /nfs/dbraw/zinc/78/13/53/469781353.db2.gz MWUPNSZAYOTJDI-OGWHTMIXSA-N 1 3 344.503 2.337 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C[NH2+]1 ZINC000627017023 469791096 /nfs/dbraw/zinc/79/10/96/469791096.db2.gz YGEUPXXRZWOLJO-POAQFYNOSA-N 1 3 344.503 2.481 10 0 EEAEHO C[C@H]1CC[C@@H](NC(=O)N(CCCc2ccccc2)CCN(C)C)C[NH2+]1 ZINC000627195502 469840907 /nfs/dbraw/zinc/84/09/07/469840907.db2.gz LGCUVNKDYFNEKF-PKOBYXMFSA-N 1 3 346.519 2.333 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000627240126 469853535 /nfs/dbraw/zinc/85/35/35/469853535.db2.gz QRCYCAGZJDZNLV-RNIPGJKVSA-N 1 3 344.503 2.431 10 0 EEAEHO CN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000625486871 470153515 /nfs/dbraw/zinc/15/35/15/470153515.db2.gz JRBWDKOWIACQEP-CEXWTWQISA-N 1 3 327.472 2.027 10 0 EEAEHO CN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000625486871 470153518 /nfs/dbraw/zinc/15/35/18/470153518.db2.gz JRBWDKOWIACQEP-CEXWTWQISA-N 1 3 327.472 2.027 10 0 EEAEHO C[C@](O)(C[C@@H](O)CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634701359 470281536 /nfs/dbraw/zinc/28/15/36/470281536.db2.gz OOFYURASHREVLK-NRSPTQNISA-N 1 3 346.515 2.400 10 0 EEAEHO C[C@](O)(C[C@@H](O)CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000634701359 470281538 /nfs/dbraw/zinc/28/15/38/470281538.db2.gz OOFYURASHREVLK-NRSPTQNISA-N 1 3 346.515 2.400 10 0 EEAEHO C[NH2+]Cc1ccccc1CNCc1cc(OC)c2c(c1)OCCO2 ZINC000650718548 470949614 /nfs/dbraw/zinc/94/96/14/470949614.db2.gz QWFDDDGDSBJDSW-UHFFFAOYSA-N 1 3 328.412 2.476 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@H]3C3CCCC3)CC2)CC1 ZINC000651207325 471090130 /nfs/dbraw/zinc/09/01/30/471090130.db2.gz NXCYNFSNQAZGBM-RBUKOAKNSA-N 1 3 333.520 2.488 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653155410 471511387 /nfs/dbraw/zinc/51/13/87/471511387.db2.gz SBHVJJCXPRILKM-BPLDGKMQSA-N 1 3 343.393 2.021 10 0 EEAEHO CCCN1CCN(c2ccccc2CNC[C@@H]2CCCC[NH2+]2)CC1 ZINC000666770172 471530971 /nfs/dbraw/zinc/53/09/71/471530971.db2.gz OBQCEIHNLNRUKL-IBGZPJMESA-N 1 3 330.520 2.450 10 0 EEAEHO [NH3+]Cc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1 ZINC000659307975 471575427 /nfs/dbraw/zinc/57/54/27/471575427.db2.gz SDPMTQOQMWYEJJ-STQMWFEESA-N 1 3 332.322 2.068 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000659468668 471642875 /nfs/dbraw/zinc/64/28/75/471642875.db2.gz DCFAQXDFDYPUPT-CGTJXYLNSA-N 1 3 332.492 2.322 10 0 EEAEHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659482676 471649770 /nfs/dbraw/zinc/64/97/70/471649770.db2.gz QGXPJUPTTFBBJN-QPIRBTGLSA-N 1 3 344.503 2.276 10 0 EEAEHO CC[C@@H](C[NH+]1CCCC1)NC(=O)CCN1CCc2ccccc2C1 ZINC000667956325 471962988 /nfs/dbraw/zinc/96/29/88/471962988.db2.gz OBGWOVPCSAUNPL-IBGZPJMESA-N 1 3 329.488 2.425 10 0 EEAEHO O=C([C@H]1CCC[N@H+](Cc2cccc3c2CCNC3)C1)N1CCCC1 ZINC000662256659 472044864 /nfs/dbraw/zinc/04/48/64/472044864.db2.gz XRDOVWMRHQGMQP-SFHVURJKSA-N 1 3 327.472 2.167 10 0 EEAEHO O=C([C@H]1CCC[N@@H+](Cc2cccc3c2CCNC3)C1)N1CCCC1 ZINC000662256659 472044868 /nfs/dbraw/zinc/04/48/68/472044868.db2.gz XRDOVWMRHQGMQP-SFHVURJKSA-N 1 3 327.472 2.167 10 0 EEAEHO c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662337302 472076671 /nfs/dbraw/zinc/07/66/71/472076671.db2.gz LBPZLXDAKOSLHY-NXOAAHMSSA-N 1 3 329.492 2.045 10 0 EEAEHO c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662337302 472076677 /nfs/dbraw/zinc/07/66/77/472076677.db2.gz LBPZLXDAKOSLHY-NXOAAHMSSA-N 1 3 329.492 2.045 10 0 EEAEHO [NH3+]CCN(CCc1ccccc1)C(=O)c1cc2c(s1)CCNC2 ZINC000662563922 472155308 /nfs/dbraw/zinc/15/53/08/472155308.db2.gz SRXCBCWUSBNCCG-UHFFFAOYSA-N 1 3 329.469 2.037 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC(C)(C)CC(F)(F)F ZINC000665761936 472177672 /nfs/dbraw/zinc/17/76/72/472177672.db2.gz VIAIDZKRGNRWFZ-LBPRGKRZSA-N 1 3 340.434 2.289 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC(C)(C)CC(F)(F)F ZINC000665761936 472177676 /nfs/dbraw/zinc/17/76/76/472177676.db2.gz VIAIDZKRGNRWFZ-LBPRGKRZSA-N 1 3 340.434 2.289 10 0 EEAEHO CN1CCC(N2CC[C@@H]([NH2+]C3CC(OCc4ccccc4)C3)C2)CC1 ZINC000683815324 485649252 /nfs/dbraw/zinc/64/92/52/485649252.db2.gz BDACSOVOWIUVHF-LWEYNCJUSA-N 1 3 343.515 2.492 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)[C@H]1c1ccccc1 ZINC000677528256 486450657 /nfs/dbraw/zinc/45/06/57/486450657.db2.gz PBAKRKMUVSIYEM-CEXWTWQISA-N 1 3 342.487 2.215 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)[C@H]1c1ccccc1 ZINC000677528256 486450663 /nfs/dbraw/zinc/45/06/63/486450663.db2.gz PBAKRKMUVSIYEM-CEXWTWQISA-N 1 3 342.487 2.215 10 0 EEAEHO CC(C)C[C@H]([NH2+][C@@H]1CS[C@H](C(C)C)C1)C(=O)NCCN(C)C ZINC000488434149 535323418 /nfs/dbraw/zinc/32/34/18/535323418.db2.gz OTYMKIMXIYHMGR-JYJNAYRXSA-N 1 3 329.554 2.199 10 0 EEAEHO COC[C@@H](CCC[NH3+])NCc1c(C)nn(Cc2ccccc2)c1C ZINC000422781162 536596900 /nfs/dbraw/zinc/59/69/00/536596900.db2.gz DVPHNSRDAZLECV-GOSISDBHSA-N 1 3 330.476 2.392 10 0 EEAEHO CCC[NH+]1CCN(c2ccccc2CNCC2(C)OCCCO2)CC1 ZINC000752923440 577778337 /nfs/dbraw/zinc/77/83/37/577778337.db2.gz BQVUSLJBPXPFHV-UHFFFAOYSA-N 1 3 347.503 2.461 10 0 EEAEHO Cc1ccccc1[C@@H](O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000755235717 577822273 /nfs/dbraw/zinc/82/22/73/577822273.db2.gz JOHPZRPORBNGPI-FQEVSTJZSA-N 1 3 345.531 2.378 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC000898584708 693384830 /nfs/dbraw/zinc/38/48/30/693384830.db2.gz INHFRGUWOHWNCS-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC000898584708 693384834 /nfs/dbraw/zinc/38/48/34/693384834.db2.gz INHFRGUWOHWNCS-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(OC)c2C)C1)N(C)C ZINC001485703647 1191898504 /nfs/dbraw/zinc/89/85/04/1191898504.db2.gz YTZVWJMVXPAXTP-SZMVWBNQSA-N 1 3 347.503 2.328 10 0 EEAEHO CN(CCNCc1ccnc(Cl)c1)C(=O)CC[NH+]1CCCCC1 ZINC001267116675 1178278408 /nfs/dbraw/zinc/27/84/08/1178278408.db2.gz DVPWVIIKPXQSQS-UHFFFAOYSA-N 1 3 338.883 2.159 10 0 EEAEHO CC[C@@H](F)CNCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001691483845 1179048101 /nfs/dbraw/zinc/04/81/01/1179048101.db2.gz NREFXTXQAVJRBH-KURKYZTESA-N 1 3 335.467 2.128 10 0 EEAEHO CC[C@@H](F)CNCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001691483845 1179048107 /nfs/dbraw/zinc/04/81/07/1179048107.db2.gz NREFXTXQAVJRBH-KURKYZTESA-N 1 3 335.467 2.128 10 0 EEAEHO COCCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001267490074 1179162811 /nfs/dbraw/zinc/16/28/11/1179162811.db2.gz FOFJXFGSIWQSSQ-SJLPKXTDSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cc(C[N@H+]2CC[C@H](CNC(=O)CN3CC[C@@H](C)C3)C2)cs1 ZINC001481110703 1179761305 /nfs/dbraw/zinc/76/13/05/1179761305.db2.gz AUEVARLCOVXSEP-GDBMZVCRSA-N 1 3 335.517 2.336 10 0 EEAEHO Cc1cc(C[N@@H+]2CC[C@H](CNC(=O)CN3CC[C@@H](C)C3)C2)cs1 ZINC001481110703 1179761307 /nfs/dbraw/zinc/76/13/07/1179761307.db2.gz AUEVARLCOVXSEP-GDBMZVCRSA-N 1 3 335.517 2.336 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2ocnc2C)C1)N(C)C ZINC001267893110 1180704869 /nfs/dbraw/zinc/70/48/69/1180704869.db2.gz JAUZAOICPGBJMB-CVEARBPZSA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CCC2CCN(C(=O)[C@H]3CCCN3C)CC2)o1 ZINC001267911723 1180751635 /nfs/dbraw/zinc/75/16/35/1180751635.db2.gz ARXDJSGZTRXQRA-QGZVFWFLSA-N 1 3 348.491 2.104 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1cccs1)N(C)C ZINC001268114953 1181760020 /nfs/dbraw/zinc/76/00/20/1181760020.db2.gz VLFLAXRCUYTKQH-HOCLYGCPSA-N 1 3 325.522 2.313 10 0 EEAEHO Cc1cc(CNCC[C@@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)on1 ZINC001268161461 1181875536 /nfs/dbraw/zinc/87/55/36/1181875536.db2.gz BNQHOBAROQTHTH-SJORKVTESA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1cc(CNCC[C@@H]2CCCCN2C(=O)C[C@H]2CC[N@H+](C)C2)on1 ZINC001268161461 1181875541 /nfs/dbraw/zinc/87/55/41/1181875541.db2.gz BNQHOBAROQTHTH-SJORKVTESA-N 1 3 348.491 2.186 10 0 EEAEHO CCCCOCCN1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481745096 1182498524 /nfs/dbraw/zinc/49/85/24/1182498524.db2.gz RDDFHSQCKWUKJM-GOSISDBHSA-N 1 3 339.524 2.068 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCc2ccccc2F)C1 ZINC001270263180 1184967903 /nfs/dbraw/zinc/96/79/03/1184967903.db2.gz FTBFGWWYLVXYRX-SJLPKXTDSA-N 1 3 347.478 2.291 10 0 EEAEHO C[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C[NH2+]C/C=C\Cl ZINC001270517587 1185142558 /nfs/dbraw/zinc/14/25/58/1185142558.db2.gz RFEVPCJQYCEETE-TZDXQJPWSA-N 1 3 333.879 2.293 10 0 EEAEHO COc1ccccc1CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001482318678 1185333552 /nfs/dbraw/zinc/33/35/52/1185333552.db2.gz FTEMKOGNKSFLEV-SJLPKXTDSA-N 1 3 347.503 2.159 10 0 EEAEHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001482354909 1185493365 /nfs/dbraw/zinc/49/33/65/1185493365.db2.gz BAKYFKKFGOBPGW-OAHLLOKOSA-N 1 3 330.476 2.446 10 0 EEAEHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1c(C)nsc1C ZINC001482356956 1185501669 /nfs/dbraw/zinc/50/16/69/1185501669.db2.gz UNGQVFNWNFJNSN-GFCCVEGCSA-N 1 3 326.510 2.038 10 0 EEAEHO Cc1ncsc1CNCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001691516884 1185619661 /nfs/dbraw/zinc/61/96/61/1185619661.db2.gz UPFDYRWNSTUYKB-UHFFFAOYSA-N 1 3 346.500 2.375 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)C[C@@H](OC)C1CCC1 ZINC001482651637 1187487383 /nfs/dbraw/zinc/48/73/83/1187487383.db2.gz HKAGCMAQNOMEPT-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)C[C@@H](OC)C1CCC1 ZINC001482651637 1187487385 /nfs/dbraw/zinc/48/73/85/1187487385.db2.gz HKAGCMAQNOMEPT-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)s1 ZINC001482843523 1187763132 /nfs/dbraw/zinc/76/31/32/1187763132.db2.gz GQCRPPHTGRVCDC-WBMJQRKESA-N 1 3 340.537 2.331 10 0 EEAEHO CC[C@H](C(=O)NC/C=C\C[NH2+][C@H]1CCc2c1cccc2F)N(C)C ZINC001483022907 1188012554 /nfs/dbraw/zinc/01/25/54/1188012554.db2.gz LUULYNKAVWAUKB-FDICQLOXSA-N 1 3 333.451 2.415 10 0 EEAEHO Cc1nsc(C)c1CNCCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001691619684 1188320273 /nfs/dbraw/zinc/32/02/73/1188320273.db2.gz WLFRASOMDKAJNG-UHFFFAOYSA-N 1 3 338.521 2.184 10 0 EEAEHO Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001409473926 1189779996 /nfs/dbraw/zinc/77/99/96/1189779996.db2.gz OUGIACCVVWVAFI-LSDHHAIUSA-N 1 3 337.512 2.095 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CCc1c(F)cccc1F ZINC001409474575 1189791711 /nfs/dbraw/zinc/79/17/11/1189791711.db2.gz PSGWMRPNBHOEDX-UONOGXRCSA-N 1 3 341.446 2.330 10 0 EEAEHO Cc1csc(CNCCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001483487108 1190506911 /nfs/dbraw/zinc/50/69/11/1190506911.db2.gz LCBSEQYYGXSWOH-GJZGRUSLSA-N 1 3 338.521 2.120 10 0 EEAEHO Cc1csc(CNCCCN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC001483487108 1190506914 /nfs/dbraw/zinc/50/69/14/1190506914.db2.gz LCBSEQYYGXSWOH-GJZGRUSLSA-N 1 3 338.521 2.120 10 0 EEAEHO Cc1cccnc1CN[C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001486130364 1193689761 /nfs/dbraw/zinc/68/97/61/1193689761.db2.gz RBBZRZSHTHDLMW-DLBZAZTESA-N 1 3 332.492 2.201 10 0 EEAEHO COCC[N@H+](CCC(C)C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001483818115 1191046313 /nfs/dbraw/zinc/04/63/13/1191046313.db2.gz IAUAIMKKYXMFCV-SFHVURJKSA-N 1 3 339.524 2.066 10 0 EEAEHO COCC[N@@H+](CCC(C)C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001483818115 1191046314 /nfs/dbraw/zinc/04/63/14/1191046314.db2.gz IAUAIMKKYXMFCV-SFHVURJKSA-N 1 3 339.524 2.066 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CCCCCF)C3)C2)C1 ZINC001483847156 1191082326 /nfs/dbraw/zinc/08/23/26/1191082326.db2.gz FWSIHRNRRQYDRL-MJGOQNOKSA-N 1 3 339.499 2.392 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CCCCCF)C3)C2)C1 ZINC001483847156 1191082328 /nfs/dbraw/zinc/08/23/28/1191082328.db2.gz FWSIHRNRRQYDRL-MJGOQNOKSA-N 1 3 339.499 2.392 10 0 EEAEHO CC1CCN(CC(=O)N2CCC(C)([NH2+]C/C=C\Cl)CC2)CC1 ZINC001484925415 1191573071 /nfs/dbraw/zinc/57/30/71/1191573071.db2.gz JNGBDFYPCDFLDJ-BAQGIRSFSA-N 1 3 327.900 2.442 10 0 EEAEHO Cc1nn(C(C)C)cc1CN[C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001485189287 1191686032 /nfs/dbraw/zinc/68/60/32/1191686032.db2.gz KYEONLXGACFFOA-LSDHHAIUSA-N 1 3 349.523 2.097 10 0 EEAEHO Cc1nc(C)c(CNC2CC(N(C)C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC001486465580 1193980853 /nfs/dbraw/zinc/98/08/53/1193980853.db2.gz AGCYYNQXWKNCRE-CGZBRXJRSA-N 1 3 348.491 2.245 10 0 EEAEHO Cc1nc(C)c(CNC2CC(N(C)C(=O)CC[C@@H]3CCC[N@H+]3C)C2)o1 ZINC001486465580 1193980857 /nfs/dbraw/zinc/98/08/57/1193980857.db2.gz AGCYYNQXWKNCRE-CGZBRXJRSA-N 1 3 348.491 2.245 10 0 EEAEHO CC(C)C[C@H](N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702101657 1195726804 /nfs/dbraw/zinc/72/68/04/1195726804.db2.gz ZBQQMNOLYPCOBL-CMKODMSKSA-N 1 3 329.488 2.340 10 0 EEAEHO CC(C)C[C@H](N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702101657 1195726808 /nfs/dbraw/zinc/72/68/08/1195726808.db2.gz ZBQQMNOLYPCOBL-CMKODMSKSA-N 1 3 329.488 2.340 10 0 EEAEHO CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21)N(C)C ZINC001410115041 1197554509 /nfs/dbraw/zinc/55/45/09/1197554509.db2.gz HSJDYNKSODESDP-OKYOBFRVSA-N 1 3 335.536 2.447 10 0 EEAEHO CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21)N(C)C ZINC001410115041 1197554511 /nfs/dbraw/zinc/55/45/11/1197554511.db2.gz HSJDYNKSODESDP-OKYOBFRVSA-N 1 3 335.536 2.447 10 0 EEAEHO Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001410503844 1198058221 /nfs/dbraw/zinc/05/82/21/1198058221.db2.gz JKSCRTPWHLZFOD-HNNXBMFYSA-N 1 3 337.512 2.049 10 0 EEAEHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2cc3ccccc3s2)C1 ZINC000872254730 1198113881 /nfs/dbraw/zinc/11/38/81/1198113881.db2.gz CIEUVTHCDNLHOM-CWRNSKLLSA-N 1 3 343.452 2.268 10 0 EEAEHO CC(C)c1ccc(CCN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872257747 1198115620 /nfs/dbraw/zinc/11/56/20/1198115620.db2.gz VUDAGZXDQGLHLO-OTWHNJEPSA-N 1 3 343.471 2.219 10 0 EEAEHO C[NH+]1CCC(CNCc2cnc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC000865450449 1198225093 /nfs/dbraw/zinc/22/50/93/1198225093.db2.gz PJARYNKOXZFCMV-UHFFFAOYSA-N 1 3 335.452 2.255 10 0 EEAEHO COc1ccc(C)cc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001410872712 1198525566 /nfs/dbraw/zinc/52/55/66/1198525566.db2.gz XQAHDSUXJUQJGD-FUHWJXTLSA-N 1 3 347.503 2.423 10 0 EEAEHO Cc1ccc(CN2CC[C@]3(NC(=O)CC[NH+](C)C)CCC[C@@H]23)c(C)n1 ZINC001410884229 1198532175 /nfs/dbraw/zinc/53/21/75/1198532175.db2.gz AVOSBBLBVKBKEQ-UYAOXDASSA-N 1 3 344.503 2.263 10 0 EEAEHO Cc1ccc(CN2CC[C@]3(NC(=O)CC[NH+](C)C)CCC[C@H]23)c(C)n1 ZINC001410884160 1198532454 /nfs/dbraw/zinc/53/24/54/1198532454.db2.gz AVOSBBLBVKBKEQ-AZUAARDMSA-N 1 3 344.503 2.263 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1N(Cc1cncc(C)c1)CC2 ZINC001410890307 1198545029 /nfs/dbraw/zinc/54/50/29/1198545029.db2.gz BLEABPMPLPRNDO-UYAOXDASSA-N 1 3 344.503 2.345 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@@]12CCC[C@H]1N(Cc1cncc(C)c1)CC2 ZINC001410890307 1198545037 /nfs/dbraw/zinc/54/50/37/1198545037.db2.gz BLEABPMPLPRNDO-UYAOXDASSA-N 1 3 344.503 2.345 10 0 EEAEHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810711086 1199689775 /nfs/dbraw/zinc/68/97/75/1199689775.db2.gz ZRHROWFOXRSZAR-RDTXWAMCSA-N 1 3 327.488 2.436 10 0 EEAEHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810711086 1199689777 /nfs/dbraw/zinc/68/97/77/1199689777.db2.gz ZRHROWFOXRSZAR-RDTXWAMCSA-N 1 3 327.488 2.436 10 0 EEAEHO COc1cnc(F)c(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000877059119 1199856269 /nfs/dbraw/zinc/85/62/69/1199856269.db2.gz JRNZRNTUWIUQKE-ZIAGYGMSSA-N 1 3 325.428 2.208 10 0 EEAEHO CC(C)N1CCC([NH2+]Cc2ccc(CN3CCNC3=O)cc2)CC1 ZINC000866574149 1201551019 /nfs/dbraw/zinc/55/10/19/1201551019.db2.gz PXCADORYFACQCW-UHFFFAOYSA-N 1 3 330.476 2.174 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001274608238 1205096013 /nfs/dbraw/zinc/09/60/13/1205096013.db2.gz DUGBJVHWTAAXAK-PXPVJAHISA-N 1 3 344.503 2.272 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)CCN1C ZINC000925340021 1206099483 /nfs/dbraw/zinc/09/94/83/1206099483.db2.gz AWRMUDRYINQMBX-NZSAHSFTSA-N 1 3 344.503 2.037 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)CCN1C ZINC000925340021 1206099486 /nfs/dbraw/zinc/09/94/86/1206099486.db2.gz AWRMUDRYINQMBX-NZSAHSFTSA-N 1 3 344.503 2.037 10 0 EEAEHO COc1cccc(C(=O)NCCN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925509252 1206121226 /nfs/dbraw/zinc/12/12/26/1206121226.db2.gz VXMRLNMZNIENDY-RTBURBONSA-N 1 3 345.487 2.183 10 0 EEAEHO CC1(C)[C@H](NCC[C@@H](O)COCc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925720241 1206146154 /nfs/dbraw/zinc/14/61/54/1206146154.db2.gz XDPCCSCKTKRDHW-AKHDSKFASA-N 1 3 332.488 2.320 10 0 EEAEHO CC1(C)[C@H]([NH2+]CC[C@@H](O)COCc2ccccc2)[C@@H]2CCCN[C@@H]21 ZINC000925720241 1206146155 /nfs/dbraw/zinc/14/61/55/1206146155.db2.gz XDPCCSCKTKRDHW-AKHDSKFASA-N 1 3 332.488 2.320 10 0 EEAEHO Cc1ccc2c(c1)OCCC[C@H]2NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855215 1206161189 /nfs/dbraw/zinc/16/11/89/1206161189.db2.gz TUMSPVCYTCIZGE-NVXWUHKLSA-N 1 3 344.455 2.484 10 0 EEAEHO CC(C)[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cn1 ZINC000925854342 1206161256 /nfs/dbraw/zinc/16/12/56/1206161256.db2.gz IVIBOSKQJANLCV-ZBFHGGJFSA-N 1 3 335.423 2.193 10 0 EEAEHO CCc1nc2c(s1)[C@@H](NC[C@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCC2 ZINC000925854368 1206161358 /nfs/dbraw/zinc/16/13/58/1206161358.db2.gz RKMOKNIDDSEBQR-OLZOCXBDSA-N 1 3 349.500 2.358 10 0 EEAEHO CN1CCN(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CC1(C)C ZINC000926358492 1206215592 /nfs/dbraw/zinc/21/55/92/1206215592.db2.gz ZRLDGXVBOCUCOQ-MJGOQNOKSA-N 1 3 330.520 2.408 10 0 EEAEHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@H](O)c1ccccc1Br ZINC000926556015 1206227271 /nfs/dbraw/zinc/22/72/71/1206227271.db2.gz PZZLOWANEYVFAU-YPPUGPRSSA-N 1 3 339.277 2.412 10 0 EEAEHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@H](O)c1ccccc1Br ZINC000926556015 1206227273 /nfs/dbraw/zinc/22/72/73/1206227273.db2.gz PZZLOWANEYVFAU-YPPUGPRSSA-N 1 3 339.277 2.412 10 0 EEAEHO C[C@H]1C[N@H+](CCSc2ccncc2)CC[C@H]1N1CCN(C)CC1 ZINC000930135902 1206536791 /nfs/dbraw/zinc/53/67/91/1206536791.db2.gz HNAFWPBRVRTXPQ-FUHWJXTLSA-N 1 3 334.533 2.132 10 0 EEAEHO C[C@H]1C[N@@H+](CCSc2ccncc2)CC[C@H]1N1CCN(C)CC1 ZINC000930135902 1206536792 /nfs/dbraw/zinc/53/67/92/1206536792.db2.gz HNAFWPBRVRTXPQ-FUHWJXTLSA-N 1 3 334.533 2.132 10 0 EEAEHO COc1ccc(NC(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)cc1Cl ZINC000903495297 1240665787 /nfs/dbraw/zinc/66/57/87/1240665787.db2.gz ZCXXFUHAZIVOPN-VXGBXAGGSA-N 1 3 325.840 2.204 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H]1CC[NH3+] ZINC000903500214 1240688372 /nfs/dbraw/zinc/68/83/72/1240688372.db2.gz WPAWFXDJGQIXJU-VXGBXAGGSA-N 1 3 326.400 2.498 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H]1CC[NH3+] ZINC000903500214 1240688379 /nfs/dbraw/zinc/68/83/79/1240688379.db2.gz WPAWFXDJGQIXJU-VXGBXAGGSA-N 1 3 326.400 2.498 10 0 EEAEHO C[C@@]1([C@@H]2CCC[N@H+](Cc3cc4c(s3)CCNC4)C2)COC(=O)N1 ZINC000903986439 1242879000 /nfs/dbraw/zinc/87/90/00/1242879000.db2.gz JQZSELOOPMERDU-DYVFJYSZSA-N 1 3 335.473 2.104 10 0 EEAEHO C[C@@]1([C@@H]2CCC[N@@H+](Cc3cc4c(s3)CCNC4)C2)COC(=O)N1 ZINC000903986439 1242879009 /nfs/dbraw/zinc/87/90/09/1242879009.db2.gz JQZSELOOPMERDU-DYVFJYSZSA-N 1 3 335.473 2.104 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001491073847 1258648469 /nfs/dbraw/zinc/64/84/69/1258648469.db2.gz WARREAOCCJMCKY-OKILXGFUSA-N 1 3 325.403 2.043 10 0 EEAEHO Cc1cccc(F)c1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000853792883 1292455817 /nfs/dbraw/zinc/45/58/17/1292455817.db2.gz HJNNSBBZIFODSL-HNNXBMFYSA-N 1 3 338.471 2.205 10 0 EEAEHO Cc1cccc(F)c1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000853792883 1292455827 /nfs/dbraw/zinc/45/58/27/1292455827.db2.gz HJNNSBBZIFODSL-HNNXBMFYSA-N 1 3 338.471 2.205 10 0 EEAEHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCc3cn[nH]c3)C2)ccn1 ZINC000856604697 1293580705 /nfs/dbraw/zinc/58/07/05/1293580705.db2.gz PQRLKFWBGWWCPJ-LJQANCHMSA-N 1 3 343.475 2.341 10 0 EEAEHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCc3cn[nH]c3)C2)ccn1 ZINC000856604697 1293580707 /nfs/dbraw/zinc/58/07/07/1293580707.db2.gz PQRLKFWBGWWCPJ-LJQANCHMSA-N 1 3 343.475 2.341 10 0 EEAEHO COC(=O)C1=CC[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000863542897 1296327242 /nfs/dbraw/zinc/32/72/42/1296327242.db2.gz UGDHXGTVCAQCAV-GMBSWORKSA-N 1 3 328.412 2.094 10 0 EEAEHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCOc1ccccc1)N(C)C ZINC001277874529 1305004139 /nfs/dbraw/zinc/00/41/39/1305004139.db2.gz PUUODEHBSXAOOD-MJGOQNOKSA-N 1 3 347.503 2.232 10 0 EEAEHO C[C@@H](NCc1nccs1)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001279038054 1319059860 /nfs/dbraw/zinc/05/98/60/1319059860.db2.gz DNBJVNISDWJLFG-CABCVRRESA-N 1 3 338.521 2.202 10 0 EEAEHO Cc1ccc(C[N@@H+](CCCNC(=O)[C@H]2CCCN2C)C2CC2)c(C)n1 ZINC001265171842 1322964892 /nfs/dbraw/zinc/96/48/92/1322964892.db2.gz YRWAMCVTDRUXDK-LJQANCHMSA-N 1 3 344.503 2.263 10 0 EEAEHO Cc1ccc(C[N@H+](CCCNC(=O)[C@H]2CCCN2C)C2CC2)c(C)n1 ZINC001265171842 1322964894 /nfs/dbraw/zinc/96/48/94/1322964894.db2.gz YRWAMCVTDRUXDK-LJQANCHMSA-N 1 3 344.503 2.263 10 0 EEAEHO CCOCCCN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001265294931 1323044783 /nfs/dbraw/zinc/04/47/83/1323044783.db2.gz MLRPNMOYFYOCDK-QGZVFWFLSA-N 1 3 339.524 2.116 10 0 EEAEHO COCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001281098080 1324760670 /nfs/dbraw/zinc/76/06/70/1324760670.db2.gz AZNYCFWJDMATJM-IBGZPJMESA-N 1 3 339.524 2.068 10 0 EEAEHO COCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001281098080 1324760671 /nfs/dbraw/zinc/76/06/71/1324760671.db2.gz AZNYCFWJDMATJM-IBGZPJMESA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1ccc(CC[NH2+]CC2CC(NC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001282058585 1325603039 /nfs/dbraw/zinc/60/30/39/1325603039.db2.gz PVZGHWRMECTTCJ-KKXNLOMOSA-N 1 3 343.515 2.364 10 0 EEAEHO COCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001282462549 1325727097 /nfs/dbraw/zinc/72/70/97/1325727097.db2.gz WAOPEXZMBFSFKS-MAUKXSAKSA-N 1 3 345.503 2.062 10 0 EEAEHO COCCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001282462549 1325727099 /nfs/dbraw/zinc/72/70/99/1325727099.db2.gz WAOPEXZMBFSFKS-MAUKXSAKSA-N 1 3 345.503 2.062 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N(C)CCNCc2ccc(Cl)nc2)CC[N@@H+]1C ZINC001317622454 1332332609 /nfs/dbraw/zinc/33/26/09/1332332609.db2.gz LOFVULNSRMBBRR-ZFWWWQNUSA-N 1 3 338.883 2.013 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N(C)CCNCc2ccc(Cl)nc2)CC[N@H+]1C ZINC001317622454 1332332611 /nfs/dbraw/zinc/33/26/11/1332332611.db2.gz LOFVULNSRMBBRR-ZFWWWQNUSA-N 1 3 338.883 2.013 10 0 EEAEHO C[C@H](CNCc1ccc(Cl)nc1)N(C)C(=O)CCC[NH+](C)C ZINC001319524414 1332715960 /nfs/dbraw/zinc/71/59/60/1332715960.db2.gz VPTKWDJHTBMPBD-CYBMUJFWSA-N 1 3 326.872 2.013 10 0 EEAEHO CCN(CC[NH2+]Cc1cccc(OC)c1)C(=O)CN1CCC(C)CC1 ZINC001320876287 1332969772 /nfs/dbraw/zinc/96/97/72/1332969772.db2.gz LIJOLJQGKGHMPX-UHFFFAOYSA-N 1 3 347.503 2.365 10 0 EEAEHO CCc1ccccc1CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCN1C ZINC001320999262 1332994420 /nfs/dbraw/zinc/99/44/20/1332994420.db2.gz UCGABWMARYYHPR-RURPWVQCSA-N 1 3 329.488 2.148 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001321282177 1333063866 /nfs/dbraw/zinc/06/38/66/1333063866.db2.gz VQTWCAHKFJHAAF-VOFKWLDRSA-N 1 3 344.503 2.415 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001321282177 1333063867 /nfs/dbraw/zinc/06/38/67/1333063867.db2.gz VQTWCAHKFJHAAF-VOFKWLDRSA-N 1 3 344.503 2.415 10 0 EEAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1ccnc(Cl)c1 ZINC001321842107 1333165995 /nfs/dbraw/zinc/16/59/95/1333165995.db2.gz LKKJUDVWBDSBCB-ZFWWWQNUSA-N 1 3 338.883 2.202 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1ccnc(Cl)c1 ZINC001321842107 1333165998 /nfs/dbraw/zinc/16/59/98/1333165998.db2.gz LKKJUDVWBDSBCB-ZFWWWQNUSA-N 1 3 338.883 2.202 10 0 EEAEHO COCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCN1C ZINC001323650792 1333509452 /nfs/dbraw/zinc/50/94/52/1333509452.db2.gz YYKAVFXALLHGGW-HQSKLWIPSA-N 1 3 337.508 2.009 10 0 EEAEHO CC[C@@H](F)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCN1C ZINC001325690153 1333941070 /nfs/dbraw/zinc/94/10/70/1333941070.db2.gz RUFXEJNWZAHXIU-QZTJIDSGSA-N 1 3 335.467 2.447 10 0 EEAEHO CC/C=C/CC[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001327033559 1334207569 /nfs/dbraw/zinc/20/75/69/1334207569.db2.gz CPHDHZUWPMSMDY-OZSKJFCKSA-N 1 3 339.524 2.138 10 0 EEAEHO CCCCC[NH2+]C[C@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CCO1 ZINC001327034617 1334208203 /nfs/dbraw/zinc/20/82/03/1334208203.db2.gz MIMKANGWYVWCRX-ROUUACIJSA-N 1 3 339.524 2.258 10 0 EEAEHO CCC1([NH2+]CCCOC(C)C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001327438875 1334293318 /nfs/dbraw/zinc/29/33/18/1334293318.db2.gz ZDBILVSSZDXYQW-QGZVFWFLSA-N 1 3 339.524 2.257 10 0 EEAEHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCCCc1ccccc1 ZINC001327923237 1334364266 /nfs/dbraw/zinc/36/42/66/1334364266.db2.gz IWTINCLTHJQEKN-QFBILLFUSA-N 1 3 340.471 2.412 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)NCc1ccc(Cl)nc1)[NH+](C)C ZINC001331614388 1335045608 /nfs/dbraw/zinc/04/56/08/1335045608.db2.gz XACMXACFPKQSLH-BBRMVZONSA-N 1 3 340.899 2.258 10 0 EEAEHO [NH2+]=C(NCc1cccnc1F)NC1CCN(Cc2ccccc2)CC1 ZINC000849095987 1338838590 /nfs/dbraw/zinc/83/85/90/1338838590.db2.gz VZRNFQTWCNMBHO-UHFFFAOYSA-N 1 3 341.434 2.499 10 0 EEAEHO COCCCC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001500293725 1342140829 /nfs/dbraw/zinc/14/08/29/1342140829.db2.gz ZQSWLIAKOQZGHP-HXUWFJFHSA-N 1 3 347.503 2.369 10 0 EEAEHO COCCCC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001500293725 1342140831 /nfs/dbraw/zinc/14/08/31/1342140831.db2.gz ZQSWLIAKOQZGHP-HXUWFJFHSA-N 1 3 347.503 2.369 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001674146350 1356798395 /nfs/dbraw/zinc/79/83/95/1356798395.db2.gz DDWQROPNKOMHIU-DLBZAZTESA-N 1 3 341.540 2.360 10 0 EEAEHO CCOCCC[N@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001674146350 1356798401 /nfs/dbraw/zinc/79/84/01/1356798401.db2.gz DDWQROPNKOMHIU-DLBZAZTESA-N 1 3 341.540 2.360 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@H]1C[C@H](NCc2cccc(F)c2F)C1 ZINC001566811695 1342632962 /nfs/dbraw/zinc/63/29/62/1342632962.db2.gz XDMOMEZMCDMLMM-SHTZXODSSA-N 1 3 339.430 2.434 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CCNCc2ocnc2C)C1 ZINC001569985228 1342988996 /nfs/dbraw/zinc/98/89/96/1342988996.db2.gz NUYYRCWDWITPET-DLBZAZTESA-N 1 3 348.491 2.186 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CCNCc2ocnc2C)C1 ZINC001569985228 1342988998 /nfs/dbraw/zinc/98/89/98/1342988998.db2.gz NUYYRCWDWITPET-DLBZAZTESA-N 1 3 348.491 2.186 10 0 EEAEHO COc1ccc(CN2CC=C(CNC(=O)CC[NH+](C)C)CC2)cc1C ZINC001571693521 1343275978 /nfs/dbraw/zinc/27/59/78/1343275978.db2.gz BGKNYDMVHFWRHB-UHFFFAOYSA-N 1 3 345.487 2.204 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cncs1 ZINC001649469457 1353522827 /nfs/dbraw/zinc/52/28/27/1353522827.db2.gz GOLRIKPULIUCTN-GDBMZVCRSA-N 1 3 338.521 2.392 10 0 EEAEHO CN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1cc(F)cc(F)c1 ZINC001660368065 1354449953 /nfs/dbraw/zinc/44/99/53/1354449953.db2.gz CTICEVRPMVAUJE-AWEZNQCLSA-N 1 3 339.430 2.245 10 0 EEAEHO CN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1cc(F)cc(F)c1 ZINC001660368065 1354449957 /nfs/dbraw/zinc/44/99/57/1354449957.db2.gz CTICEVRPMVAUJE-AWEZNQCLSA-N 1 3 339.430 2.245 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](CC)C[C@H]1CCCCO1 ZINC001660632671 1354505637 /nfs/dbraw/zinc/50/56/37/1354505637.db2.gz UODUPJHURONMNO-MSOLQXFVSA-N 1 3 339.524 2.258 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](CC)C[C@H]1CCCCO1 ZINC001660632671 1354505638 /nfs/dbraw/zinc/50/56/38/1354505638.db2.gz UODUPJHURONMNO-MSOLQXFVSA-N 1 3 339.524 2.258 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCOCC1 ZINC001663119541 1354921128 /nfs/dbraw/zinc/92/11/28/1354921128.db2.gz KGPIPDVUQSKSGU-KRWDZBQOSA-N 1 3 348.491 2.048 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[C@H]1CCC[N@H+]1CC1CCOCC1 ZINC001663119541 1354921130 /nfs/dbraw/zinc/92/11/30/1354921130.db2.gz KGPIPDVUQSKSGU-KRWDZBQOSA-N 1 3 348.491 2.048 10 0 EEAEHO CN(CC(=O)NCC[N@H+](C)CC[C@@H]1CC1(Cl)Cl)C1CCC1 ZINC001663196616 1354933685 /nfs/dbraw/zinc/93/36/85/1354933685.db2.gz CYROXIZPGKSSAW-GFCCVEGCSA-N 1 3 336.307 2.103 10 0 EEAEHO CN(CC(=O)NCC[N@@H+](C)CC[C@@H]1CC1(Cl)Cl)C1CCC1 ZINC001663196616 1354933688 /nfs/dbraw/zinc/93/36/88/1354933688.db2.gz CYROXIZPGKSSAW-GFCCVEGCSA-N 1 3 336.307 2.103 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCN(CCCOCC)C2)C1 ZINC001665013110 1355264605 /nfs/dbraw/zinc/26/46/05/1355264605.db2.gz IVHAJPCOJNRRTL-ZWKOTPCHSA-N 1 3 339.524 2.116 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCN(CCCOCC)C2)C1 ZINC001665013110 1355264609 /nfs/dbraw/zinc/26/46/09/1355264609.db2.gz IVHAJPCOJNRRTL-ZWKOTPCHSA-N 1 3 339.524 2.116 10 0 EEAEHO CC[C@H](C[NH2+]CC[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)OC ZINC001666115260 1355456213 /nfs/dbraw/zinc/45/62/13/1355456213.db2.gz LHMQVWAGEJFLEH-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO CCN(CC[NH2+]Cc1scnc1C)C(=O)[C@H]1CCCCN1CC ZINC001668651894 1355979254 /nfs/dbraw/zinc/97/92/54/1355979254.db2.gz ASQIYHHYKVMOKV-OAHLLOKOSA-N 1 3 338.521 2.264 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC/C=C/C[NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001669038905 1356074353 /nfs/dbraw/zinc/07/43/53/1356074353.db2.gz GWJVHYVGNTYXNY-VNHAASDWSA-N 1 3 343.462 2.416 10 0 EEAEHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC/C=C\CNCCC(F)(F)F)C1 ZINC001669140429 1356105616 /nfs/dbraw/zinc/10/56/16/1356105616.db2.gz ZHCZBKNWFWNTTL-KBIGUFJUSA-N 1 3 335.414 2.321 10 0 EEAEHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CCc1ccccc1 ZINC001672285918 1356494044 /nfs/dbraw/zinc/49/40/44/1356494044.db2.gz BYYOGVQDNCYMKP-HKUYNNGSSA-N 1 3 343.515 2.398 10 0 EEAEHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]C/C=C\Cl ZINC001672320331 1356500656 /nfs/dbraw/zinc/50/06/56/1356500656.db2.gz HIVNYPPKBRPWIU-RDLIDLCESA-N 1 3 327.900 2.155 10 0 EEAEHO CCc1nocc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001672816915 1356591735 /nfs/dbraw/zinc/59/17/35/1356591735.db2.gz ZCIIERZWIZTICZ-QAPCUYQASA-N 1 3 348.491 2.050 10 0 EEAEHO C[C@@]1(NC(=O)c2ccc(Nc3ccncc3)cc2)C[NH+]2CCC1CC2 ZINC000912380449 788133537 /nfs/dbraw/zinc/13/35/37/788133537.db2.gz SIGBSSZYIZFZSW-HXUWFJFHSA-N 1 3 336.439 2.461 10 0 EEAEHO C[NH+](C)[C@H]1C[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)C12CCC2 ZINC000912603163 788261643 /nfs/dbraw/zinc/26/16/43/788261643.db2.gz YEDCMYNSEQMTGM-IRXDYDNUSA-N 1 3 349.519 2.011 10 0 EEAEHO COc1ccc([C@H](NC(=O)CN2CC[C@@H](C[NH3+])[C@@H](C)C2)C(C)C)cc1 ZINC000923501613 789686178 /nfs/dbraw/zinc/68/61/78/789686178.db2.gz UJACSKCVNSNZCA-RIFZZMRRSA-N 1 3 347.503 2.425 10 0 EEAEHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715495825 795406866 /nfs/dbraw/zinc/40/68/66/795406866.db2.gz OKVWTRIRIPUQFO-QWFCFKBJSA-N 1 3 327.472 2.157 10 0 EEAEHO CC(C)C(=O)NCCN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716676800 796406019 /nfs/dbraw/zinc/40/60/19/796406019.db2.gz CWNJCVCQWNTNLA-FHWLQOOXSA-N 1 3 329.488 2.401 10 0 EEAEHO CC(C)C(=O)NCCN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716676800 796406020 /nfs/dbraw/zinc/40/60/20/796406020.db2.gz CWNJCVCQWNTNLA-FHWLQOOXSA-N 1 3 329.488 2.401 10 0 EEAEHO CC(C)C(=O)NCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716676800 796406022 /nfs/dbraw/zinc/40/60/22/796406022.db2.gz CWNJCVCQWNTNLA-FHWLQOOXSA-N 1 3 329.488 2.401 10 0 EEAEHO Brc1cnn(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000922801124 801947014 /nfs/dbraw/zinc/94/70/14/801947014.db2.gz CRZOCOOLXJARLV-UONOGXRCSA-N 1 3 339.281 2.351 10 0 EEAEHO Brc1cnn(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000922801124 801947015 /nfs/dbraw/zinc/94/70/15/801947015.db2.gz CRZOCOOLXJARLV-UONOGXRCSA-N 1 3 339.281 2.351 10 0 EEAEHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@@H]1CCCO1)N(C)C ZINC001436500381 1088025437 /nfs/dbraw/zinc/02/54/37/1088025437.db2.gz PSXIOPUFSAQZQD-OKZBNKHCSA-N 1 3 339.524 2.209 10 0 EEAEHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC[C@@H]1CCCO1)N(C)C ZINC001436500381 1088025455 /nfs/dbraw/zinc/02/54/55/1088025455.db2.gz PSXIOPUFSAQZQD-OKZBNKHCSA-N 1 3 339.524 2.209 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1CCOCC1 ZINC001436663784 1088093331 /nfs/dbraw/zinc/09/33/31/1088093331.db2.gz HJZGFYGLNPESHG-FUHWJXTLSA-N 1 3 339.524 2.112 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCc2c(C)noc2C)C2CC2)CC[N@@H+]1C ZINC001436794707 1088363604 /nfs/dbraw/zinc/36/36/04/1088363604.db2.gz XWLPNOYLVUCTNB-RYQLBKOJSA-N 1 3 348.491 2.006 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCc2c(C)noc2C)C2CC2)CC[N@H+]1C ZINC001436794707 1088363612 /nfs/dbraw/zinc/36/36/12/1088363612.db2.gz XWLPNOYLVUCTNB-RYQLBKOJSA-N 1 3 348.491 2.006 10 0 EEAEHO O=C(NCCN(C/C=C\c1ccccc1)C1CC1)C12CC[NH+](CC1)C2 ZINC001437818575 1090412523 /nfs/dbraw/zinc/41/25/23/1090412523.db2.gz VQYMNDLNZNVBOL-DAXSKMNVSA-N 1 3 339.483 2.376 10 0 EEAEHO CC(C)[C@H](C(=O)N1CC[C@H](CN(C)CCF)C1)[NH+]1CCCCC1 ZINC001437994340 1090594062 /nfs/dbraw/zinc/59/40/62/1090594062.db2.gz WHDYCOWZEICZGK-IAGOWNOFSA-N 1 3 327.488 2.247 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NCC2CN(Cc3ccccc3C3CC3)C2)C1 ZINC001438160293 1090674053 /nfs/dbraw/zinc/67/40/53/1090674053.db2.gz ORFMTIGTLDRFNS-MRXNPFEDSA-N 1 3 341.499 2.454 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NCC2CN(Cc3ccccc3C3CC3)C2)C1 ZINC001438160293 1090674058 /nfs/dbraw/zinc/67/40/58/1090674058.db2.gz ORFMTIGTLDRFNS-MRXNPFEDSA-N 1 3 341.499 2.454 10 0 EEAEHO CC[C@H](C(=O)NCC1([NH2+]Cc2cc(C)ns2)CCCC1)N(C)C ZINC001438594837 1091083821 /nfs/dbraw/zinc/08/38/21/1091083821.db2.gz BPKFPFDNCWBRCA-OAHLLOKOSA-N 1 3 338.521 2.310 10 0 EEAEHO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C)cc1F ZINC001438718543 1091242471 /nfs/dbraw/zinc/24/24/71/1091242471.db2.gz YOEMOVTVBLVDAQ-AWEZNQCLSA-N 1 3 339.455 2.111 10 0 EEAEHO Cc1cc(F)ccc1CN(C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445762269 1091611128 /nfs/dbraw/zinc/61/11/28/1091611128.db2.gz XIVHBZLOVWUPIR-KXBFYZLASA-N 1 3 347.478 2.412 10 0 EEAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H](CNCc1cncc(F)c1)C1CC1 ZINC001445954472 1091899367 /nfs/dbraw/zinc/89/93/67/1091899367.db2.gz CFSNYZSGFPYDQD-QZTJIDSGSA-N 1 3 348.466 2.080 10 0 EEAEHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H](CNCc1cncc(F)c1)C1CC1 ZINC001445954472 1091899382 /nfs/dbraw/zinc/89/93/82/1091899382.db2.gz CFSNYZSGFPYDQD-QZTJIDSGSA-N 1 3 348.466 2.080 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cn(C(C)C)nc1C ZINC001439284452 1091945508 /nfs/dbraw/zinc/94/55/08/1091945508.db2.gz JIJIRLRCLBGYKS-MAUKXSAKSA-N 1 3 349.523 2.241 10 0 EEAEHO Cc1cc(F)ccc1CNC1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001446167049 1092220804 /nfs/dbraw/zinc/22/08/04/1092220804.db2.gz KIPHHURVVRBPSV-SFHVURJKSA-N 1 3 345.462 2.214 10 0 EEAEHO Cc1ncccc1CNC1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001446180456 1092249215 /nfs/dbraw/zinc/24/92/15/1092249215.db2.gz FBGFVJKRACGBQQ-QGZVFWFLSA-N 1 3 330.476 2.003 10 0 EEAEHO Cc1ncccc1CNC1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001446180456 1092249225 /nfs/dbraw/zinc/24/92/25/1092249225.db2.gz FBGFVJKRACGBQQ-QGZVFWFLSA-N 1 3 330.476 2.003 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001439536419 1092396339 /nfs/dbraw/zinc/39/63/39/1092396339.db2.gz IODPGJBMWBIMRN-HOTGVXAUSA-N 1 3 327.488 2.293 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001439536419 1092396344 /nfs/dbraw/zinc/39/63/44/1092396344.db2.gz IODPGJBMWBIMRN-HOTGVXAUSA-N 1 3 327.488 2.293 10 0 EEAEHO Cc1cc(CN2CC[C@H]([C@@H]3CCCCN3C(=O)CC[NH+](C)C)C2)on1 ZINC001446300982 1092469521 /nfs/dbraw/zinc/46/95/21/1092469521.db2.gz ZUWSUPOPHBDSFU-WMZOPIPTSA-N 1 3 348.491 2.138 10 0 EEAEHO CC(C)N(C)CC(=O)NC1(C)CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001439806262 1092765302 /nfs/dbraw/zinc/76/53/02/1092765302.db2.gz XMOUKKYHIGSZHY-KRWDZBQOSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1nocc1CN1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001439829697 1092822026 /nfs/dbraw/zinc/82/20/26/1092822026.db2.gz NSELLKQHEJUFLE-IBGZPJMESA-N 1 3 348.491 2.139 10 0 EEAEHO C[C@H]([NH2+]CCc1ccccc1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001440116687 1093177809 /nfs/dbraw/zinc/17/78/09/1093177809.db2.gz GMSOZOHBARBGSE-HKUYNNGSSA-N 1 3 329.488 2.152 10 0 EEAEHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[C@@H](NCc2ccc(F)cn2)C1 ZINC001440313422 1093445169 /nfs/dbraw/zinc/44/51/69/1093445169.db2.gz LCHNTHJCJLGLOJ-VKNSLKGXSA-N 1 3 348.466 2.078 10 0 EEAEHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]1C[C@@H](NCc2ccc(F)cn2)C1 ZINC001440313422 1093445171 /nfs/dbraw/zinc/44/51/71/1093445171.db2.gz LCHNTHJCJLGLOJ-VKNSLKGXSA-N 1 3 348.466 2.078 10 0 EEAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CCC(F)(F)F)CCC1 ZINC001440357388 1093513445 /nfs/dbraw/zinc/51/34/45/1093513445.db2.gz SEUCSYFCIHLYQS-CHWSQXEVSA-N 1 3 335.414 2.440 10 0 EEAEHO C[C@@H](NC[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)c1c(F)cccc1F ZINC001448510071 1093535959 /nfs/dbraw/zinc/53/59/59/1093535959.db2.gz LRAWKLNWDWEJDO-MGPQQGTHSA-N 1 3 339.430 2.462 10 0 EEAEHO C[C@@H](N[C@@H](C)CN(C)C(=O)CC[NH+](C)C)c1ccc(F)c(F)c1 ZINC001448716347 1093788922 /nfs/dbraw/zinc/78/89/22/1093788922.db2.gz JSVULMDJUAWDKT-QWHCGFSZSA-N 1 3 327.419 2.414 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2Cc3ccccc3CN2CC2CC2)C1 ZINC001440533695 1093795487 /nfs/dbraw/zinc/79/54/87/1093795487.db2.gz GIDRTYIKZLUJDX-YLJYHZDGSA-N 1 3 341.499 2.281 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2Cc3ccccc3CN2CC2CC2)C1 ZINC001440533695 1093795502 /nfs/dbraw/zinc/79/55/02/1093795502.db2.gz GIDRTYIKZLUJDX-YLJYHZDGSA-N 1 3 341.499 2.281 10 0 EEAEHO C[C@H](F)CCN1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001440538800 1093804511 /nfs/dbraw/zinc/80/45/11/1093804511.db2.gz OQXSUIOZDCLFLT-MAUKXSAKSA-N 1 3 335.467 2.229 10 0 EEAEHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc2cc[nH]c2c1)N(C)C ZINC001440977042 1094237056 /nfs/dbraw/zinc/23/70/56/1094237056.db2.gz ORZYKLHFTNLLKQ-KSSFIOAISA-N 1 3 330.476 2.445 10 0 EEAEHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc2cc[nH]c2c1)N(C)C ZINC001440977042 1094237061 /nfs/dbraw/zinc/23/70/61/1094237061.db2.gz ORZYKLHFTNLLKQ-KSSFIOAISA-N 1 3 330.476 2.445 10 0 EEAEHO C[NH+]1CCC(C(=O)N[C@@H](CNCc2cncs2)C(C)(C)C)CC1 ZINC001449326381 1094278916 /nfs/dbraw/zinc/27/89/16/1094278916.db2.gz VQDGYSWAMLMESU-HNNXBMFYSA-N 1 3 338.521 2.105 10 0 EEAEHO Cc1ccccc1CN1CC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001441203885 1094565547 /nfs/dbraw/zinc/56/55/47/1094565547.db2.gz JMJZNGBHKBGFBR-IRXDYDNUSA-N 1 3 329.488 2.273 10 0 EEAEHO Cc1ccccc1CN1CC([C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001441203885 1094565551 /nfs/dbraw/zinc/56/55/51/1094565551.db2.gz JMJZNGBHKBGFBR-IRXDYDNUSA-N 1 3 329.488 2.273 10 0 EEAEHO C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(CCc2cccs2)C1 ZINC001441213280 1094577849 /nfs/dbraw/zinc/57/78/49/1094577849.db2.gz STDMDVCLKGHJCO-GJZGRUSLSA-N 1 3 335.517 2.069 10 0 EEAEHO C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(CCc2cccs2)C1 ZINC001441213280 1094577859 /nfs/dbraw/zinc/57/78/59/1094577859.db2.gz STDMDVCLKGHJCO-GJZGRUSLSA-N 1 3 335.517 2.069 10 0 EEAEHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001441848085 1095929888 /nfs/dbraw/zinc/92/98/88/1095929888.db2.gz WYFHSAOXTHYSQC-DLBZAZTESA-N 1 3 343.515 2.370 10 0 EEAEHO Cc1ncccc1CN[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001442072694 1096286329 /nfs/dbraw/zinc/28/63/29/1096286329.db2.gz ZDVBLDRSLYZKAY-VQIMIIECSA-N 1 3 346.519 2.495 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cc(F)ccc2F)C1 ZINC001442159330 1096416414 /nfs/dbraw/zinc/41/64/14/1096416414.db2.gz YIURLWWTYYUNSX-CQSZACIVSA-N 1 3 339.430 2.243 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H](NCc2c(F)cccc2F)C1 ZINC001442196179 1096474036 /nfs/dbraw/zinc/47/40/36/1096474036.db2.gz QAAYAHFMCUYUDD-KGLIPLIRSA-N 1 3 339.430 2.434 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)C/C=C/Cl)C1 ZINC001443348941 1097871757 /nfs/dbraw/zinc/87/17/57/1097871757.db2.gz ZOSICDNOULALPU-HKFHSAMXSA-N 1 3 327.900 2.394 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)C/C=C/Cl)C1 ZINC001443348941 1097871763 /nfs/dbraw/zinc/87/17/63/1097871763.db2.gz ZOSICDNOULALPU-HKFHSAMXSA-N 1 3 327.900 2.394 10 0 EEAEHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CN(C)C/C=C/Cl)C1 ZINC001443348941 1097871768 /nfs/dbraw/zinc/87/17/68/1097871768.db2.gz ZOSICDNOULALPU-HKFHSAMXSA-N 1 3 327.900 2.394 10 0 EEAEHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CN(C)C/C=C/Cl)C1 ZINC001443348941 1097871773 /nfs/dbraw/zinc/87/17/73/1097871773.db2.gz ZOSICDNOULALPU-HKFHSAMXSA-N 1 3 327.900 2.394 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCC2C[NH+]([C@H]3CCc4ccccc43)C2)C1 ZINC001443609790 1098104541 /nfs/dbraw/zinc/10/45/41/1098104541.db2.gz CMYSBDUJNKDGOX-BEFAXECRSA-N 1 3 327.472 2.064 10 0 EEAEHO Cc1nocc1CNCC1(NC(=O)CC[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001444072622 1098596542 /nfs/dbraw/zinc/59/65/42/1098596542.db2.gz OBHXYBBMZZEFRZ-KRWDZBQOSA-N 1 3 348.491 2.376 10 0 EEAEHO Cc1nocc1CNCC1(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001444072622 1098596552 /nfs/dbraw/zinc/59/65/52/1098596552.db2.gz OBHXYBBMZZEFRZ-KRWDZBQOSA-N 1 3 348.491 2.376 10 0 EEAEHO CC(C)N(C)CC(=O)NC1(C[NH2+]C[C@@H]2CC(C)(C)CO2)CCCC1 ZINC001444084938 1098615285 /nfs/dbraw/zinc/61/52/85/1098615285.db2.gz CSLBPGBJYYLAFD-INIZCTEOSA-N 1 3 339.524 2.160 10 0 EEAEHO Cc1noc(C)c1CN[C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001479693069 1098759593 /nfs/dbraw/zinc/75/95/93/1098759593.db2.gz UIYYKJHGQWRZQO-MRXNPFEDSA-N 1 3 336.480 2.104 10 0 EEAEHO CCn1ccc(CNC[C@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)n1 ZINC001444384311 1098970832 /nfs/dbraw/zinc/97/08/32/1098970832.db2.gz WNOVGRMTSBJPCR-IRXDYDNUSA-N 1 3 349.523 2.009 10 0 EEAEHO Cc1cc(CNC[C@@H](C)N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)sn1 ZINC001444635549 1099462215 /nfs/dbraw/zinc/46/22/15/1099462215.db2.gz ZIFCXZQIOIWSDO-HUUCEWRRSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1cc(CNC[C@@H](C)N(C)C(=O)CC[C@H]2CCC[N@H+]2C)sn1 ZINC001444635549 1099462224 /nfs/dbraw/zinc/46/22/24/1099462224.db2.gz ZIFCXZQIOIWSDO-HUUCEWRRSA-N 1 3 338.521 2.262 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001480106843 1099675212 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EEAEHO Cc1ccncc1CN1CCC(C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001446479933 1100909397 /nfs/dbraw/zinc/90/93/97/1100909397.db2.gz JOTGFIUVFFGXHE-KRWDZBQOSA-N 1 3 344.503 2.203 10 0 EEAEHO Cc1ccncc1CN1CCC(C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001446479933 1100909400 /nfs/dbraw/zinc/90/94/00/1100909400.db2.gz JOTGFIUVFFGXHE-KRWDZBQOSA-N 1 3 344.503 2.203 10 0 EEAEHO CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ocnc1C)N(C)C ZINC001496412744 1101004769 /nfs/dbraw/zinc/00/47/69/1101004769.db2.gz WMFTZFGUUZOCDK-HOTGVXAUSA-N 1 3 336.480 2.184 10 0 EEAEHO CC[C@@H](C(=O)N1CCC(CC[NH2+]CCC(F)(F)F)CC1)N(C)C ZINC001495433363 1101151027 /nfs/dbraw/zinc/15/10/27/1101151027.db2.gz YNJXKVXUPOQOAE-AWEZNQCLSA-N 1 3 337.430 2.497 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC2(CC[N@H+](Cc3ccccn3)C2)CC1 ZINC001495605894 1101323335 /nfs/dbraw/zinc/32/33/35/1101323335.db2.gz LWCPPIOWYLMCBX-UHFFFAOYSA-N 1 3 344.503 2.236 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC2(CC[N@@H+](Cc3ccccn3)C2)CC1 ZINC001495605894 1101323349 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CLXRYQPGEYDCEP-AKHDSKFASA-N 1 3 329.488 2.067 10 0 EEAEHO CC(C)[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC001485616953 1191863458 /nfs/dbraw/zinc/86/34/58/1191863458.db2.gz CLXRYQPGEYDCEP-AKHDSKFASA-N 1 3 329.488 2.067 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCC[N@H+](CC2CC3(CCC3)C2)C2CC2)C1 ZINC001493412767 1176480046 /nfs/dbraw/zinc/48/00/46/1176480046.db2.gz AZALVMSYMDQJAU-MRXNPFEDSA-N 1 3 333.520 2.489 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](CC2CC3(CCC3)C2)C2CC2)C1 ZINC001493412767 1176480048 /nfs/dbraw/zinc/48/00/48/1176480048.db2.gz AZALVMSYMDQJAU-MRXNPFEDSA-N 1 3 333.520 2.489 10 0 EEAEHO CN(CCNCc1cc2ccccc2o1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266701764 1177226773 /nfs/dbraw/zinc/22/67/73/1177226773.db2.gz DVDYWUJWHLOEHP-SFHVURJKSA-N 1 3 341.455 2.323 10 0 EEAEHO Cc1nc(C)c(CN[C@H]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)C2)o1 ZINC001266734875 1177324050 /nfs/dbraw/zinc/32/40/50/1177324050.db2.gz BEEYSLCRJNTIDV-CALCHBBNSA-N 1 3 348.491 2.294 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001691128645 1177617205 /nfs/dbraw/zinc/61/72/05/1177617205.db2.gz PTMGYFNJJIMJBU-OTVXOJSOSA-N 1 3 338.883 2.060 10 0 EEAEHO Cc1cncc(CN2CC[C@@H](CNC(=O)CCCC[NH+](C)C)C2)c1 ZINC001691165665 1177662937 /nfs/dbraw/zinc/66/29/37/1177662937.db2.gz CWKLMYZXQCDKSK-KRWDZBQOSA-N 1 3 332.492 2.060 10 0 EEAEHO Cc1cc(C)cc(OCC[NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001266945039 1177863864 /nfs/dbraw/zinc/86/38/64/1177863864.db2.gz XJFYKXVWRVDXEP-QGZVFWFLSA-N 1 3 347.503 2.261 10 0 EEAEHO C[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H](C[NH2+]CCF)C1 ZINC001691370418 1177978890 /nfs/dbraw/zinc/97/88/90/1177978890.db2.gz PRTJQYYKCISHNP-VKJFTORMSA-N 1 3 345.478 2.385 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1cc(F)cc(F)c1 ZINC001267372759 1178883291 /nfs/dbraw/zinc/88/32/91/1178883291.db2.gz XBRDGDPSOFEWKC-KRWDZBQOSA-N 1 3 339.430 2.386 10 0 EEAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1cc(F)cc(F)c1 ZINC001267372759 1178883301 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CC(C)OCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001481327921 1181043786 /nfs/dbraw/zinc/04/37/86/1181043786.db2.gz ICFHCKHDTRDASR-AEFFLSMTSA-N 1 3 339.524 2.112 10 0 EEAEHO CC[C@H](C(=O)N[C@@](C)(C[NH2+]Cc1cnc(C)s1)C1CC1)N(C)C ZINC001481933555 1182981794 /nfs/dbraw/zinc/98/17/94/1182981794.db2.gz LQYQEDRFNIFDIS-WBVHZDCISA-N 1 3 338.521 2.166 10 0 EEAEHO CCN(CCNCc1ccc(Cl)s1)C(=O)C12CC[NH+](CC1)C2 ZINC001268492628 1182991886 /nfs/dbraw/zinc/99/18/86/1182991886.db2.gz IHTNUJJWBXAVLD-UHFFFAOYSA-N 1 3 341.908 2.435 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)N[C@@](C)(CNCc2ccccc2F)C2CC2)C1 ZINC001481953343 1183030297 /nfs/dbraw/zinc/03/02/97/1183030297.db2.gz XSAQDIZRVBSECP-KXBFYZLASA-N 1 3 333.451 2.152 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)N[C@@](C)(CNCc2ccccc2F)C2CC2)C1 ZINC001481953343 1183030307 /nfs/dbraw/zinc/03/03/07/1183030307.db2.gz XSAQDIZRVBSECP-KXBFYZLASA-N 1 3 333.451 2.152 10 0 EEAEHO Cc1ncoc1C[NH2+]CCC1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001482000968 1183115014 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2.262 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]Cc1ccnc(Cl)c1 ZINC001269424250 1184256605 /nfs/dbraw/zinc/25/66/05/1184256605.db2.gz DFBBPFZRCFRIMN-ZIAGYGMSSA-N 1 3 326.872 2.060 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCOc2ccccc2)C[C@@H]1C ZINC001269989576 1184769701 /nfs/dbraw/zinc/76/97/01/1184769701.db2.gz ULRJIHILTAGZHF-ROUUACIJSA-N 1 3 347.503 2.375 10 0 EEAEHO COc1ccc(C)cc1CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482283896 1185059346 /nfs/dbraw/zinc/05/93/46/1185059346.db2.gz RHKAJPCTUVPSMP-LZLYRXPVSA-N 1 3 347.503 2.280 10 0 EEAEHO COc1ccc(C)cc1CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482283896 1185059351 /nfs/dbraw/zinc/05/93/51/1185059351.db2.gz RHKAJPCTUVPSMP-LZLYRXPVSA-N 1 3 347.503 2.280 10 0 EEAEHO CC(C)OCCC[NH+]1CC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001270869874 1185555382 /nfs/dbraw/zinc/55/53/82/1185555382.db2.gz GKVGHIWFXLRIDN-UHFFFAOYSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cccnc1)N(C)C ZINC001482457223 1185891785 /nfs/dbraw/zinc/89/17/85/1185891785.db2.gz SYDXBDNHOIZBJM-MSOLQXFVSA-N 1 3 332.492 2.283 10 0 EEAEHO CC[C@H](C(=O)N1CC2(C1)CC[NH+](CCCCCF)CC2)N(C)C ZINC001280388038 1186145172 /nfs/dbraw/zinc/14/51/72/1186145172.db2.gz LLTIRIDRIDATAB-MRXNPFEDSA-N 1 3 327.488 2.391 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C)nc1C ZINC001482692771 1187659349 /nfs/dbraw/zinc/65/93/49/1187659349.db2.gz JYQJZOGFYSBNMS-RBUKOAKNSA-N 1 3 346.519 2.415 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001482693324 1187660205 /nfs/dbraw/zinc/66/02/05/1187660205.db2.gz LWLLZAHYTWQPGM-ZBFHGGJFSA-N 1 3 346.500 2.439 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)cc1F)N(C)C ZINC001482847181 1187766177 /nfs/dbraw/zinc/76/61/77/1187766177.db2.gz QDCQDAMTTKWZOS-MLGOLLRUSA-N 1 3 327.419 2.289 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1c(C)noc1C ZINC001482903127 1187828966 /nfs/dbraw/zinc/82/89/66/1187828966.db2.gz XDKXZDXSPXZSLB-GUYCJALGSA-N 1 3 336.480 2.150 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc(Cl)n1 ZINC000841848558 1187994172 /nfs/dbraw/zinc/99/41/72/1187994172.db2.gz MCQKCDAMMXFBIE-CABCVRRESA-N 1 3 338.883 2.457 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)NC/C=C\CN[C@@H]2CCCc3ccc(F)cc32)C1 ZINC001483091897 1188459670 /nfs/dbraw/zinc/45/96/70/1188459670.db2.gz BAQNPISJHKNFOJ-QJWSLPPGSA-N 1 3 345.462 2.417 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)NC/C=C\CN[C@@H]2CCCc3ccc(F)cc32)C1 ZINC001483091897 1188459672 /nfs/dbraw/zinc/45/96/72/1188459672.db2.gz BAQNPISJHKNFOJ-QJWSLPPGSA-N 1 3 345.462 2.417 10 0 EEAEHO Cc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)CN(C)C(C)C)c(C)n1 ZINC001485838633 1193609464 /nfs/dbraw/zinc/60/94/64/1193609464.db2.gz VPJYVWVXHDIZKZ-IBGZPJMESA-N 1 3 346.519 2.365 10 0 EEAEHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CCc1ccccc1F ZINC001409347899 1189558818 /nfs/dbraw/zinc/55/88/18/1189558818.db2.gz FAEDSJMZTWAWOC-LSDHHAIUSA-N 1 3 335.467 2.335 10 0 EEAEHO Cc1cncc(CN[C@@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001485886334 1193629919 /nfs/dbraw/zinc/62/99/19/1193629919.db2.gz UWFWGZYNUMDYGA-WMZOPIPTSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1cncc(CN[C@@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)c1 ZINC001485886334 1193629920 /nfs/dbraw/zinc/62/99/20/1193629920.db2.gz UWFWGZYNUMDYGA-WMZOPIPTSA-N 1 3 332.492 2.201 10 0 EEAEHO C[C@@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)NC(=O)C1(N(C)C)CCC1 ZINC001483234560 1189722333 /nfs/dbraw/zinc/72/23/33/1189722333.db2.gz TUJZJKZIXCBDMC-NWDGAFQWSA-N 1 3 336.307 2.149 10 0 EEAEHO Cc1ccc(F)cc1CN(C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001409630737 1190122921 /nfs/dbraw/zinc/12/29/21/1190122921.db2.gz GFMXMKDVOUFEGY-HNNXBMFYSA-N 1 3 333.451 2.166 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001485962388 1193660582 /nfs/dbraw/zinc/66/05/82/1193660582.db2.gz XZIUYKBXTNJFLF-OAHLLOKOSA-N 1 3 330.476 2.445 10 0 EEAEHO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN(C)C(C)C)cc1 ZINC001483959607 1191128528 /nfs/dbraw/zinc/12/85/28/1191128528.db2.gz 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CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CC2CC(F)(F)C2)[C@H](C)C1 ZINC001484988169 1191604440 /nfs/dbraw/zinc/60/44/40/1191604440.db2.gz QVODGFKREWMMAU-HIFRSBDPSA-N 1 3 331.451 2.341 10 0 EEAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001485157857 1191673173 /nfs/dbraw/zinc/67/31/73/1191673173.db2.gz VOXHYSRNSSNDOT-QWHCGFSZSA-N 1 3 339.430 2.432 10 0 EEAEHO Cc1ccc(F)c(CN[C@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001485192212 1191686881 /nfs/dbraw/zinc/68/68/81/1191686881.db2.gz ZJAZKFHHAQFFPK-HUUCEWRRSA-N 1 3 335.467 2.459 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC001485214568 1191696318 /nfs/dbraw/zinc/69/63/18/1191696318.db2.gz GSYXJMRROPRHDJ-HOTGVXAUSA-N 1 3 347.503 2.084 10 0 EEAEHO Cc1cncc(CN2CC[C@]3(NC(=O)CCC[NH+](C)C)CCC[C@H]23)c1 ZINC001486151770 1193702362 /nfs/dbraw/zinc/70/23/62/1193702362.db2.gz YDFMOLNJOLMTRB-AZUAARDMSA-N 1 3 344.503 2.345 10 0 EEAEHO CC[C@H](C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1)OC ZINC001410227092 1197617548 /nfs/dbraw/zinc/61/75/48/1197617548.db2.gz YRXMAQNDBMECML-BRSBDYLESA-N 1 3 339.524 2.159 10 0 EEAEHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CC[C@H]1CCCC1(F)F ZINC001410441897 1197904421 /nfs/dbraw/zinc/90/44/21/1197904421.db2.gz CHHRQMJFKHOFPN-QWHCGFSZSA-N 1 3 328.407 2.214 10 0 EEAEHO CC(C)(O)C[C@H](O)CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000872205909 1198085927 /nfs/dbraw/zinc/08/59/27/1198085927.db2.gz LIXATEDZLALYJJ-VNTMZGSJSA-N 1 3 346.515 2.399 10 0 EEAEHO CC(C)(O)C[C@H](O)CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000872205909 1198085935 /nfs/dbraw/zinc/08/59/35/1198085935.db2.gz LIXATEDZLALYJJ-VNTMZGSJSA-N 1 3 346.515 2.399 10 0 EEAEHO CC(C)(O)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000872205909 1198085944 /nfs/dbraw/zinc/08/59/44/1198085944.db2.gz LIXATEDZLALYJJ-VNTMZGSJSA-N 1 3 346.515 2.399 10 0 EEAEHO CC(C)N(CC[N@H+](C)CCC[C@H]1CCOC1)C(=O)[C@H]1CCCN1C ZINC001411198846 1198896611 /nfs/dbraw/zinc/89/66/11/1198896611.db2.gz JGJLNPYLCGFARY-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(CC[N@@H+](C)CCC[C@H]1CCOC1)C(=O)[C@H]1CCCN1C ZINC001411198846 1198896612 /nfs/dbraw/zinc/89/66/12/1198896612.db2.gz JGJLNPYLCGFARY-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO COCc1cccc(C[NH2+]C2CC(N(C)C(=O)CN(C)C(C)C)C2)c1 ZINC001411254923 1198981709 /nfs/dbraw/zinc/98/17/09/1198981709.db2.gz QPUVXYWESJYAPH-UHFFFAOYSA-N 1 3 347.503 2.252 10 0 EEAEHO CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000811524878 1200107007 /nfs/dbraw/zinc/10/70/07/1200107007.db2.gz OXVIPNDTPOQQHU-JCHQDKQGSA-N 1 3 325.472 2.283 10 0 EEAEHO CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000811524878 1200107012 /nfs/dbraw/zinc/10/70/12/1200107012.db2.gz OXVIPNDTPOQQHU-JCHQDKQGSA-N 1 3 325.472 2.283 10 0 EEAEHO C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000866414664 1201512180 /nfs/dbraw/zinc/51/21/80/1201512180.db2.gz RHQZUWXUDXRZOG-HOJAQTOUSA-N 1 3 345.531 2.332 10 0 EEAEHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)c2)nn1 ZINC000925722491 1206146546 /nfs/dbraw/zinc/14/65/46/1206146546.db2.gz LKUVUMUSYMNLJO-YESZJQIVSA-N 1 3 341.459 2.021 10 0 EEAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC000925735630 1206147776 /nfs/dbraw/zinc/14/77/76/1206147776.db2.gz HRSWWPTZLDGGOK-RHSMWYFYSA-N 1 3 333.476 2.475 10 0 EEAEHO CC(C)C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccn1 ZINC000925853764 1206161237 /nfs/dbraw/zinc/16/12/37/1206161237.db2.gz REOONAWFVAVAII-NVXWUHKLSA-N 1 3 331.460 2.444 10 0 EEAEHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1cnnn1-c1ccccc1 ZINC000926686914 1206237302 /nfs/dbraw/zinc/23/73/02/1206237302.db2.gz SQSMRULQYLUHJZ-IRXDYDNUSA-N 1 3 344.507 2.190 10 0 EEAEHO C[NH+](C)CC[C@H](NC(=O)C(C)(C)N1CCCCC1)c1cccnc1 ZINC000928830396 1206425398 /nfs/dbraw/zinc/42/53/98/1206425398.db2.gz MPCCWIOTCOGZKS-KRWDZBQOSA-N 1 3 332.492 2.455 10 0 EEAEHO c1ccc(C[N@H+]2CC[C@H]3CN(C[C@@H]4C[C@@H]5COC[C@@H]5O4)C[C@H]3C2)cc1 ZINC000931747617 1207454964 /nfs/dbraw/zinc/45/49/64/1207454964.db2.gz TZBVMALYUFLHPH-ZPAWYTMASA-N 1 3 342.483 2.244 10 0 EEAEHO c1ccc(C[N@@H+]2CC[C@H]3CN(C[C@@H]4C[C@@H]5COC[C@@H]5O4)C[C@H]3C2)cc1 ZINC000931747617 1207454967 /nfs/dbraw/zinc/45/49/67/1207454967.db2.gz TZBVMALYUFLHPH-ZPAWYTMASA-N 1 3 342.483 2.244 10 0 EEAEHO CN(C)[C@@H](CNC(=O)C[NH2+]C1([C@@H]2CCCO2)CCC1)c1ccccc1 ZINC001413087213 1234034349 /nfs/dbraw/zinc/03/43/49/1234034349.db2.gz UQRPQHKRPFPXCY-ROUUACIJSA-N 1 3 345.487 2.097 10 0 EEAEHO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](CN)Cc2cnn(C)c2C)C12CCC2 ZINC000903899528 1242398134 /nfs/dbraw/zinc/39/81/34/1242398134.db2.gz SXUYYRNLIVJJHW-KBAYOESNSA-N 1 3 334.508 2.125 10 0 EEAEHO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](CN)Cc2cnn(C)c2C)C12CCC2 ZINC000903899528 1242398146 /nfs/dbraw/zinc/39/81/46/1242398146.db2.gz SXUYYRNLIVJJHW-KBAYOESNSA-N 1 3 334.508 2.125 10 0 EEAEHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](CNC/C(Cl)=C/Cl)C2)C1 ZINC001491172066 1258741809 /nfs/dbraw/zinc/74/18/09/1258741809.db2.gz AVHGRWWOWUGJHY-VJHAYEMCSA-N 1 3 348.318 2.475 10 0 EEAEHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNC/C(Cl)=C/Cl)C2)C1 ZINC001491172066 1258741813 /nfs/dbraw/zinc/74/18/13/1258741813.db2.gz AVHGRWWOWUGJHY-VJHAYEMCSA-N 1 3 348.318 2.475 10 0 EEAEHO Cc1ncc(CN[C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)s1 ZINC001491505324 1259156407 /nfs/dbraw/zinc/15/64/07/1259156407.db2.gz VVEIHCCGEDHRGY-CJNGLKHVSA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1ncc(CN[C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)s1 ZINC001491505324 1259156412 /nfs/dbraw/zinc/15/64/12/1259156412.db2.gz VVEIHCCGEDHRGY-CJNGLKHVSA-N 1 3 338.521 2.166 10 0 EEAEHO CSc1nnc(CCCN[C@@H]2C[C@@H]([NH3+])C23CCC3)n1CC(C)C ZINC000925487699 1292207282 /nfs/dbraw/zinc/20/72/82/1292207282.db2.gz NXOYEFOTKDYFIM-ZIAGYGMSSA-N 1 3 337.537 2.448 10 0 EEAEHO COc1cccc(/C(C)=C\C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000855346258 1293183866 /nfs/dbraw/zinc/18/38/66/1293183866.db2.gz UJICXPPGDUMEII-NOCRFKNCSA-N 1 3 347.503 2.487 10 0 EEAEHO COc1cccc(/C(C)=C\C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000855346258 1293183870 /nfs/dbraw/zinc/18/38/70/1293183870.db2.gz UJICXPPGDUMEII-NOCRFKNCSA-N 1 3 347.503 2.487 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000855345078 1293184040 /nfs/dbraw/zinc/18/40/40/1293184040.db2.gz MGLMFJGNJVMFDF-HNNXBMFYSA-N 1 3 347.503 2.402 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000855345078 1293184044 /nfs/dbraw/zinc/18/40/44/1293184044.db2.gz MGLMFJGNJVMFDF-HNNXBMFYSA-N 1 3 347.503 2.402 10 0 EEAEHO CN(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC000841866677 1315626390 /nfs/dbraw/zinc/62/63/90/1315626390.db2.gz GIMSPSPJUAYERV-HIEASXQVSA-N 1 3 330.476 2.343 10 0 EEAEHO CC(C)(C)[NH2+]CC(=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001157382855 1318591206 /nfs/dbraw/zinc/59/12/06/1318591206.db2.gz ZLWCBWBSKMUWBR-UHFFFAOYSA-N 1 3 347.503 2.126 10 0 EEAEHO COCCC[NH+]1CCC([C@@H](C)NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001279097158 1319254333 /nfs/dbraw/zinc/25/43/33/1319254333.db2.gz MFKVHZGTXSBSPC-MRXNPFEDSA-N 1 3 341.540 2.218 10 0 EEAEHO COCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C(C)C ZINC001265670902 1323310904 /nfs/dbraw/zinc/31/09/04/1323310904.db2.gz XGYCZTZGWGMSEQ-MSOLQXFVSA-N 1 3 339.524 2.257 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCOc2cc(C)cc(C)c2)C1)N(C)C ZINC001265914794 1323482681 /nfs/dbraw/zinc/48/26/81/1323482681.db2.gz WZBBWNCPLKGUCX-PKOBYXMFSA-N 1 3 347.503 2.213 10 0 EEAEHO CN(CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CCC(F)(F)F ZINC001265954390 1323516612 /nfs/dbraw/zinc/51/66/12/1323516612.db2.gz POUPUMNZPFLWKZ-KBPBESRZSA-N 1 3 337.430 2.497 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC001265963703 1323524867 /nfs/dbraw/zinc/52/48/67/1323524867.db2.gz JVLRPZJIUWEQQH-MOPGFXCFSA-N 1 3 329.488 2.070 10 0 EEAEHO Cc1cc(CNCC[C@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)on1 ZINC001280083041 1324077932 /nfs/dbraw/zinc/07/79/32/1324077932.db2.gz GWBQUBPSPTXKSB-IRXDYDNUSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1cc(CNCC[C@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)on1 ZINC001280083041 1324077939 /nfs/dbraw/zinc/07/79/39/1324077939.db2.gz GWBQUBPSPTXKSB-IRXDYDNUSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ccccc1OCC[NH2+][C@@H](C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001283677694 1326197808 /nfs/dbraw/zinc/19/78/08/1326197808.db2.gz KLURJLFRSHMTCD-WMZOPIPTSA-N 1 3 347.503 2.152 10 0 EEAEHO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C)cc1Cl ZINC001491682301 1330204412 /nfs/dbraw/zinc/20/44/12/1330204412.db2.gz KHYRSWGPRRDFEB-ZDUSSCGKSA-N 1 3 341.883 2.283 10 0 EEAEHO Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001491718124 1330228878 /nfs/dbraw/zinc/22/88/78/1330228878.db2.gz ZNXZSDYXGYQCHQ-RBUKOAKNSA-N 1 3 329.488 2.212 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC001492165649 1331030799 /nfs/dbraw/zinc/03/07/99/1331030799.db2.gz ZCTZNIWJUIQGDX-MJGOQNOKSA-N 1 3 344.503 2.284 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC001492165649 1331030805 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EEAEHO CN(CC[NH2+]C/C=C\c1ccc(Cl)cc1)C(=O)CN1CCCC1 ZINC001317661888 1332356486 /nfs/dbraw/zinc/35/64/86/1332356486.db2.gz QFHAVEKTXREHSK-PLNGDYQASA-N 1 3 335.879 2.497 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2cccnc2)C1)N(C)C ZINC001318850902 1332611365 /nfs/dbraw/zinc/61/13/65/1332611365.db2.gz PCQWWDHPMSLMHT-AEFFLSMTSA-N 1 3 332.492 2.140 10 0 EEAEHO Cc1ccc(OCC[NH2+]C[C@H](C)N(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001319533658 1332717105 /nfs/dbraw/zinc/71/71/05/1332717105.db2.gz JDHWWFLYTUNMAR-ROUUACIJSA-N 1 3 347.503 2.152 10 0 EEAEHO CCc1ccc(CC[NH2+]CCN(CC)C(=O)[C@@H]2CCCN2C)cc1 ZINC001320694219 1332936705 /nfs/dbraw/zinc/93/67/05/1332936705.db2.gz FIJWWYAWXWKFHR-IBGZPJMESA-N 1 3 331.504 2.324 10 0 EEAEHO CCN(CC[NH2+]Cc1cc(F)cc(F)c1)C(=O)C1(N(C)C)CCC1 ZINC001320757144 1332947043 /nfs/dbraw/zinc/94/70/43/1332947043.db2.gz YYOJOVJBMCXLRD-UHFFFAOYSA-N 1 3 339.430 2.387 10 0 EEAEHO COc1cccc(CNC/C=C/CNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001321187195 1333039958 /nfs/dbraw/zinc/03/99/58/1333039958.db2.gz SHPBCNHQOPRXDD-SNAWJCMRSA-N 1 3 345.487 2.332 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001322693151 1333308514 /nfs/dbraw/zinc/30/85/14/1333308514.db2.gz CODXGEAYJWUYEW-INIZCTEOSA-N 1 3 342.487 2.448 10 0 EEAEHO CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CCC2CCCCC2)C1)N(C)C ZINC001327048590 1334211099 /nfs/dbraw/zinc/21/10/99/1334211099.db2.gz LMGKRXXENSZJQA-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)OCCC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001327996622 1334375930 /nfs/dbraw/zinc/37/59/30/1334375930.db2.gz WZDQDNCUJOWHHH-KRWDZBQOSA-N 1 3 341.540 2.358 10 0 EEAEHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CCCc3ccccc3)C2)C1 ZINC001330655890 1334883205 /nfs/dbraw/zinc/88/32/05/1334883205.db2.gz MIWMOWMEXCSJDX-IHPCNDPISA-N 1 3 343.515 2.445 10 0 EEAEHO CNC(=O)[C@@H]1CCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001434475602 1341852899 /nfs/dbraw/zinc/85/28/99/1341852899.db2.gz MTQPTHZCGDBPTE-HXUWFJFHSA-N 1 3 343.515 2.399 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CC/C=C/c2ccccc2)C1 ZINC001499119841 1342107908 /nfs/dbraw/zinc/10/79/08/1342107908.db2.gz IPDRVQGRSORUSN-FQMXMGHCSA-N 1 3 327.472 2.232 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CC/C=C/c2ccccc2)C1 ZINC001499119841 1342107911 /nfs/dbraw/zinc/10/79/11/1342107911.db2.gz IPDRVQGRSORUSN-FQMXMGHCSA-N 1 3 327.472 2.232 10 0 EEAEHO Cc1cccnc1CN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001570361616 1343061438 /nfs/dbraw/zinc/06/14/38/1343061438.db2.gz HBLOZMBUEBJTTN-FUHWJXTLSA-N 1 3 332.492 2.058 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@H]1CN(CCCOc2ccccc2)CC1(C)C ZINC001570902480 1343136872 /nfs/dbraw/zinc/13/68/72/1343136872.db2.gz SXFGXUVLGSMDJK-SFHVURJKSA-N 1 3 347.503 2.234 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001676968941 1357251572 /nfs/dbraw/zinc/25/15/72/1357251572.db2.gz FDSWWPKMGYEHFY-RYUDHWBXSA-N 1 3 332.370 2.088 10 0 EEAEHO CN(C)C1(C(=O)N2CCO[C@@H](C[NH2+]CCCC(C)(C)C)C2)CCC1 ZINC001649454980 1353514039 /nfs/dbraw/zinc/51/40/39/1353514039.db2.gz BKCYLKQFHXRSRH-INIZCTEOSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1nocc1CNCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001668118028 1355876264 /nfs/dbraw/zinc/87/62/64/1355876264.db2.gz PPRBCSUQBMCOPO-YOEHRIQHSA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1nocc1CNCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001668118028 1355876271 /nfs/dbraw/zinc/87/62/71/1355876271.db2.gz PPRBCSUQBMCOPO-YOEHRIQHSA-N 1 3 336.480 2.088 10 0 EEAEHO O=C(NC/C=C/CNCCC(F)(F)F)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001668882866 1356033993 /nfs/dbraw/zinc/03/39/93/1356033993.db2.gz KXRHXGZPDLRWAQ-SZZVUECUSA-N 1 3 333.398 2.218 10 0 EEAEHO O=C(NC/C=C/CNCCC(F)(F)F)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001668882866 1356033998 /nfs/dbraw/zinc/03/39/98/1356033998.db2.gz KXRHXGZPDLRWAQ-SZZVUECUSA-N 1 3 333.398 2.218 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001668883252 1356034394 /nfs/dbraw/zinc/03/43/94/1356034394.db2.gz NUISFNOSMYHBJC-FPXQDXNASA-N 1 3 342.487 2.169 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001668883252 1356034397 /nfs/dbraw/zinc/03/43/97/1356034397.db2.gz NUISFNOSMYHBJC-FPXQDXNASA-N 1 3 342.487 2.169 10 0 EEAEHO C[C@H](C[NH2+]CCC[C@@H]1CCOC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001669293466 1356141348 /nfs/dbraw/zinc/14/13/48/1356141348.db2.gz NXVLUQXOOFXTDA-IAGOWNOFSA-N 1 3 339.524 2.162 10 0 EEAEHO Cc1oncc1CNCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001675898126 1357064823 /nfs/dbraw/zinc/06/48/23/1357064823.db2.gz KKWACHXLHADQHR-WMLDXEAASA-N 1 3 336.480 2.230 10 0 EEAEHO Cc1oncc1CNCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001675898126 1357064827 /nfs/dbraw/zinc/06/48/27/1357064827.db2.gz KKWACHXLHADQHR-WMLDXEAASA-N 1 3 336.480 2.230 10 0 EEAEHO CCOCCN1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001698569406 1405010308 /nfs/dbraw/zinc/01/03/08/1405010308.db2.gz PWVQPJBEHBIIAI-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO COCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001698954413 1405186771 /nfs/dbraw/zinc/18/67/71/1405186771.db2.gz UEFYXINAWSSWCQ-APWZRJJASA-N 1 3 347.503 2.225 10 0 EEAEHO Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)CN2CC[C@@H](C)C2)c(C)n1 ZINC001699136120 1405286143 /nfs/dbraw/zinc/28/61/43/1405286143.db2.gz ROCCXPASAKBIHB-ZBFHGGJFSA-N 1 3 332.492 2.025 10 0 EEAEHO OC[C@@H]1CN(Cc2ccc(Br)cc2)CC12CC[NH2+]CC2 ZINC000169782181 790574132 /nfs/dbraw/zinc/57/41/32/790574132.db2.gz NNVGFZYXDQVMQA-AWEZNQCLSA-N 1 3 339.277 2.243 10 0 EEAEHO C[C@]1(NC(=O)c2ccc(Nc3ccncc3)cc2)C[NH+]2CCC1CC2 ZINC000912380448 788133657 /nfs/dbraw/zinc/13/36/57/788133657.db2.gz SIGBSSZYIZFZSW-FQEVSTJZSA-N 1 3 336.439 2.461 10 0 EEAEHO CN1CCC[C@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000062527859 791646262 /nfs/dbraw/zinc/64/62/62/791646262.db2.gz AXBYYROKELGKLG-SFHVURJKSA-N 1 3 336.524 2.425 10 0 EEAEHO Cn1cc(CN2CCC3(CC2)CC[NH+](C)CC3)c(Br)n1 ZINC000713842411 794744237 /nfs/dbraw/zinc/74/42/37/794744237.db2.gz DNZOCUYUAUQYIA-UHFFFAOYSA-N 1 3 341.297 2.490 10 0 EEAEHO CC(C)[NH+]1CCC(O)(CNCc2cn(C)nc2C2CCCC2)CC1 ZINC000921842793 797084533 /nfs/dbraw/zinc/08/45/33/797084533.db2.gz MVXJLMNAHISPPM-UHFFFAOYSA-N 1 3 334.508 2.403 10 0 EEAEHO CC(C)OCCN1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001436492444 1087993275 /nfs/dbraw/zinc/99/32/75/1087993275.db2.gz WGIKAIVQUXTVPL-FGTMMUONSA-N 1 3 339.524 2.111 10 0 EEAEHO CC[C@H](CN1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1)OC ZINC001436731763 1088207095 /nfs/dbraw/zinc/20/70/95/1088207095.db2.gz OXCHDOSXPCYMLO-DOTOQJQBSA-N 1 3 339.524 2.255 10 0 EEAEHO CC[C@H](CN1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1)OC ZINC001436731763 1088207107 /nfs/dbraw/zinc/20/71/07/1088207107.db2.gz OXCHDOSXPCYMLO-DOTOQJQBSA-N 1 3 339.524 2.255 10 0 EEAEHO CC(C)OCCN1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001437029826 1088839207 /nfs/dbraw/zinc/83/92/07/1088839207.db2.gz CBJPBRBFESRTAU-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)OCCN1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001437029826 1088839233 /nfs/dbraw/zinc/83/92/33/1088839233.db2.gz CBJPBRBFESRTAU-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1nsc(C)c1CN[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001437217358 1089296306 /nfs/dbraw/zinc/29/63/06/1089296306.db2.gz UPBLUTCDKPWBFA-LBPRGKRZSA-N 1 3 338.521 2.086 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC001437424011 1089711806 /nfs/dbraw/zinc/71/18/06/1089711806.db2.gz AFYBULONVMDVDV-SJLPKXTDSA-N 1 3 332.492 2.249 10 0 EEAEHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@@H]2CCCN2CCCF)C1 ZINC001437673635 1090202654 /nfs/dbraw/zinc/20/26/54/1090202654.db2.gz BMISSQZAOBTUPM-WMLDXEAASA-N 1 3 331.451 2.139 10 0 EEAEHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@@H]2CCCN2CCCF)C1 ZINC001437673635 1090202661 /nfs/dbraw/zinc/20/26/61/1090202661.db2.gz BMISSQZAOBTUPM-WMLDXEAASA-N 1 3 331.451 2.139 10 0 EEAEHO Cc1ccc(CN(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C2CC2)cc1 ZINC001437786649 1090372635 /nfs/dbraw/zinc/37/26/35/1090372635.db2.gz SFQCHYUDHSOVCH-FQEVSTJZSA-N 1 3 341.499 2.417 10 0 EEAEHO CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)NCc1ccns1 ZINC001438320380 1090796140 /nfs/dbraw/zinc/79/61/40/1090796140.db2.gz DPGZPOPSHDIICM-GDBMZVCRSA-N 1 3 338.521 2.248 10 0 EEAEHO CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)NCc1ccns1 ZINC001438320380 1090796141 /nfs/dbraw/zinc/79/61/41/1090796141.db2.gz DPGZPOPSHDIICM-GDBMZVCRSA-N 1 3 338.521 2.248 10 0 EEAEHO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(CCCC(C)(C)C)CCO1 ZINC001438576601 1091063626 /nfs/dbraw/zinc/06/36/26/1091063626.db2.gz XWZKZNMDSBWAEC-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(CCCC(C)(C)C)CCO1 ZINC001438576601 1091063630 /nfs/dbraw/zinc/06/36/30/1091063630.db2.gz XWZKZNMDSBWAEC-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccnc1C ZINC001438716227 1091237510 /nfs/dbraw/zinc/23/75/10/1091237510.db2.gz SYSOUEZSMYLWPM-QAPCUYQASA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1oncc1C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001438775000 1091363952 /nfs/dbraw/zinc/36/39/52/1091363952.db2.gz UNBQXYMENSFILH-GOEBONIOSA-N 1 3 336.480 2.040 10 0 EEAEHO CC(C)n1ccc(CN[C@@H](C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001438856532 1091491887 /nfs/dbraw/zinc/49/18/87/1091491887.db2.gz SHQXPWDUCPGFTP-DLBZAZTESA-N 1 3 349.523 2.132 10 0 EEAEHO C[C@@H](CN(C)C/C=C/c1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001439323651 1092000549 /nfs/dbraw/zinc/00/05/49/1092000549.db2.gz FWNXQTNWFWGJBA-NPEFWANSSA-N 1 3 329.488 2.477 10 0 EEAEHO C[C@@H](CN(C)C/C=C/c1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001439323651 1092000559 /nfs/dbraw/zinc/00/05/59/1092000559.db2.gz FWNXQTNWFWGJBA-NPEFWANSSA-N 1 3 329.488 2.477 10 0 EEAEHO Cc1cc(F)ccc1CNC1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001446167042 1092221323 /nfs/dbraw/zinc/22/13/23/1092221323.db2.gz KIPHHURVVRBPSV-GOSISDBHSA-N 1 3 345.462 2.214 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(CNCc3cnc(C)o3)C2)CC[N@@H+]1C ZINC001439882388 1092931842 /nfs/dbraw/zinc/93/18/42/1092931842.db2.gz AOSCYBCZFLWVHO-YQVWRLOYSA-N 1 3 348.491 2.042 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(CNCc3cnc(C)o3)C2)CC[N@H+]1C ZINC001439882388 1092931848 /nfs/dbraw/zinc/93/18/48/1092931848.db2.gz AOSCYBCZFLWVHO-YQVWRLOYSA-N 1 3 348.491 2.042 10 0 EEAEHO CC[C@@H](F)C[NH2+]C[C@@]1(C)CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001439904337 1092967816 /nfs/dbraw/zinc/96/78/16/1092967816.db2.gz YMPVYIOFWTUIKG-SJLPKXTDSA-N 1 3 327.488 2.295 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1scnc1C ZINC001448787330 1093866739 /nfs/dbraw/zinc/86/67/39/1093866739.db2.gz ZSAWJNLFRCXCAZ-UKRRQHHQSA-N 1 3 338.521 2.262 10 0 EEAEHO COc1cccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)c1 ZINC001449016911 1094018874 /nfs/dbraw/zinc/01/88/74/1094018874.db2.gz NEJZSBOGQLKSSH-WBVHZDCISA-N 1 3 333.476 2.114 10 0 EEAEHO COCc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001440791553 1094033316 /nfs/dbraw/zinc/03/33/16/1094033316.db2.gz FUYXLIBBRGPNQW-JKSUJKDBSA-N 1 3 347.503 2.300 10 0 EEAEHO COc1ccc(C)cc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001440800741 1094045127 /nfs/dbraw/zinc/04/51/27/1094045127.db2.gz RVHBPQABEKAETJ-JKSUJKDBSA-N 1 3 347.503 2.471 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CC2CCCCC2)C1 ZINC001441328868 1094787912 /nfs/dbraw/zinc/78/79/12/1094787912.db2.gz JPZWZNCQZZKZGS-SJLPKXTDSA-N 1 3 339.524 2.112 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1cc(C)ns1)C(C)(C)C)N(C)C ZINC001442139746 1096386475 /nfs/dbraw/zinc/38/64/75/1096386475.db2.gz DNOYNEPYYQGXGK-CABCVRRESA-N 1 3 340.537 2.412 10 0 EEAEHO COc1cccc([C@@H](C)[N@H+](C)CCNC(=O)CN(C)C2CCC2)c1 ZINC001442412866 1096734165 /nfs/dbraw/zinc/73/41/65/1096734165.db2.gz KTFMYEJDODXFLS-OAHLLOKOSA-N 1 3 333.476 2.289 10 0 EEAEHO COc1cccc([C@@H](C)[N@@H+](C)CCNC(=O)CN(C)C2CCC2)c1 ZINC001442412866 1096734172 /nfs/dbraw/zinc/73/41/72/1096734172.db2.gz KTFMYEJDODXFLS-OAHLLOKOSA-N 1 3 333.476 2.289 10 0 EEAEHO Cc1nsc(C)c1CN1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001442866702 1097260072 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CCN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1F ZINC001479859196 1099164860 /nfs/dbraw/zinc/16/48/60/1099164860.db2.gz ACTCJNKSSUTSPE-INIZCTEOSA-N 1 3 335.467 2.496 10 0 EEAEHO CCCN(C)CC(=O)N(C)C1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001479894973 1099273181 /nfs/dbraw/zinc/27/31/81/1099273181.db2.gz AJCGLRDDFFFSHP-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO CC(C)C[C@@H](CNCc1cccnc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001444765149 1099658863 /nfs/dbraw/zinc/65/88/63/1099658863.db2.gz XGTVLKARYYQFBP-WDSOQIARSA-N 1 3 346.519 2.432 10 0 EEAEHO CC(C)C[C@@H](CNCc1cccnc1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001444765149 1099658874 /nfs/dbraw/zinc/65/88/74/1099658874.db2.gz XGTVLKARYYQFBP-WDSOQIARSA-N 1 3 346.519 2.432 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001496375890 1100968803 /nfs/dbraw/zinc/96/88/03/1100968803.db2.gz OSIFHUIHUAYDAK-MAUKXSAKSA-N 1 3 335.467 2.493 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(C)nc2C)C1 ZINC001446949519 1101643034 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/nfs/dbraw/zinc/71/94/69/469719469.db2.gz XCUNLMNKFIDWAZ-LSDHHAIUSA-N 1 3 332.435 2.160 10 0 EEAEHO CCN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCN(C)C1 ZINC000617556591 469725968 /nfs/dbraw/zinc/72/59/68/469725968.db2.gz TUYPEEWHFOUVNR-IBGZPJMESA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C[NH2+]1 ZINC000626993775 469781941 /nfs/dbraw/zinc/78/19/41/469781941.db2.gz MWUPNSZAYOTJDI-NBMJBFSESA-N 1 3 344.503 2.337 10 0 EEAEHO CN1CC[C@H](NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)[C@H]1c1ccccc1 ZINC000627006659 469787522 /nfs/dbraw/zinc/78/75/22/469787522.db2.gz ZBLDVHDWHWMGGD-KVPLUYHFSA-N 1 3 342.487 2.073 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000627159914 469828487 /nfs/dbraw/zinc/82/84/87/469828487.db2.gz BWQKWKFAZYHUNA-ARFHVFGLSA-N 1 3 338.883 2.382 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)NC(C)(C)CN(C)Cc2ccccc2)C[NH2+]1 ZINC000627203424 469843665 /nfs/dbraw/zinc/84/36/65/469843665.db2.gz WMJADJJPTNHUSV-WBVHZDCISA-N 1 3 332.492 2.337 10 0 EEAEHO CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000631661683 470176838 /nfs/dbraw/zinc/17/68/38/470176838.db2.gz BLXFJZQAORWNEX-BHIYHBOVSA-N 1 3 327.476 2.414 10 0 EEAEHO CN(C)CCOc1cccc(NC(=O)NC2(C[NH3+])CCCCC2)c1 ZINC000632899325 470284395 /nfs/dbraw/zinc/28/43/95/470284395.db2.gz ZOSPIVMREOKDEI-UHFFFAOYSA-N 1 3 334.464 2.410 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C)cc(N)c1 ZINC000632969444 470302342 /nfs/dbraw/zinc/30/23/42/470302342.db2.gz HARHLNVJKFYLKC-GOSISDBHSA-N 1 3 347.507 2.457 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C)cc(N)c1 ZINC000632969444 470302349 /nfs/dbraw/zinc/30/23/49/470302349.db2.gz HARHLNVJKFYLKC-GOSISDBHSA-N 1 3 347.507 2.457 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)CC(F)F ZINC000645668916 470376793 /nfs/dbraw/zinc/37/67/93/470376793.db2.gz ITAVWLCWLOZTNZ-CABCVRRESA-N 1 3 348.482 2.335 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)CC(F)F ZINC000645668916 470376797 /nfs/dbraw/zinc/37/67/97/470376797.db2.gz ITAVWLCWLOZTNZ-CABCVRRESA-N 1 3 348.482 2.335 10 0 EEAEHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)COC1(C)CNC1 ZINC000649288576 470530153 /nfs/dbraw/zinc/53/01/53/470530153.db2.gz ZJQQRSIRQPKQSG-INIZCTEOSA-N 1 3 345.487 2.056 10 0 EEAEHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)COC1(C)CNC1 ZINC000649288576 470530158 /nfs/dbraw/zinc/53/01/58/470530158.db2.gz ZJQQRSIRQPKQSG-INIZCTEOSA-N 1 3 345.487 2.056 10 0 EEAEHO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000646192949 470560558 /nfs/dbraw/zinc/56/05/58/470560558.db2.gz RJTIGDGDIWDMPJ-HKUYNNGSSA-N 1 3 342.487 2.271 10 0 EEAEHO c1ccc(CN2CC[C@H]3OCCN(CC[NH+]4CCCCC4)[C@@H]3C2)cc1 ZINC000649750308 470685144 /nfs/dbraw/zinc/68/51/44/470685144.db2.gz KIENLOGARMXYSW-NHCUHLMSSA-N 1 3 343.515 2.448 10 0 EEAEHO c1ccc(N2CC[C@@H](CN3CCN(CC[NH+]4CCCC4)CC3)C2)cc1 ZINC000637870425 470862007 /nfs/dbraw/zinc/86/20/07/470862007.db2.gz SERVFXHCBBRURY-FQEVSTJZSA-N 1 3 342.531 2.226 10 0 EEAEHO CCn1nc(C)c(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1C ZINC000657594596 471178099 /nfs/dbraw/zinc/17/80/99/471178099.db2.gz IZNHLXFFAJLLIP-IBGZPJMESA-N 1 3 342.487 2.376 10 0 EEAEHO CCn1nc(C)c(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1C ZINC000657594596 471178104 /nfs/dbraw/zinc/17/81/04/471178104.db2.gz IZNHLXFFAJLLIP-IBGZPJMESA-N 1 3 342.487 2.376 10 0 EEAEHO CO[C@](C)(CO)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000655799377 471488737 /nfs/dbraw/zinc/48/87/37/471488737.db2.gz OIBHUVAWNRPVQR-ZRNYENFQSA-N 1 3 332.488 2.417 10 0 EEAEHO CO[C@](C)(CO)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000655799377 471488741 /nfs/dbraw/zinc/48/87/41/471488741.db2.gz OIBHUVAWNRPVQR-ZRNYENFQSA-N 1 3 332.488 2.417 10 0 EEAEHO CC1CCN(CCNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000659433846 471625489 /nfs/dbraw/zinc/62/54/89/471625489.db2.gz GTTSLIFYLPXZFW-RTBURBONSA-N 1 3 344.503 2.163 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N1CC2CC1(C[NH3+])C2)c1ccsc1 ZINC000659433329 471625530 /nfs/dbraw/zinc/62/55/30/471625530.db2.gz AFROCHAGTNDTFD-GNHJJJEISA-N 1 3 336.505 2.264 10 0 EEAEHO C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)[NH+](C)C ZINC000656196667 471631286 /nfs/dbraw/zinc/63/12/86/471631286.db2.gz KIEBLFJJVHGZIX-SJORKVTESA-N 1 3 332.492 2.243 10 0 EEAEHO CCOc1ccccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665175570 471963224 /nfs/dbraw/zinc/96/32/24/471963224.db2.gz XRPZUKRHYVXQSC-HNNXBMFYSA-N 1 3 336.480 2.479 10 0 EEAEHO CCOc1ccccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665175570 471963230 /nfs/dbraw/zinc/96/32/30/471963230.db2.gz XRPZUKRHYVXQSC-HNNXBMFYSA-N 1 3 336.480 2.479 10 0 EEAEHO c1cc(CN2CCC3(COC3)C2)cc(C[N@@H+]2CCC3(COC3)C2)c1 ZINC000662072842 471976195 /nfs/dbraw/zinc/97/61/95/471976195.db2.gz CNBGGCBCKNSWQO-UHFFFAOYSA-N 1 3 328.456 2.131 10 0 EEAEHO c1cc(CN2CCC3(COC3)C2)cc(C[N@H+]2CCC3(COC3)C2)c1 ZINC000662072842 471976200 /nfs/dbraw/zinc/97/62/00/471976200.db2.gz CNBGGCBCKNSWQO-UHFFFAOYSA-N 1 3 328.456 2.131 10 0 EEAEHO C(CC12CC3CC(CC(C3)C1)C2)[NH+]1CCN(C[C@@H]2CNCCO2)CC1 ZINC000662264195 472049304 /nfs/dbraw/zinc/04/93/04/472049304.db2.gz SBGVUJBPPUYIBJ-KGMASTOKSA-N 1 3 347.547 2.199 10 0 EEAEHO c1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662280340 472054306 /nfs/dbraw/zinc/05/43/06/472054306.db2.gz OBFXKAUIKMLMSO-JKSUJKDBSA-N 1 3 326.444 2.022 10 0 EEAEHO c1nc2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662280340 472054310 /nfs/dbraw/zinc/05/43/10/472054310.db2.gz OBFXKAUIKMLMSO-JKSUJKDBSA-N 1 3 326.444 2.022 10 0 EEAEHO [NH3+]Cc1cccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)c1 ZINC000662393814 472096003 /nfs/dbraw/zinc/09/60/03/472096003.db2.gz XNGLDRCQXRXALN-QWHCGFSZSA-N 1 3 332.322 2.068 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)c1cccnc1 ZINC000665639858 472120794 /nfs/dbraw/zinc/12/07/94/472120794.db2.gz GZBHAXILKISAPE-HOTGVXAUSA-N 1 3 335.496 2.056 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)c1cccnc1 ZINC000665639858 472120795 /nfs/dbraw/zinc/12/07/95/472120795.db2.gz GZBHAXILKISAPE-HOTGVXAUSA-N 1 3 335.496 2.056 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](c2ccco2)C1 ZINC000665757330 472173818 /nfs/dbraw/zinc/17/38/18/472173818.db2.gz FVEQBRTYCDKTLG-JKSUJKDBSA-N 1 3 336.480 2.051 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](c2ccco2)C1 ZINC000665757330 472173821 /nfs/dbraw/zinc/17/38/21/472173821.db2.gz FVEQBRTYCDKTLG-JKSUJKDBSA-N 1 3 336.480 2.051 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(F)c1F ZINC000665885530 472226485 /nfs/dbraw/zinc/22/64/85/472226485.db2.gz JDLVYLZTBRYAIH-LBPRGKRZSA-N 1 3 328.407 2.358 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(F)c1F ZINC000665885530 472226488 /nfs/dbraw/zinc/22/64/88/472226488.db2.gz JDLVYLZTBRYAIH-LBPRGKRZSA-N 1 3 328.407 2.358 10 0 EEAEHO O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)C1(NC2CC2)CCC1 ZINC000662785469 472251094 /nfs/dbraw/zinc/25/10/94/472251094.db2.gz PFCUSMWCYNHZKF-QAPCUYQASA-N 1 3 345.462 2.310 10 0 EEAEHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000662881808 472289040 /nfs/dbraw/zinc/28/90/40/472289040.db2.gz BKRFQRUGZDXWTL-DKIMLUQUSA-N 1 3 329.444 2.207 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1c1cccnc1 ZINC000665637622 485612967 /nfs/dbraw/zinc/61/29/67/485612967.db2.gz JDEJCHUTBMZCLT-WMZOPIPTSA-N 1 3 347.507 2.200 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1c1cccnc1 ZINC000665637622 485612973 /nfs/dbraw/zinc/61/29/73/485612973.db2.gz JDEJCHUTBMZCLT-WMZOPIPTSA-N 1 3 347.507 2.200 10 0 EEAEHO COc1ccc([C@H](NCC2(N(C)C)CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422727356 536930200 /nfs/dbraw/zinc/93/02/00/536930200.db2.gz HHBJVCADLKFURD-OALUTQOASA-N 1 3 347.503 2.189 10 0 EEAEHO CN(C)CCNC(=S)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000777483042 577479517 /nfs/dbraw/zinc/47/95/17/577479517.db2.gz IYZUZRKRXKMXFL-GOSISDBHSA-N 1 3 334.533 2.067 10 0 EEAEHO CN(C)CCNC(=S)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000777483042 577479518 /nfs/dbraw/zinc/47/95/18/577479518.db2.gz IYZUZRKRXKMXFL-GOSISDBHSA-N 1 3 334.533 2.067 10 0 EEAEHO COCCN(Cc1cnc2onc(C)c2c1)CC1CC[NH+](C)CC1 ZINC000895417023 684593360 /nfs/dbraw/zinc/59/33/60/684593360.db2.gz LPPXUHJXWUABKE-UHFFFAOYSA-N 1 3 332.448 2.321 10 0 EEAEHO COc1ccc([C@H](NC(C)C)C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000896109627 684844648 /nfs/dbraw/zinc/84/46/48/684844648.db2.gz KDGVIYGWPZFRLQ-AEFFLSMTSA-N 1 3 333.476 2.287 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)Nc3c[nH]nc3Cl)CC2)CC1 ZINC000897645070 691722340 /nfs/dbraw/zinc/72/23/40/691722340.db2.gz ZDWHRZXXKAGWFN-UHFFFAOYSA-N 1 3 339.871 2.198 10 0 EEAEHO CN(CC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21)C1CCC1 ZINC001485605373 1191857754 /nfs/dbraw/zinc/85/77/54/1191857754.db2.gz WOJWGLHLFWSDAU-LDLYASANSA-N 1 3 345.462 2.104 10 0 EEAEHO CN(CC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21)C1CCC1 ZINC001485605373 1191857756 /nfs/dbraw/zinc/85/77/56/1191857756.db2.gz WOJWGLHLFWSDAU-LDLYASANSA-N 1 3 345.462 2.104 10 0 EEAEHO Cc1cnc([C@H](C)[NH2+]CCC[C@H](C)NC(=O)C2(N(C)C)CCC2)cn1 ZINC001485723422 1191910332 /nfs/dbraw/zinc/91/03/32/1191910332.db2.gz DHSPKMGONUCZDN-HOCLYGCPSA-N 1 3 347.507 2.205 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CCC(F)(F)F)C2)C1 ZINC001266807397 1177464378 /nfs/dbraw/zinc/46/43/78/1177464378.db2.gz KIZJYUDILIOCPO-ZIAGYGMSSA-N 1 3 335.414 2.109 10 0 EEAEHO O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCN(Cc2cccnc2)C1 ZINC001691173525 1177672458 /nfs/dbraw/zinc/67/24/58/1177672458.db2.gz HPLXHXUPPNKJMY-IBGZPJMESA-N 1 3 344.503 2.286 10 0 EEAEHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001266989074 1178045318 /nfs/dbraw/zinc/04/53/18/1178045318.db2.gz RVHWDFMGYFRJSG-OAHLLOKOSA-N 1 3 329.847 2.367 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCCCF)C1 ZINC001267069763 1178185261 /nfs/dbraw/zinc/18/52/61/1178185261.db2.gz CWZUTPPFNZGFGU-SJORKVTESA-N 1 3 327.488 2.439 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]CC[C@H]2CCc3ccccc32)C1 ZINC001267429197 1178995867 /nfs/dbraw/zinc/99/58/67/1178995867.db2.gz SEKSIGCPWCPDGU-PKOBYXMFSA-N 1 3 343.515 2.496 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)N2CCC(CCNC/C(Cl)=C\Cl)CC2)C1 ZINC001267919152 1180763791 /nfs/dbraw/zinc/76/37/91/1180763791.db2.gz RCDGVAJVAYSWME-GWQWUEFDSA-N 1 3 348.318 2.475 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)N2CCC(CCNC/C(Cl)=C\Cl)CC2)C1 ZINC001267919152 1180763796 /nfs/dbraw/zinc/76/37/96/1180763796.db2.gz RCDGVAJVAYSWME-GWQWUEFDSA-N 1 3 348.318 2.475 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CCN(Cc3conc3C)C2)CC[N@@H+]1C ZINC001481430281 1181316792 /nfs/dbraw/zinc/31/67/92/1181316792.db2.gz AXEADKYPIUDBED-BPQIPLTHSA-N 1 3 348.491 2.042 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CCN(Cc3conc3C)C2)CC[N@H+]1C ZINC001481430281 1181316799 /nfs/dbraw/zinc/31/67/99/1181316799.db2.gz AXEADKYPIUDBED-BPQIPLTHSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1cccnc1C[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC001268166397 1181905278 /nfs/dbraw/zinc/90/52/78/1181905278.db2.gz SNWWVFWGMKQPMR-SFHVURJKSA-N 1 3 344.503 2.347 10 0 EEAEHO CCN(CC[NH2+]CCc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C ZINC001268439715 1182615161 /nfs/dbraw/zinc/61/51/61/1182615161.db2.gz SQWKFEVFBRCNHB-QGZVFWFLSA-N 1 3 337.895 2.415 10 0 EEAEHO Cc1nc(CN[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)c(C)s1 ZINC001482023707 1183152931 /nfs/dbraw/zinc/15/29/31/1183152931.db2.gz YRJYXSNNQXCRHZ-SHTZXODSSA-N 1 3 338.521 2.229 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001268520349 1183168893 /nfs/dbraw/zinc/16/88/93/1183168893.db2.gz CCXUJLPNAZIHPX-OKMFUNFZSA-N 1 3 341.499 2.148 10 0 EEAEHO Cc1ncoc1CNCCCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001268802220 1183720430 /nfs/dbraw/zinc/72/04/30/1183720430.db2.gz QXMRNKSRPNRLOW-MRXNPFEDSA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1ncoc1CNCCCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001268802220 1183720434 /nfs/dbraw/zinc/72/04/34/1183720434.db2.gz QXMRNKSRPNRLOW-MRXNPFEDSA-N 1 3 336.480 2.042 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(Cl)nc1 ZINC001271216786 1186087933 /nfs/dbraw/zinc/08/79/33/1186087933.db2.gz PZCBJKBERIEMLX-ZDUSSCGKSA-N 1 3 326.872 2.012 10 0 EEAEHO CN(CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cccnc1)C1CCC1 ZINC001271544194 1186303444 /nfs/dbraw/zinc/30/34/44/1186303444.db2.gz OEZQSCNBCHAFLX-IBGZPJMESA-N 1 3 344.503 2.427 10 0 EEAEHO CC(C)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC=C(Cl)Cl ZINC001482553084 1186698479 /nfs/dbraw/zinc/69/84/79/1186698479.db2.gz KCDDWUSLRWRPSK-CHWSQXEVSA-N 1 3 336.307 2.378 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2ccnc(Cl)c2)CC[N@@H+]1C ZINC001483129403 1188613070 /nfs/dbraw/zinc/61/30/70/1188613070.db2.gz XQAIPEBHIJPYLO-VHDGCEQUSA-N 1 3 338.883 2.060 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2ccnc(Cl)c2)CC[N@H+]1C ZINC001483129403 1188613072 /nfs/dbraw/zinc/61/30/72/1188613072.db2.gz XQAIPEBHIJPYLO-VHDGCEQUSA-N 1 3 338.883 2.060 10 0 EEAEHO Cc1ncc(CNC[C@@H](C)NC(=O)CCC[NH+]2CCCCC2)s1 ZINC001483197090 1189087984 /nfs/dbraw/zinc/08/79/84/1189087984.db2.gz VKRGXZRHQQTPHD-CQSZACIVSA-N 1 3 338.521 2.312 10 0 EEAEHO Cc1nn(C(C)C)cc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001409473917 1189780032 /nfs/dbraw/zinc/78/00/32/1189780032.db2.gz OUGIACCVVWVAFI-HUUCEWRRSA-N 1 3 337.512 2.095 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CCC1CCOCC1 ZINC001483422022 1190469999 /nfs/dbraw/zinc/46/99/99/1190469999.db2.gz UDSBOBYJRRQMAE-SJLPKXTDSA-N 1 3 339.524 2.114 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CCC1CCOCC1 ZINC001483422022 1190470003 /nfs/dbraw/zinc/47/00/03/1190470003.db2.gz UDSBOBYJRRQMAE-SJLPKXTDSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)NC1(C[NH2+]C[C@@H]2CCCCO2)CCCCC1 ZINC001409789517 1190620952 /nfs/dbraw/zinc/62/09/52/1190620952.db2.gz PWDAKFHTVYWBOW-KRWDZBQOSA-N 1 3 339.524 2.304 10 0 EEAEHO Cc1cccnc1CN[C@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001486130367 1193689930 /nfs/dbraw/zinc/68/99/30/1193689930.db2.gz RBBZRZSHTHDLMW-IRXDYDNUSA-N 1 3 332.492 2.201 10 0 EEAEHO O=C(C[NH+]1CCCC1)NCC1(NCc2sccc2Cl)CC1 ZINC001483791489 1191031651 /nfs/dbraw/zinc/03/16/51/1191031651.db2.gz WDDIEGHTNZEILT-UHFFFAOYSA-N 1 3 327.881 2.236 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnc(C)s2)C[C@@H]1C ZINC001483915743 1191115018 /nfs/dbraw/zinc/11/50/18/1191115018.db2.gz HYHHMTCCBMCZHP-DZGCQCFKSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1ncc(CN[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C2)o1 ZINC001483915885 1191115215 /nfs/dbraw/zinc/11/52/15/1191115215.db2.gz JFANFSFOTTXFBZ-GOEBONIOSA-N 1 3 336.480 2.184 10 0 EEAEHO CC[C@@H](F)CN1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001484136411 1191227748 /nfs/dbraw/zinc/22/77/48/1191227748.db2.gz GEWGOLBOTNPICV-BZUAXINKSA-N 1 3 327.488 2.293 10 0 EEAEHO CC[C@@H](F)CN1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001484136411 1191227751 /nfs/dbraw/zinc/22/77/51/1191227751.db2.gz GEWGOLBOTNPICV-BZUAXINKSA-N 1 3 327.488 2.293 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CCOCC)CC1 ZINC001484136740 1191228095 /nfs/dbraw/zinc/22/80/95/1191228095.db2.gz CSRSSSOHYYETOL-QGZVFWFLSA-N 1 3 339.524 2.116 10 0 EEAEHO COc1cccc(CN2C[C@@H]3CCCN(C(=O)CC[NH+](C)C)[C@@H]3C2)c1 ZINC001484472764 1191377918 /nfs/dbraw/zinc/37/79/18/1191377918.db2.gz IXWNUVBLMZKMJY-PKOBYXMFSA-N 1 3 345.487 2.070 10 0 EEAEHO COCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001485479840 1191806852 /nfs/dbraw/zinc/80/68/52/1191806852.db2.gz HXBPIVZKXPUFRJ-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO COCCC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001485479840 1191806854 /nfs/dbraw/zinc/80/68/54/1191806854.db2.gz HXBPIVZKXPUFRJ-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO Cc1cncc(CN2CCCCC[C@H]2CNC(=O)CC[NH+](C)C)c1 ZINC001485482668 1191809186 /nfs/dbraw/zinc/80/91/86/1191809186.db2.gz QFLXLLYFYXTNDX-SFHVURJKSA-N 1 3 332.492 2.203 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCC2CCOCC2)C1 ZINC001486221616 1193759244 /nfs/dbraw/zinc/75/92/44/1193759244.db2.gz UWVYXYHKKFEISJ-MSOLQXFVSA-N 1 3 339.524 2.018 10 0 EEAEHO CO[C@@H](C[NH2+]C1CC(N(C)C(=O)CN(C)C(C)C)C1)c1ccccc1 ZINC001486483136 1193997216 /nfs/dbraw/zinc/99/72/16/1193997216.db2.gz CGHFYSFQXIJSAJ-ACBHZAAOSA-N 1 3 347.503 2.293 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)[C@@H](CNCc1cncs1)C1CC1)[NH+](C)C ZINC001410339938 1197728749 /nfs/dbraw/zinc/72/87/49/1197728749.db2.gz ZVWVKTPOLNDMEV-HOTGVXAUSA-N 1 3 338.521 2.056 10 0 EEAEHO COCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001410378071 1197772102 /nfs/dbraw/zinc/77/21/02/1197772102.db2.gz GKFCXDPMOQGUGP-INIZCTEOSA-N 1 3 347.503 2.254 10 0 EEAEHO COC(=O)c1cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1C ZINC000872144285 1198054435 /nfs/dbraw/zinc/05/44/35/1198054435.db2.gz FPPSXICKMOBJAL-MOPGFXCFSA-N 1 3 346.471 2.500 10 0 EEAEHO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N(C)CCCCCC[NH3+] ZINC000872155128 1198061309 /nfs/dbraw/zinc/06/13/09/1198061309.db2.gz DITPJCNDFHOFGF-GOSISDBHSA-N 1 3 346.519 2.175 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2F)[C@@H]1C ZINC001410844706 1198495180 /nfs/dbraw/zinc/49/51/80/1198495180.db2.gz JKTQHYWZWCPXHF-MAUKXSAKSA-N 1 3 335.467 2.287 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000810367290 1199451254 /nfs/dbraw/zinc/45/12/54/1199451254.db2.gz JEEYZMQQIFEQHA-MAUKXSAKSA-N 1 3 325.472 2.286 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000810701648 1199684097 /nfs/dbraw/zinc/68/40/97/1199684097.db2.gz QFYKOXHXBDTQPJ-GOSISDBHSA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1ccc(CNC/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1F ZINC001274104957 1204373914 /nfs/dbraw/zinc/37/39/14/1204373914.db2.gz FNKZCAKGXCZJLJ-DKFQHHCZSA-N 1 3 335.467 2.482 10 0 EEAEHO COc1ccc(CNC/C=C/CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001274310276 1204993117 /nfs/dbraw/zinc/99/31/17/1204993117.db2.gz OKNNIVNZSYMNHS-NCWIEVAOSA-N 1 3 345.487 2.188 10 0 EEAEHO COc1ccc(CNC/C=C/CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001274310276 1204993118 /nfs/dbraw/zinc/99/31/18/1204993118.db2.gz OKNNIVNZSYMNHS-NCWIEVAOSA-N 1 3 345.487 2.188 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001274610774 1205097110 /nfs/dbraw/zinc/09/71/10/1205097110.db2.gz QOZPQVGKKBKVNP-PHWHVTFISA-N 1 3 344.503 2.272 10 0 EEAEHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2cccc(Cl)n2)C1)N(C)C ZINC001275311041 1205306332 /nfs/dbraw/zinc/30/63/32/1205306332.db2.gz WPCJXLISIJTETQ-ZALBZXLWSA-N 1 3 338.883 2.060 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CCN1C ZINC000925326510 1206097926 /nfs/dbraw/zinc/09/79/26/1206097926.db2.gz MEXHQQAZHIISCO-APWZRJJASA-N 1 3 344.503 2.385 10 0 EEAEHO Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCN(C)[C@H]2C)c1 ZINC000925327510 1206098013 /nfs/dbraw/zinc/09/80/13/1206098013.db2.gz GCMIFKBRMVIDBG-FUHWJXTLSA-N 1 3 332.492 2.161 10 0 EEAEHO CC[NH+](CC)CCO[C@H]1CCN(C[C@@](O)(CC)C(F)(F)F)C1 ZINC000929771142 1206500485 /nfs/dbraw/zinc/50/04/85/1206500485.db2.gz KLMKNFATAAWXRG-KBPBESRZSA-N 1 3 326.403 2.123 10 0 EEAEHO CCN1CCN(c2ccc(F)cc2[C@H](C)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903458728 1240530260 /nfs/dbraw/zinc/53/02/60/1240530260.db2.gz IHYIDBHPZAPYQK-IKGGRYGDSA-N 1 3 348.510 2.474 10 0 EEAEHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000903564965 1240956626 /nfs/dbraw/zinc/95/66/26/1240956626.db2.gz ALHFNRBPXFVNGZ-SQNIBIBYSA-N 1 3 345.512 2.329 10 0 EEAEHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000903564965 1240956632 /nfs/dbraw/zinc/95/66/32/1240956632.db2.gz ALHFNRBPXFVNGZ-SQNIBIBYSA-N 1 3 345.512 2.329 10 0 EEAEHO COc1ccc(C[C@H](C)NC[C@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000903958229 1242724217 /nfs/dbraw/zinc/72/42/17/1242724217.db2.gz XJXAPRUKJCGCAL-GXTWGEPZSA-N 1 3 328.403 2.469 10 0 EEAEHO CC(C)=CCN1CCCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001491231299 1258833988 /nfs/dbraw/zinc/83/39/88/1258833988.db2.gz YQSMYCKBDWVTRF-QGZVFWFLSA-N 1 3 337.508 2.034 10 0 EEAEHO Cc1ccncc1CN(C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001490233670 1291049987 /nfs/dbraw/zinc/04/99/87/1291049987.db2.gz RHXGUTQOXPMNMM-UHFFFAOYSA-N 1 3 332.492 2.203 10 0 EEAEHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C1CC[NH+](C)CC1 ZINC000854514019 1292825267 /nfs/dbraw/zinc/82/52/67/1292825267.db2.gz UTRZPTAYUSDLMC-IEBWSBKVSA-N 1 3 327.472 2.471 10 0 EEAEHO CCN(C)Cc1cc(O[C@H]2CCN(CC[NH+]3CCCCC3)C2)ccn1 ZINC000856585697 1293572576 /nfs/dbraw/zinc/57/25/76/1293572576.db2.gz LZYKJSDBYYILPQ-FQEVSTJZSA-N 1 3 346.519 2.472 10 0 EEAEHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H](O)C3CC3)C2)ccn1 ZINC000856606071 1293580066 /nfs/dbraw/zinc/58/00/66/1293580066.db2.gz GXIPLAGOMGXNDR-RTBURBONSA-N 1 3 333.476 2.146 10 0 EEAEHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H](O)C3CC3)C2)ccn1 ZINC000856606071 1293580068 /nfs/dbraw/zinc/58/00/68/1293580068.db2.gz GXIPLAGOMGXNDR-RTBURBONSA-N 1 3 333.476 2.146 10 0 EEAEHO COC(=O)C1=CC[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000863542900 1296326795 /nfs/dbraw/zinc/32/67/95/1296326795.db2.gz UGDHXGTVCAQCAV-URLQWDBASA-N 1 3 328.412 2.094 10 0 EEAEHO CC[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1[NH2+]CCOC ZINC001276774279 1297587128 /nfs/dbraw/zinc/58/71/28/1297587128.db2.gz XOADYRHVVVSVLC-PKOBYXMFSA-N 1 3 347.503 2.225 10 0 EEAEHO CCc1nc(C)c(CNCCC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)o1 ZINC001277335363 1302477608 /nfs/dbraw/zinc/47/76/08/1302477608.db2.gz NHPHYXQMDYOTKO-AWEZNQCLSA-N 1 3 348.491 2.016 10 0 EEAEHO CCOCCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001277345365 1302549232 /nfs/dbraw/zinc/54/92/32/1302549232.db2.gz JMSYFIOEPJMKAQ-MSOLQXFVSA-N 1 3 349.519 2.107 10 0 EEAEHO CC[C@H](C(=O)N1CCC([N@H+](C)CCCOC(C)C)CC1)N(C)C ZINC001277411586 1302919437 /nfs/dbraw/zinc/91/94/37/1302919437.db2.gz LYHOGFPMYVKRFP-QGZVFWFLSA-N 1 3 327.513 2.065 10 0 EEAEHO CC[C@H](C(=O)N1CCC([N@@H+](C)CCCOC(C)C)CC1)N(C)C ZINC001277411586 1302919443 /nfs/dbraw/zinc/91/94/43/1302919443.db2.gz LYHOGFPMYVKRFP-QGZVFWFLSA-N 1 3 327.513 2.065 10 0 EEAEHO CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC001413819116 1303144931 /nfs/dbraw/zinc/14/49/31/1303144931.db2.gz QLWKSFJRSZTZJM-NXHRZFHOSA-N 1 3 332.492 2.413 10 0 EEAEHO CC[N@@H+](C)[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC001413819116 1303144936 /nfs/dbraw/zinc/14/49/36/1303144936.db2.gz QLWKSFJRSZTZJM-NXHRZFHOSA-N 1 3 332.492 2.413 10 0 EEAEHO C[C@H](NC(=O)C(C)(C)N1CCCC1)C1C[NH+](CCCCCF)C1 ZINC001276414891 1321929273 /nfs/dbraw/zinc/92/92/73/1321929273.db2.gz ZEKDLXSOXRJXQP-HNNXBMFYSA-N 1 3 327.488 2.437 10 0 EEAEHO COCCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001265702657 1323336233 /nfs/dbraw/zinc/33/62/33/1323336233.db2.gz GKGKQYCDOAKOOI-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001265702657 1323336242 /nfs/dbraw/zinc/33/62/42/1323336242.db2.gz GKGKQYCDOAKOOI-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)[C@H](C(=O)NCCCN(C)Cc1ccc(Cl)nc1)[NH+](C)C ZINC001265956564 1323518224 /nfs/dbraw/zinc/51/82/24/1323518224.db2.gz SETNTNAOTXPHOB-MRXNPFEDSA-N 1 3 340.899 2.259 10 0 EEAEHO Cc1ncoc1C[N@H+]1CCC[C@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001266219113 1323788906 /nfs/dbraw/zinc/78/89/06/1323788906.db2.gz DBEZNJMDEFDFTM-MRXNPFEDSA-N 1 3 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CCc1cccc(OCC[NH2+][C@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)c1 ZINC001317307800 1332173203 /nfs/dbraw/zinc/17/32/03/1332173203.db2.gz SGNIPBIZEICVFA-HKUYNNGSSA-N 1 3 347.503 2.159 10 0 EEAEHO Cc1ccc(C)c(OCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001319437598 1332701149 /nfs/dbraw/zinc/70/11/49/1332701149.db2.gz WEEIUGUKFAFJIO-ROUUACIJSA-N 1 3 347.503 2.213 10 0 EEAEHO CC(C)(C(=O)N[C@@H]1CCC[C@H]1C[NH2+]C/C=C\Cl)N1CCCC1 ZINC001320150945 1332839106 /nfs/dbraw/zinc/83/91/06/1332839106.db2.gz DYRHKUDGBNOQGB-XDHNQJSPSA-N 1 3 327.900 2.488 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1sc(C)nc1C)N(C)C ZINC001320463044 1332889043 /nfs/dbraw/zinc/88/90/43/1332889043.db2.gz DGKZKRQPLUHGER-BXUZGUMPSA-N 1 3 326.510 2.085 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001320891449 1332973378 /nfs/dbraw/zinc/97/33/78/1332973378.db2.gz JHBIVEBQOODZFJ-HKUYNNGSSA-N 1 3 346.519 2.449 10 0 EEAEHO Cc1cncc(CNC/C=C\CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)c1 ZINC001321284673 1333064191 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CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CCc2cccs2)C1)N(C)C ZINC001672897698 1356610309 /nfs/dbraw/zinc/61/03/09/1356610309.db2.gz VDFWXIYRAFPXFX-RDJZCZTQSA-N 1 3 337.533 2.459 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+]CCc2cccs2)C1 ZINC001672916382 1356613886 /nfs/dbraw/zinc/61/38/86/1356613886.db2.gz OZSRDTNVIGTIHE-MRXNPFEDSA-N 1 3 337.533 2.459 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CCOC2CCC2)CCC1 ZINC001673168487 1356651324 /nfs/dbraw/zinc/65/13/24/1356651324.db2.gz NPBPNJBDPVUOLS-KRWDZBQOSA-N 1 3 337.508 2.057 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001698862498 1405117812 /nfs/dbraw/zinc/11/78/12/1405117812.db2.gz ZJFGPIXATCQBNF-CHWSQXEVSA-N 1 3 338.323 2.347 10 0 EEAEHO Cc1cccc2c1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C2 ZINC000820074960 785798651 /nfs/dbraw/zinc/79/86/51/785798651.db2.gz PMVWMYBAYYIKJL-KRWDZBQOSA-N 1 3 346.519 2.335 10 0 EEAEHO Cc1cccc2c1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C2 ZINC000820074960 785798658 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10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H](CN(C)CCF)C2)C1 ZINC001436836577 1088463878 /nfs/dbraw/zinc/46/38/78/1088463878.db2.gz ATFZKQQHRXERFS-IRXDYDNUSA-N 1 3 327.488 2.248 10 0 EEAEHO Cc1ncsc1CN(C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001438005808 1090605251 /nfs/dbraw/zinc/60/52/51/1090605251.db2.gz YJECYGROWNVWSZ-UHFFFAOYSA-N 1 3 338.521 2.074 10 0 EEAEHO CCC(CC)CN1CCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001438583516 1091070890 /nfs/dbraw/zinc/07/08/90/1091070890.db2.gz VYSOLCGVINSPSD-QGZVFWFLSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CNCc1cncs1)C1CC1 ZINC001445958061 1091904077 /nfs/dbraw/zinc/90/40/77/1091904077.db2.gz XQJKIHPEIBYRHD-JKSUJKDBSA-N 1 3 336.505 2.000 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CNCc1cncs1)C1CC1 ZINC001445958061 1091904084 /nfs/dbraw/zinc/90/40/84/1091904084.db2.gz XQJKIHPEIBYRHD-JKSUJKDBSA-N 1 3 336.505 2.000 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1cncs1)C1CC1 ZINC001445958061 1091904096 /nfs/dbraw/zinc/90/40/96/1091904096.db2.gz XQJKIHPEIBYRHD-JKSUJKDBSA-N 1 3 336.505 2.000 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCOC1CCC1 ZINC001439378111 1092120349 /nfs/dbraw/zinc/12/03/49/1092120349.db2.gz IDIRGKSCKVOKRB-AEFFLSMTSA-N 1 3 339.524 2.255 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCOC1CCC1 ZINC001439378111 1092120352 /nfs/dbraw/zinc/12/03/52/1092120352.db2.gz IDIRGKSCKVOKRB-AEFFLSMTSA-N 1 3 339.524 2.255 10 0 EEAEHO Cc1ncc(CNC[C@H]2CCCC[C@@H]2NC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001439416000 1092185089 /nfs/dbraw/zinc/18/50/89/1092185089.db2.gz FYVSPKDUCOXHSG-WBVHZDCISA-N 1 3 348.491 2.089 10 0 EEAEHO O=C(C[NH+]1CCCC1)NCC1(N[C@H]2CCc3c2c(F)ccc3F)CC1 ZINC001439666161 1092603997 /nfs/dbraw/zinc/60/39/97/1092603997.db2.gz BAIKATPJCXMLBA-INIZCTEOSA-N 1 3 349.425 2.286 10 0 EEAEHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnoc1C)N(C)C ZINC001440124146 1093185423 /nfs/dbraw/zinc/18/54/23/1093185423.db2.gz UHKJAXWAIMJXLZ-BZZMCLGOSA-N 1 3 348.491 2.182 10 0 EEAEHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnoc1C)N(C)C ZINC001440124146 1093185426 /nfs/dbraw/zinc/18/54/26/1093185426.db2.gz UHKJAXWAIMJXLZ-BZZMCLGOSA-N 1 3 348.491 2.182 10 0 EEAEHO Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]3C2)cc1 ZINC001448468560 1093480339 /nfs/dbraw/zinc/48/03/39/1093480339.db2.gz KZBQZPBFTOKLSA-LDLYASANSA-N 1 3 329.488 2.129 10 0 EEAEHO Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]3C2)cc1 ZINC001448468560 1093480346 /nfs/dbraw/zinc/48/03/46/1093480346.db2.gz KZBQZPBFTOKLSA-LDLYASANSA-N 1 3 329.488 2.129 10 0 EEAEHO O=C(N[C@H]1C[C@H](CNC/C(Cl)=C\Cl)C1)C12CCC[NH+]1CCC2 ZINC001448513619 1093541078 /nfs/dbraw/zinc/54/10/78/1093541078.db2.gz SANVGNNJVRXACH-ZAECQBEJSA-N 1 3 346.302 2.418 10 0 EEAEHO C[NH+](C)CCC(=O)N1C[C@H]2CCN(Cc3cccc(F)c3)C[C@H]2C1 ZINC001440446166 1093655744 /nfs/dbraw/zinc/65/57/44/1093655744.db2.gz IWEISISKTPPXHS-SJORKVTESA-N 1 3 333.451 2.058 10 0 EEAEHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC001440844306 1094101771 /nfs/dbraw/zinc/10/17/71/1094101771.db2.gz VYOFQNPBAIAHPA-JKSUJKDBSA-N 1 3 349.519 2.140 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cccnc1 ZINC001440981824 1094245150 /nfs/dbraw/zinc/24/51/50/1094245150.db2.gz DDYZQGMIJJXNTP-FUHWJXTLSA-N 1 3 332.492 2.281 10 0 EEAEHO CN(C/C=C\Cl)C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001441303310 1094750439 /nfs/dbraw/zinc/75/04/39/1094750439.db2.gz RPBDBMIIQWBHHX-FTWHOSCRSA-N 1 3 325.884 2.005 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCC(F)(F)C3)C2)CCC1 ZINC001441492388 1095171204 /nfs/dbraw/zinc/17/12/04/1095171204.db2.gz WPUDVDBLFGGLHZ-MCIONIFRSA-N 1 3 329.435 2.143 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)NCc2cccnc2)C1 ZINC001441566951 1095326340 /nfs/dbraw/zinc/32/63/40/1095326340.db2.gz LMLVYZPTMQOAAD-AEFFLSMTSA-N 1 3 332.492 2.140 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)NCc2cccnc2)C1 ZINC001441566951 1095326356 /nfs/dbraw/zinc/32/63/56/1095326356.db2.gz LMLVYZPTMQOAAD-AEFFLSMTSA-N 1 3 332.492 2.140 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(N(C)C)c2)[C@@H]1C ZINC001441817515 1095848700 /nfs/dbraw/zinc/84/87/00/1095848700.db2.gz KZDUZRAKMUHVOQ-QFBILLFUSA-N 1 3 346.519 2.172 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC2CC(F)(F)C2)C(C)(C)C1 ZINC001441934304 1096124952 /nfs/dbraw/zinc/12/49/52/1096124952.db2.gz OGFDJGICGZXESP-AWEZNQCLSA-N 1 3 331.451 2.200 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CNCc2c(F)cccc2F)C1 ZINC001442142305 1096388837 /nfs/dbraw/zinc/38/88/37/1096388837.db2.gz BKJWNIOIIWQNBZ-AWEZNQCLSA-N 1 3 339.430 2.245 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CNCc2c(F)cccc2F)C1 ZINC001442142305 1096388845 /nfs/dbraw/zinc/38/88/45/1096388845.db2.gz BKJWNIOIIWQNBZ-AWEZNQCLSA-N 1 3 339.430 2.245 10 0 EEAEHO CC[C@H](C[NH+]1CCC(C2(NC(=O)Cc3nc[nH]c3C)CC2)CC1)OC ZINC001442270232 1096575264 /nfs/dbraw/zinc/57/52/64/1096575264.db2.gz VIWJIMROEZVTEX-MRXNPFEDSA-N 1 3 348.491 2.046 10 0 EEAEHO COc1ccc(C)cc1C[NH2+][C@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001442295366 1096610969 /nfs/dbraw/zinc/61/09/69/1096610969.db2.gz NCTPYGIWVYNUPU-IAGOWNOFSA-N 1 3 347.503 2.330 10 0 EEAEHO C[C@H](C(=O)NC[C@@H]1CCN(Cc2cccnc2)C1)[NH+]1CCCCCC1 ZINC001442876547 1097269784 /nfs/dbraw/zinc/26/97/84/1097269784.db2.gz CWSAAUPJSMYQDK-MJGOQNOKSA-N 1 3 344.503 2.284 10 0 EEAEHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001443979363 1098496308 /nfs/dbraw/zinc/49/63/08/1098496308.db2.gz HSPYEWHFSGQIMT-CRAIPNDOSA-N 1 3 342.487 2.494 10 0 EEAEHO Cc1noc(C)c1C[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001479476018 1098557414 /nfs/dbraw/zinc/55/74/14/1098557414.db2.gz PQCACRJVTJYTIA-XOKHGSTOSA-N 1 3 348.491 2.008 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001479489114 1098562061 /nfs/dbraw/zinc/56/20/61/1098562061.db2.gz SIBIVGSOBDKXDL-NWDGAFQWSA-N 1 3 332.370 2.088 10 0 EEAEHO CCOCCCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001479906081 1099294188 /nfs/dbraw/zinc/29/41/88/1099294188.db2.gz LPAKUWILSVSSAR-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CCOCCCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001479906081 1099294193 /nfs/dbraw/zinc/29/41/93/1099294193.db2.gz LPAKUWILSVSSAR-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H](C(=O)NCC1([NH2+]CC[C@H]2CCCCO2)CCCC1)N(C)C ZINC001444536643 1099310095 /nfs/dbraw/zinc/31/00/95/1099310095.db2.gz NNEUULSQBMFDNS-SJORKVTESA-N 1 3 339.524 2.304 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001480173380 1099752072 /nfs/dbraw/zinc/75/20/72/1099752072.db2.gz HFHDLBVEEHLFCA-HBUWYVDXSA-N 1 3 333.451 2.390 10 0 EEAEHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001480209644 1099817209 /nfs/dbraw/zinc/81/72/09/1099817209.db2.gz YFCADCMYUWIHBL-BBWFWOEESA-N 1 3 333.451 2.437 10 0 EEAEHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001480209644 1099817217 /nfs/dbraw/zinc/81/72/17/1099817217.db2.gz YFCADCMYUWIHBL-BBWFWOEESA-N 1 3 333.451 2.437 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2CCC[N@H+](CCc3cccs3)C2)C1 ZINC001480263239 1099947857 /nfs/dbraw/zinc/94/78/57/1099947857.db2.gz MAQQCXFSEIQHDC-IAGOWNOFSA-N 1 3 349.544 2.461 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2CCC[N@@H+](CCc3cccs3)C2)C1 ZINC001480263239 1099947866 /nfs/dbraw/zinc/94/78/66/1099947866.db2.gz MAQQCXFSEIQHDC-IAGOWNOFSA-N 1 3 349.544 2.461 10 0 EEAEHO COc1cccc([C@H](C)N(C)CCN(C)C(=O)C23CC[NH+](CC2)C3)c1 ZINC001445070905 1100275235 /nfs/dbraw/zinc/27/52/35/1100275235.db2.gz IMHNUNIAIAEUQQ-INIZCTEOSA-N 1 3 345.487 2.242 10 0 EEAEHO CC[C@H](C[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCCC1)OC ZINC001495930913 1101781386 /nfs/dbraw/zinc/78/13/86/1101781386.db2.gz ULWCNPQKXXYKBM-MRXNPFEDSA-N 1 3 339.524 2.304 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)CNCc2cccnc2)C1 ZINC001496143699 1102130552 /nfs/dbraw/zinc/13/05/52/1102130552.db2.gz FBWMSESFEYPYIZ-WMZOPIPTSA-N 1 3 332.492 2.140 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)CNCc2cccnc2)C1 ZINC001496143699 1102130557 /nfs/dbraw/zinc/13/05/57/1102130557.db2.gz FBWMSESFEYPYIZ-WMZOPIPTSA-N 1 3 332.492 2.140 10 0 EEAEHO CCCN(C)CC(=O)N1CCC(C)([NH2+]Cc2nc(C)cs2)CC1 ZINC001447565413 1102874504 /nfs/dbraw/zinc/87/45/04/1102874504.db2.gz PRKHNROTFWJBRT-UHFFFAOYSA-N 1 3 338.521 2.264 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC001480597684 1106737334 /nfs/dbraw/zinc/73/73/34/1106737334.db2.gz SACVYOWXROUWLY-AEFFLSMTSA-N 1 3 347.503 2.472 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCc1ccccc1F ZINC001498196943 1107062988 /nfs/dbraw/zinc/06/29/88/1107062988.db2.gz COYCAWBNWIHXPD-YJBOKZPZSA-N 1 3 335.467 2.337 10 0 EEAEHO COc1cc(C[N@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C)ccc1C ZINC001498457545 1107568127 /nfs/dbraw/zinc/56/81/27/1107568127.db2.gz RSWSPVGCOCQHCD-INIZCTEOSA-N 1 3 335.492 2.280 10 0 EEAEHO COc1cc(C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C)ccc1C ZINC001498457545 1107568135 /nfs/dbraw/zinc/56/81/35/1107568135.db2.gz RSWSPVGCOCQHCD-INIZCTEOSA-N 1 3 335.492 2.280 10 0 EEAEHO Cc1cc(CNCC[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)on1 ZINC001501569428 1113386391 /nfs/dbraw/zinc/38/63/91/1113386391.db2.gz YANZJLBPJSDYQC-WMZOPIPTSA-N 1 3 348.491 2.184 10 0 EEAEHO Cc1cc(CNCC[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)on1 ZINC001501569428 1113386393 /nfs/dbraw/zinc/38/63/93/1113386393.db2.gz YANZJLBPJSDYQC-WMZOPIPTSA-N 1 3 348.491 2.184 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2cnc(C)s2)C1 ZINC001501640934 1113411324 /nfs/dbraw/zinc/41/13/24/1113411324.db2.gz MKHNBEBVBLNWHP-OAHLLOKOSA-N 1 3 338.521 2.122 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCCO)cc1 ZINC001501681826 1113432793 /nfs/dbraw/zinc/43/27/93/1113432793.db2.gz RJKYNWDNVVAMOM-APWZRJJASA-N 1 3 347.503 2.210 10 0 EEAEHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001505935258 1114288155 /nfs/dbraw/zinc/28/81/55/1114288155.db2.gz DKPAKOMKIOPJHJ-UONOGXRCSA-N 1 3 331.451 2.343 10 0 EEAEHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001505935258 1114288156 /nfs/dbraw/zinc/28/81/56/1114288156.db2.gz DKPAKOMKIOPJHJ-UONOGXRCSA-N 1 3 331.451 2.343 10 0 EEAEHO C[C@@H]1[C@H](NCc2cccnc2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001507299312 1115180483 /nfs/dbraw/zinc/18/04/83/1115180483.db2.gz VDXMNDGFDZEQTM-IEBWSBKVSA-N 1 3 344.503 2.427 10 0 EEAEHO CC[C@@H](C[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)CC1)OC ZINC001508083190 1115415866 /nfs/dbraw/zinc/41/58/66/1115415866.db2.gz OOSFFYTWGHTAMX-RYQLBKOJSA-N 1 3 341.540 2.214 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001568929392 1124960454 /nfs/dbraw/zinc/96/04/54/1124960454.db2.gz ZIHXIUIYORBEIP-ZMBJWTFHSA-N 1 3 344.503 2.415 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001568929392 1124960460 /nfs/dbraw/zinc/96/04/60/1124960460.db2.gz ZIHXIUIYORBEIP-ZMBJWTFHSA-N 1 3 344.503 2.415 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001568949875 1124982965 /nfs/dbraw/zinc/98/29/65/1124982965.db2.gz GMFZXLFJUTXTCQ-PKVWGGKHSA-N 1 3 344.503 2.272 10 0 EEAEHO CC(C)OCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001565873597 1125446656 /nfs/dbraw/zinc/44/66/56/1125446656.db2.gz GDNIXTYGSPYQDO-KZNAEPCWSA-N 1 3 339.524 2.160 10 0 EEAEHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000051759653 214103906 /nfs/dbraw/zinc/10/39/06/214103906.db2.gz BSUGHZZRNLUCMI-OAHLLOKOSA-N 1 3 345.491 2.000 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)[C@H]1c1ccccc1 ZINC000247986268 283124194 /nfs/dbraw/zinc/12/41/94/283124194.db2.gz IGVQUZSJUGVMAJ-GBESFXJTSA-N 1 3 342.487 2.312 10 0 EEAEHO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2F)CCNC3)CC[N@@H+]1C ZINC000415954900 239020763 /nfs/dbraw/zinc/02/07/63/239020763.db2.gz LEQXSLHUFIWIBZ-GXTWGEPZSA-N 1 3 334.439 2.418 10 0 EEAEHO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2F)CCNC3)CC[N@H+]1C ZINC000415954900 239020767 /nfs/dbraw/zinc/02/07/67/239020767.db2.gz LEQXSLHUFIWIBZ-GXTWGEPZSA-N 1 3 334.439 2.418 10 0 EEAEHO CCO[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)[C@H](C)N)[C@@H]1n1cccn1 ZINC000423146036 240382603 /nfs/dbraw/zinc/38/26/03/240382603.db2.gz NOVJWLXXYSLHKE-YYTXDEJISA-N 1 3 328.460 2.150 10 0 EEAEHO NC(=O)[C@@H](Cc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000273347155 256288635 /nfs/dbraw/zinc/28/86/35/256288635.db2.gz AHFGBHMEBLBASV-HXUWFJFHSA-N 1 3 337.467 2.469 10 0 EEAEHO c1nc2n(n1)C[C@@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000249036269 160371528 /nfs/dbraw/zinc/37/15/28/160371528.db2.gz SRWATTIZCCMJCQ-CADBVGFASA-N 1 3 337.471 2.378 10 0 EEAEHO c1nc2n(n1)C[C@@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000249036269 160371529 /nfs/dbraw/zinc/37/15/29/160371529.db2.gz SRWATTIZCCMJCQ-CADBVGFASA-N 1 3 337.471 2.378 10 0 EEAEHO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000107888027 159337690 /nfs/dbraw/zinc/33/76/90/159337690.db2.gz JJLFYLCKADAQIY-QZTJIDSGSA-N 1 3 347.478 2.496 10 0 EEAEHO CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000107888027 159337691 /nfs/dbraw/zinc/33/76/91/159337691.db2.gz JJLFYLCKADAQIY-QZTJIDSGSA-N 1 3 347.478 2.496 10 0 EEAEHO CN1C[C@@H]2C[N@@H+](CCc3nc(-c4ccc(Cl)cc4)no3)C[C@@H]2C1 ZINC000193615951 160183819 /nfs/dbraw/zinc/18/38/19/160183819.db2.gz QDNWWVFTYCDICO-OKILXGFUSA-N 1 3 332.835 2.426 10 0 EEAEHO CN1C[C@@H]2C[N@H+](CCc3nc(-c4ccc(Cl)cc4)no3)C[C@@H]2C1 ZINC000193615951 160183820 /nfs/dbraw/zinc/18/38/20/160183820.db2.gz QDNWWVFTYCDICO-OKILXGFUSA-N 1 3 332.835 2.426 10 0 EEAEHO CC[NH+](CC)Cc1cccc(CN[C@@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000422691900 276110190 /nfs/dbraw/zinc/11/01/90/276110190.db2.gz JCNBGVMZJNMSKR-PMACEKPBSA-N 1 3 331.504 2.385 10 0 EEAEHO COCCN(C)c1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cn1 ZINC000414813114 313095702 /nfs/dbraw/zinc/09/57/02/313095702.db2.gz LXRNASWHZGPFTH-HNNXBMFYSA-N 1 3 328.460 2.474 10 0 EEAEHO C[NH2+][C@@H]1CCN(C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000416910246 313357557 /nfs/dbraw/zinc/35/75/57/313357557.db2.gz ZCMHHVGKUXFLNN-GOSISDBHSA-N 1 3 330.476 2.176 10 0 EEAEHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000417630422 313551558 /nfs/dbraw/zinc/55/15/58/313551558.db2.gz QXHWQIHNWZPPIS-HLLBOEOZSA-N 1 3 332.492 2.413 10 0 EEAEHO c1cc2c(cc1CN1CCC(CO[C@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000530247684 317704522 /nfs/dbraw/zinc/70/45/22/317704522.db2.gz BTXZQOYTNZWDAZ-KRWDZBQOSA-N 1 3 332.444 2.048 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000541855804 318111950 /nfs/dbraw/zinc/11/19/50/318111950.db2.gz CPEGTZMACYBPIP-SFHVURJKSA-N 1 3 340.471 2.197 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000563374414 319002663 /nfs/dbraw/zinc/00/26/63/319002663.db2.gz PSTSYAYYQFKPSY-QGZVFWFLSA-N 1 3 345.487 2.119 10 0 EEAEHO COc1ccc(CN2CCC(C[NH2+]C[C@H](O)C(F)(F)F)CC2)cc1 ZINC000564847979 319117905 /nfs/dbraw/zinc/11/79/05/319117905.db2.gz RSZVLVLYOOCULO-INIZCTEOSA-N 1 3 346.393 2.420 10 0 EEAEHO CC(=O)c1ccc(OC[C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000564853981 319118713 /nfs/dbraw/zinc/11/87/13/319118713.db2.gz ICMGZQBSAMIOPV-XVLXNVKGSA-N 1 3 346.471 2.234 10 0 EEAEHO CC(=O)c1ccc(OC[C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000564853981 319118715 /nfs/dbraw/zinc/11/87/15/319118715.db2.gz ICMGZQBSAMIOPV-XVLXNVKGSA-N 1 3 346.471 2.234 10 0 EEAEHO CCN1CCCC[C@@H]1CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000575801468 320115377 /nfs/dbraw/zinc/11/53/77/320115377.db2.gz URQSPPLRZHMMPI-AEFFLSMTSA-N 1 3 330.476 2.129 10 0 EEAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000337312602 465299814 /nfs/dbraw/zinc/29/98/14/465299814.db2.gz FMJPMIJOSLNYLU-MSOLQXFVSA-N 1 3 325.541 2.131 10 0 EEAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000337312602 465299820 /nfs/dbraw/zinc/29/98/20/465299820.db2.gz FMJPMIJOSLNYLU-MSOLQXFVSA-N 1 3 325.541 2.131 10 0 EEAEHO O[C@H]1[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)CCC12CCOCC2 ZINC000298150394 465316345 /nfs/dbraw/zinc/31/63/45/465316345.db2.gz ROWIGLTVDGMHRM-APWZRJJASA-N 1 3 345.487 2.208 10 0 EEAEHO CCc1nn(C)c(CC)c1CN(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121156258 463089012 /nfs/dbraw/zinc/08/90/12/463089012.db2.gz WYZYBUDHWYXHJM-OAHLLOKOSA-N 1 3 336.524 2.070 10 0 EEAEHO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522832091 468376654 /nfs/dbraw/zinc/37/66/54/468376654.db2.gz GVIKMXGNASQYKY-HKUYNNGSSA-N 1 3 344.503 2.284 10 0 EEAEHO C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522832091 468376656 /nfs/dbraw/zinc/37/66/56/468376656.db2.gz GVIKMXGNASQYKY-HKUYNNGSSA-N 1 3 344.503 2.284 10 0 EEAEHO CN1CC[C@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000179191664 464077372 /nfs/dbraw/zinc/07/73/72/464077372.db2.gz LNYCYUWIUOKVBL-RBUKOAKNSA-N 1 3 344.503 2.463 10 0 EEAEHO C[N@@H+]1CCC[C@H](CNC(=O)CN)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237085618 464262682 /nfs/dbraw/zinc/26/26/82/464262682.db2.gz VEIWLERUJJYUHS-DOMZBBRYSA-N 1 3 329.366 2.163 10 0 EEAEHO C[N@H+]1CCC[C@H](CNC(=O)CN)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237085618 464262690 /nfs/dbraw/zinc/26/26/90/464262690.db2.gz VEIWLERUJJYUHS-DOMZBBRYSA-N 1 3 329.366 2.163 10 0 EEAEHO C[C@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000174833045 464455818 /nfs/dbraw/zinc/45/58/18/464455818.db2.gz CXQJCLNLRCVSSQ-MJGOQNOKSA-N 1 3 342.487 2.163 10 0 EEAEHO C[C@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000174833045 464455824 /nfs/dbraw/zinc/45/58/24/464455824.db2.gz CXQJCLNLRCVSSQ-MJGOQNOKSA-N 1 3 342.487 2.163 10 0 EEAEHO C[C@@H]1CCCCN1CCNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276343280 464897192 /nfs/dbraw/zinc/89/71/92/464897192.db2.gz SIZKGIHVJFJDME-QGZVFWFLSA-N 1 3 346.519 2.464 10 0 EEAEHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1OCCO ZINC000353451607 465891528 /nfs/dbraw/zinc/89/15/28/465891528.db2.gz AUPMAHCXFZGQNW-ZACQAIPSSA-N 1 3 334.460 2.029 10 0 EEAEHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)ccc1OCCO ZINC000353451607 465891537 /nfs/dbraw/zinc/89/15/37/465891537.db2.gz AUPMAHCXFZGQNW-ZACQAIPSSA-N 1 3 334.460 2.029 10 0 EEAEHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)ccc1OCCO ZINC000353451607 465891546 /nfs/dbraw/zinc/89/15/46/465891546.db2.gz AUPMAHCXFZGQNW-ZACQAIPSSA-N 1 3 334.460 2.029 10 0 EEAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCN2CCC1CC2)[NH+](C)C ZINC000357269546 465902766 /nfs/dbraw/zinc/90/27/66/465902766.db2.gz GNWMWYNUVJLDGZ-LPHOPBHVSA-N 1 3 344.503 2.476 10 0 EEAEHO CN1CCN(CC2(C)CC[NH+](C[C@@](C)(O)c3ccccc3)CC2)CC1 ZINC000371835185 466026844 /nfs/dbraw/zinc/02/68/44/466026844.db2.gz QZVQOGMVAFXEIZ-OAQYLSRUSA-N 1 3 345.531 2.244 10 0 EEAEHO C[C@@H](C[NH2+]CC(=O)NCCN1CCCCCC1)Cc1ccccc1 ZINC000353678021 466061220 /nfs/dbraw/zinc/06/12/20/466061220.db2.gz ZNDJKFJBRAIHKN-GOSISDBHSA-N 1 3 331.504 2.447 10 0 EEAEHO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1=CCN(C)CC1 ZINC000358116372 466470067 /nfs/dbraw/zinc/47/00/67/466470067.db2.gz SSQYPXDEGZKTFC-FUHWJXTLSA-N 1 3 334.508 2.297 10 0 EEAEHO C[C@H](N[C@H]1CNCCC1(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000423472774 466754718 /nfs/dbraw/zinc/75/47/18/466754718.db2.gz IDJFTNIAUFQIKB-BBRMVZONSA-N 1 3 327.419 2.275 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000417087930 466775974 /nfs/dbraw/zinc/77/59/74/466775974.db2.gz IRTYDVJPZGHUOP-QAPCUYQASA-N 1 3 344.503 2.121 10 0 EEAEHO CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417735613 466920940 /nfs/dbraw/zinc/92/09/40/466920940.db2.gz LKGWFLRSBMULFZ-LZWOXQAQSA-N 1 3 338.521 2.414 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000418572792 467130435 /nfs/dbraw/zinc/13/04/35/467130435.db2.gz KRDXOFGPLOQZJW-AOIWGVFYSA-N 1 3 344.503 2.290 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000418584990 467131773 /nfs/dbraw/zinc/13/17/73/467131773.db2.gz YAEYMWDNUBSBNM-LMMKCTJWSA-N 1 3 344.503 2.148 10 0 EEAEHO CCN(CC)C(=O)C1CC[NH+](C[C@H](CN)c2ccc(OC)cc2)CC1 ZINC000420301021 467343673 /nfs/dbraw/zinc/34/36/73/467343673.db2.gz KWZMXZQZHMYUND-SFHVURJKSA-N 1 3 347.503 2.318 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000382753435 467379555 /nfs/dbraw/zinc/37/95/55/467379555.db2.gz DSRBEJUXLREJSO-MJGOQNOKSA-N 1 3 329.488 2.499 10 0 EEAEHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@@H]1CCNC[C@H]1C ZINC000414946591 467456727 /nfs/dbraw/zinc/45/67/27/467456727.db2.gz UEHGHPXHVOIXQF-BXUZGUMPSA-N 1 3 332.400 2.316 10 0 EEAEHO CCCN1CCN(c2ccccc2CN[C@H](CC[NH3+])C(F)F)CC1 ZINC000414986938 467461485 /nfs/dbraw/zinc/46/14/85/467461485.db2.gz IBVYZUBPEXVUHA-MRXNPFEDSA-N 1 3 340.462 2.291 10 0 EEAEHO CO[C@@]1(CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CCOC1 ZINC000449251280 467625944 /nfs/dbraw/zinc/62/59/44/467625944.db2.gz PPNCLEDEGQXXSZ-YLJYHZDGSA-N 1 3 332.488 2.477 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000458341194 467811922 /nfs/dbraw/zinc/81/19/22/467811922.db2.gz KVCXKXRQGBLEEU-SCTDSRPQSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000458341194 467811924 /nfs/dbraw/zinc/81/19/24/467811924.db2.gz KVCXKXRQGBLEEU-SCTDSRPQSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@H]1CN(C(=O)NC2CC([NH+]3CCCCC3)C2)CCN(C2CC2)C1 ZINC000458751309 467891838 /nfs/dbraw/zinc/89/18/38/467891838.db2.gz UZXSPRFLHIAEDO-KLHKWILBSA-N 1 3 334.508 2.129 10 0 EEAEHO COCCOc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530247975 467968442 /nfs/dbraw/zinc/96/84/42/467968442.db2.gz FORMZJDLMGBWLQ-FQEVSTJZSA-N 1 3 348.487 2.302 10 0 EEAEHO c1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c2c(c1)OCCCO2 ZINC000530248328 467968455 /nfs/dbraw/zinc/96/84/55/467968455.db2.gz IZUCKQKTSMBCAB-GOSISDBHSA-N 1 3 346.471 2.438 10 0 EEAEHO CSCc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1F ZINC000531357924 468046976 /nfs/dbraw/zinc/04/69/76/468046976.db2.gz RHJXYLKZEPSCKJ-UHFFFAOYSA-N 1 3 341.496 2.254 10 0 EEAEHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccco1 ZINC000516916580 468055704 /nfs/dbraw/zinc/05/57/04/468055704.db2.gz VQEGIMNDBZZLIH-FCEWJHQRSA-N 1 3 348.491 2.494 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000570618207 468666064 /nfs/dbraw/zinc/66/60/64/468666064.db2.gz CYFUEBKDZMQZAB-UHFFFAOYSA-N 1 3 332.492 2.199 10 0 EEAEHO C[C@H](CSCCF)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000595075293 468753219 /nfs/dbraw/zinc/75/32/19/468753219.db2.gz YEOUQHQQHMVWOI-PBHICJAKSA-N 1 3 326.481 2.434 10 0 EEAEHO C[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)N(C)Cc1ccccc1 ZINC000562800621 469076171 /nfs/dbraw/zinc/07/61/71/469076171.db2.gz KMXSOFZIGJHBEP-YLJYHZDGSA-N 1 3 344.503 2.292 10 0 EEAEHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000629520256 469571575 /nfs/dbraw/zinc/57/15/75/469571575.db2.gz DUJGXPLGQPUXPE-CYBMUJFWSA-N 1 3 332.448 2.129 10 0 EEAEHO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000629604656 469590444 /nfs/dbraw/zinc/59/04/44/469590444.db2.gz XQCKJMGYZBTQGD-PMACEKPBSA-N 1 3 331.504 2.086 10 0 EEAEHO C[N@@H+]1CC[C@H](NC[C@H]2CN(Cc3ccccc3)CCO2)CC1(C)C ZINC000623340468 469630046 /nfs/dbraw/zinc/63/00/46/469630046.db2.gz JGLMWIPTSARQTG-OALUTQOASA-N 1 3 331.504 2.350 10 0 EEAEHO C[N@H+]1CC[C@H](NC[C@H]2CN(Cc3ccccc3)CCO2)CC1(C)C ZINC000623340468 469630049 /nfs/dbraw/zinc/63/00/49/469630049.db2.gz JGLMWIPTSARQTG-OALUTQOASA-N 1 3 331.504 2.350 10 0 EEAEHO CN(C)C(=O)COc1cccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)c1 ZINC000623362214 469635563 /nfs/dbraw/zinc/63/55/63/469635563.db2.gz KJEXXJADVRJTRP-INIZCTEOSA-N 1 3 333.476 2.116 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(C(F)(F)F)cn1 ZINC000617504313 469701010 /nfs/dbraw/zinc/70/10/10/469701010.db2.gz PNMWMPBTKWDVPM-LBPRGKRZSA-N 1 3 346.397 2.102 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(C(F)(F)F)cn1 ZINC000617504313 469701013 /nfs/dbraw/zinc/70/10/13/469701013.db2.gz PNMWMPBTKWDVPM-LBPRGKRZSA-N 1 3 346.397 2.102 10 0 EEAEHO Cc1cc2ccccc2n1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504221 469701126 /nfs/dbraw/zinc/70/11/26/469701126.db2.gz LGZOSRPTVHUNGV-INIZCTEOSA-N 1 3 344.503 2.338 10 0 EEAEHO Cc1cc2ccccc2n1CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504221 469701131 /nfs/dbraw/zinc/70/11/31/469701131.db2.gz LGZOSRPTVHUNGV-INIZCTEOSA-N 1 3 344.503 2.338 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)C[NH2+]1 ZINC000626916701 469753844 /nfs/dbraw/zinc/75/38/44/469753844.db2.gz OMWRJKYJRTURTG-BPQIPLTHSA-N 1 3 330.476 2.263 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)NCC2(N(C)Cc3ccccc3)CCC2)C[NH2+]1 ZINC000627050189 469802229 /nfs/dbraw/zinc/80/22/29/469802229.db2.gz DRSWJONYYGFSEG-AEFFLSMTSA-N 1 3 344.503 2.481 10 0 EEAEHO C[C@H]1CC[C@H](NC(=O)N(CCCc2ccccc2)CCN(C)C)C[NH2+]1 ZINC000627195494 469840849 /nfs/dbraw/zinc/84/08/49/469840849.db2.gz LGCUVNKDYFNEKF-HKUYNNGSSA-N 1 3 346.519 2.333 10 0 EEAEHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCN(C)C1 ZINC000608648239 469853000 /nfs/dbraw/zinc/85/30/00/469853000.db2.gz PQYUOLGPAKJWGX-RTBURBONSA-N 1 3 344.503 2.244 10 0 EEAEHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCN(C)C1 ZINC000608648239 469853004 /nfs/dbraw/zinc/85/30/04/469853004.db2.gz PQYUOLGPAKJWGX-RTBURBONSA-N 1 3 344.503 2.244 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000625284573 470112024 /nfs/dbraw/zinc/11/20/24/470112024.db2.gz AYVNFJWNEMGNFX-FGTMMUONSA-N 1 3 349.906 2.178 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000628746200 470148415 /nfs/dbraw/zinc/14/84/15/470148415.db2.gz YUSOJAQSPPSGHS-MRXNPFEDSA-N 1 3 333.476 2.089 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000628746200 470148417 /nfs/dbraw/zinc/14/84/17/470148417.db2.gz YUSOJAQSPPSGHS-MRXNPFEDSA-N 1 3 333.476 2.089 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)COC2(C)CNC2)cc1 ZINC000649288492 470530172 /nfs/dbraw/zinc/53/01/72/470530172.db2.gz VELGUOPCMKWJQO-MRXNPFEDSA-N 1 3 345.487 2.056 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)COC2(C)CNC2)cc1 ZINC000649288492 470530177 /nfs/dbraw/zinc/53/01/77/470530177.db2.gz VELGUOPCMKWJQO-MRXNPFEDSA-N 1 3 345.487 2.056 10 0 EEAEHO CCN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000649305973 470538265 /nfs/dbraw/zinc/53/82/65/470538265.db2.gz RHFBLKBDJCHBQW-DBDQLMEASA-N 1 3 327.472 2.136 10 0 EEAEHO CNC(=O)[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000647804433 470988671 /nfs/dbraw/zinc/98/86/71/470988671.db2.gz QPKNKWVFCGMPLK-DYEKYZERSA-N 1 3 345.409 2.326 10 0 EEAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCCNC2=O)CC1 ZINC000657276330 471082408 /nfs/dbraw/zinc/08/24/08/471082408.db2.gz AUYLHZIUOJBBFZ-WMZOPIPTSA-N 1 3 329.488 2.198 10 0 EEAEHO CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1F ZINC000651256600 471105854 /nfs/dbraw/zinc/10/58/54/471105854.db2.gz HYMSWZOGLAHNHO-KRWDZBQOSA-N 1 3 338.471 2.412 10 0 EEAEHO c1cc(N2CCN(CCC[NH2+][C@H]3CCCSCC3)CC2)ccn1 ZINC000657863588 471242229 /nfs/dbraw/zinc/24/22/29/471242229.db2.gz LCMMCQFTWBMBJO-KRWDZBQOSA-N 1 3 334.533 2.469 10 0 EEAEHO C[C@@H]1C[C@@H](NC2(CN3CCN(c4ccccc4)CC3)CC2)CC[N@@H+]1C ZINC000658249404 471279816 /nfs/dbraw/zinc/27/98/16/471279816.db2.gz DZIMTIOXFDZNSD-MOPGFXCFSA-N 1 3 342.531 2.414 10 0 EEAEHO C[C@@H]1C[C@@H](NC2(CN3CCN(c4ccccc4)CC3)CC2)CC[N@H+]1C ZINC000658249404 471279819 /nfs/dbraw/zinc/27/98/19/471279819.db2.gz DZIMTIOXFDZNSD-MOPGFXCFSA-N 1 3 342.531 2.414 10 0 EEAEHO CN(CCNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)Cc1ccccc1 ZINC000660451871 471349581 /nfs/dbraw/zinc/34/95/81/471349581.db2.gz KCAGRYUWRNAWPE-KRWDZBQOSA-N 1 3 332.492 2.290 10 0 EEAEHO CN(CCNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)Cc1ccccc1 ZINC000660451871 471349591 /nfs/dbraw/zinc/34/95/91/471349591.db2.gz KCAGRYUWRNAWPE-KRWDZBQOSA-N 1 3 332.492 2.290 10 0 EEAEHO CC[NH2+]Cc1ccccc1NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659019059 471469681 /nfs/dbraw/zinc/46/96/81/471469681.db2.gz MOTBIHMJFBSLEO-KRWDZBQOSA-N 1 3 346.475 2.171 10 0 EEAEHO C[C@@H](NC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C1=CC[N@H+](C)CC1 ZINC000659037525 471479036 /nfs/dbraw/zinc/47/90/36/471479036.db2.gz JFPSKIQNCQSVMA-RDTXWAMCSA-N 1 3 344.459 2.119 10 0 EEAEHO C[C@@H](NC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C1=CC[N@@H+](C)CC1 ZINC000659037525 471479042 /nfs/dbraw/zinc/47/90/42/471479042.db2.gz JFPSKIQNCQSVMA-RDTXWAMCSA-N 1 3 344.459 2.119 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659040376 471483014 /nfs/dbraw/zinc/48/30/14/471483014.db2.gz DNUKKNJSGWAJKE-ROUUACIJSA-N 1 3 346.475 2.343 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659040376 471483020 /nfs/dbraw/zinc/48/30/20/471483020.db2.gz DNUKKNJSGWAJKE-ROUUACIJSA-N 1 3 346.475 2.343 10 0 EEAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653155411 471510735 /nfs/dbraw/zinc/51/07/35/471510735.db2.gz SBHVJJCXPRILKM-NWANDNLSSA-N 1 3 343.393 2.021 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000655965050 471559105 /nfs/dbraw/zinc/55/91/05/471559105.db2.gz LQTFLHOCPOBUNE-KYNGSXCRSA-N 1 3 340.471 2.479 10 0 EEAEHO CN(Cc1ccccc1)C1(CNC(=O)N2CC3CC2(C[NH3+])C3)CCC1 ZINC000659500542 471658792 /nfs/dbraw/zinc/65/87/92/471658792.db2.gz XMNCLQBPFTWNFK-UHFFFAOYSA-N 1 3 342.487 2.174 10 0 EEAEHO C[C@H]1C[C@@H](N(C)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CCN1C ZINC000659578619 471685388 /nfs/dbraw/zinc/68/53/88/471685388.db2.gz FCSLXQSHDCUOIG-GDAAHCPNSA-N 1 3 344.503 2.256 10 0 EEAEHO CN(C)CCC[N@H+](C)CCNc1ncnc2[nH]c3ccccc3c21 ZINC000664244851 471694339 /nfs/dbraw/zinc/69/43/39/471694339.db2.gz LPOSFUFQLUUEEW-UHFFFAOYSA-N 1 3 326.448 2.407 10 0 EEAEHO CN(C)CCC[N@@H+](C)CCNc1ncnc2[nH]c3ccccc3c21 ZINC000664244851 471694345 /nfs/dbraw/zinc/69/43/45/471694345.db2.gz LPOSFUFQLUUEEW-UHFFFAOYSA-N 1 3 326.448 2.407 10 0 EEAEHO CCCCN(C[C@H](O)C[N@H+](C)CC)[C@@H]1CCc2ncsc2C1 ZINC000653776974 471736488 /nfs/dbraw/zinc/73/64/88/471736488.db2.gz SSTLBQMZJDEPOI-HUUCEWRRSA-N 1 3 325.522 2.415 10 0 EEAEHO CCCCN(C[C@H](O)C[N@@H+](C)CC)[C@@H]1CCc2ncsc2C1 ZINC000653776974 471736489 /nfs/dbraw/zinc/73/64/89/471736489.db2.gz SSTLBQMZJDEPOI-HUUCEWRRSA-N 1 3 325.522 2.415 10 0 EEAEHO O=C(Nc1ccc2c(c1F)CCNC2)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000667831554 471921695 /nfs/dbraw/zinc/92/16/95/471921695.db2.gz ULOHCZLHIXLDRZ-AWEZNQCLSA-N 1 3 332.423 2.077 10 0 EEAEHO O=C(Nc1ccc2c(c1F)CCNC2)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000667831554 471921699 /nfs/dbraw/zinc/92/16/99/471921699.db2.gz ULOHCZLHIXLDRZ-AWEZNQCLSA-N 1 3 332.423 2.077 10 0 EEAEHO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CCC2(CNC2)O1 ZINC000662253850 472044982 /nfs/dbraw/zinc/04/49/82/472044982.db2.gz WRWLYJYTMJNOQO-SFHVURJKSA-N 1 3 340.471 2.462 10 0 EEAEHO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CCC2(CNC2)O1 ZINC000662253850 472044987 /nfs/dbraw/zinc/04/49/87/472044987.db2.gz WRWLYJYTMJNOQO-SFHVURJKSA-N 1 3 340.471 2.462 10 0 EEAEHO c1cc(CN2CCCC[C@H]2CN2CCOCC2)c2c(c1)C[NH2+]CC2 ZINC000662263127 472048690 /nfs/dbraw/zinc/04/86/90/472048690.db2.gz ZQMWXDOLBCIGGD-IBGZPJMESA-N 1 3 329.488 2.019 10 0 EEAEHO c1cc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)c2c(c1)CNCC2 ZINC000662263127 472048694 /nfs/dbraw/zinc/04/86/94/472048694.db2.gz ZQMWXDOLBCIGGD-IBGZPJMESA-N 1 3 329.488 2.019 10 0 EEAEHO c1cc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c2c(c1)CNCC2 ZINC000662263127 472048697 /nfs/dbraw/zinc/04/86/97/472048697.db2.gz ZQMWXDOLBCIGGD-IBGZPJMESA-N 1 3 329.488 2.019 10 0 EEAEHO COCc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000665499973 472068296 /nfs/dbraw/zinc/06/82/96/472068296.db2.gz VHLVYGCTKXWONE-HNNXBMFYSA-N 1 3 336.480 2.227 10 0 EEAEHO COCc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000665499973 472068299 /nfs/dbraw/zinc/06/82/99/472068299.db2.gz VHLVYGCTKXWONE-HNNXBMFYSA-N 1 3 336.480 2.227 10 0 EEAEHO CC(C)[C@H]1N(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1(C)C ZINC000665762730 472176982 /nfs/dbraw/zinc/17/69/82/472176982.db2.gz OGQLNXKDCXOWNZ-JKSUJKDBSA-N 1 3 326.529 2.334 10 0 EEAEHO CC(C)[C@H]1N(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1(C)C ZINC000665762730 472176988 /nfs/dbraw/zinc/17/69/88/472176988.db2.gz OGQLNXKDCXOWNZ-JKSUJKDBSA-N 1 3 326.529 2.334 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCSC(C)(C)CC1 ZINC000665763091 472177014 /nfs/dbraw/zinc/17/70/14/472177014.db2.gz YLXUPQPWQZGBQO-HNNXBMFYSA-N 1 3 344.569 2.186 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCSC(C)(C)CC1 ZINC000665763091 472177024 /nfs/dbraw/zinc/17/70/24/472177024.db2.gz YLXUPQPWQZGBQO-HNNXBMFYSA-N 1 3 344.569 2.186 10 0 EEAEHO C[C@H]1C[C@H](NC(=O)C2([NH2+]C3CC3)CCC2)CN1Cc1ccccc1 ZINC000662747716 472233980 /nfs/dbraw/zinc/23/39/80/472233980.db2.gz CITVHRJPXGOZLA-YJBOKZPZSA-N 1 3 327.472 2.440 10 0 EEAEHO C[NH2+]CCOCCN(C)CCOc1cc(F)cc(Br)c1 ZINC000629571319 485735898 /nfs/dbraw/zinc/73/58/98/485735898.db2.gz RXDWATHYECLVAS-UHFFFAOYSA-N 1 3 349.244 2.135 10 0 EEAEHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000676647896 486272440 /nfs/dbraw/zinc/27/24/40/486272440.db2.gz LEYGKPFOOWAMBL-MAUKXSAKSA-N 1 3 345.491 2.000 10 0 EEAEHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000676647896 486272446 /nfs/dbraw/zinc/27/24/46/486272446.db2.gz LEYGKPFOOWAMBL-MAUKXSAKSA-N 1 3 345.491 2.000 10 0 EEAEHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000676647896 486272450 /nfs/dbraw/zinc/27/24/50/486272450.db2.gz LEYGKPFOOWAMBL-MAUKXSAKSA-N 1 3 345.491 2.000 10 0 EEAEHO O=C(CCN1CCc2ccccc2C1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000416137061 534416873 /nfs/dbraw/zinc/41/68/73/534416873.db2.gz RSILXIXBCOMWLY-OALUTQOASA-N 1 3 327.472 2.178 10 0 EEAEHO O=C(CCN1CCc2ccccc2C1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000416137061 534416881 /nfs/dbraw/zinc/41/68/81/534416881.db2.gz RSILXIXBCOMWLY-OALUTQOASA-N 1 3 327.472 2.178 10 0 EEAEHO CCN1CCC[C@H]1CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000363367784 521654903 /nfs/dbraw/zinc/65/49/03/521654903.db2.gz KGPMUMZJPAMCCU-KRWDZBQOSA-N 1 3 330.476 2.207 10 0 EEAEHO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415993682 528124187 /nfs/dbraw/zinc/12/41/87/528124187.db2.gz FWYQMAYNGHCVOZ-UHFFFAOYSA-N 1 3 334.464 2.112 10 0 EEAEHO COC[C@@H](CCC[NH3+])NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422932317 536596127 /nfs/dbraw/zinc/59/61/27/536596127.db2.gz ZAEYXFXTBDOMID-GOSISDBHSA-N 1 3 333.476 2.156 10 0 EEAEHO CCO[C@H](CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C)C[NH+](C)C ZINC000926957990 693042424 /nfs/dbraw/zinc/04/24/24/693042424.db2.gz DIOZIBMWJHCNMR-BZUAXINKSA-N 1 3 343.512 2.188 10 0 EEAEHO COCCCN1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001266336260 1176322132 /nfs/dbraw/zinc/32/21/32/1176322132.db2.gz MFSFWJIGHWGSBM-SJLPKXTDSA-N 1 3 337.508 2.011 10 0 EEAEHO COCCCN1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001266336260 1176322144 /nfs/dbraw/zinc/32/21/44/1176322144.db2.gz MFSFWJIGHWGSBM-SJLPKXTDSA-N 1 3 337.508 2.011 10 0 EEAEHO CC(C)COCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001266686189 1177198263 /nfs/dbraw/zinc/19/82/63/1177198263.db2.gz TVZJFIMOHPTGLV-CALCHBBNSA-N 1 3 339.524 2.160 10 0 EEAEHO Cc1nc(C)c(C[N@@H+](CCCNC(=O)[C@H]2CCCN2C)C(C)C)o1 ZINC001267308347 1178731086 /nfs/dbraw/zinc/73/10/86/1178731086.db2.gz VAZAVUAWAORBPK-MRXNPFEDSA-N 1 3 336.480 2.102 10 0 EEAEHO Cc1nc(C)c(C[N@H+](CCCNC(=O)[C@H]2CCCN2C)C(C)C)o1 ZINC001267308347 1178731090 /nfs/dbraw/zinc/73/10/90/1178731090.db2.gz VAZAVUAWAORBPK-MRXNPFEDSA-N 1 3 336.480 2.102 10 0 EEAEHO CN(CCNCc1ccc(Cl)c(F)c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267456473 1179038877 /nfs/dbraw/zinc/03/88/77/1179038877.db2.gz YKGJLGFRONACJF-AWEZNQCLSA-N 1 3 341.858 2.369 10 0 EEAEHO CN(CCNCc1ccc(Cl)c(F)c1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267456473 1179038885 /nfs/dbraw/zinc/03/88/85/1179038885.db2.gz YKGJLGFRONACJF-AWEZNQCLSA-N 1 3 341.858 2.369 10 0 EEAEHO C[C@H]1CC[N@H+](CC(=O)N(C)CCNCc2ccc(Cl)s2)C1 ZINC001481280859 1180776148 /nfs/dbraw/zinc/77/61/48/1180776148.db2.gz YXEIHDVKWQPKTL-LBPRGKRZSA-N 1 3 329.897 2.291 10 0 EEAEHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNCc2ccc(Cl)s2)C1 ZINC001481280859 1180776155 /nfs/dbraw/zinc/77/61/55/1180776155.db2.gz YXEIHDVKWQPKTL-LBPRGKRZSA-N 1 3 329.897 2.291 10 0 EEAEHO Cc1csc(CN[C@@H](C)C2CCN(C(=O)CC[NH+](C)C)CC2)n1 ZINC001481343493 1181076906 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COCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001272045590 1187256972 /nfs/dbraw/zinc/25/69/72/1187256972.db2.gz WCACPOVIPWVWQE-KSZLIROESA-N 1 3 339.524 2.065 10 0 EEAEHO COCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001272045590 1187256975 /nfs/dbraw/zinc/25/69/75/1187256975.db2.gz WCACPOVIPWVWQE-KSZLIROESA-N 1 3 339.524 2.065 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001482870231 1187789861 /nfs/dbraw/zinc/78/98/61/1187789861.db2.gz AQDVACBLTRYQLT-KGLIPLIRSA-N 1 3 339.430 2.291 10 0 EEAEHO CCN(CCNCc1c(C)nsc1C)C(=O)C1CC[NH+](C)CC1 ZINC001482947990 1187887303 /nfs/dbraw/zinc/88/73/03/1187887303.db2.gz OQFYXEDZTLMMNT-UHFFFAOYSA-N 1 3 338.521 2.040 10 0 EEAEHO CCc1ccc(C[NH2+]C/C=C/CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001483061275 1188364209 /nfs/dbraw/zinc/36/42/09/1188364209.db2.gz UYTGFJCLJCXDGM-BDUNBXCCSA-N 1 3 329.488 2.353 10 0 EEAEHO C[C@@H](CN(C)C[C@@H](O)c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483371672 1190414565 /nfs/dbraw/zinc/41/45/65/1190414565.db2.gz ZJDJJEPIPHRVHR-FUHWJXTLSA-N 1 3 347.503 2.031 10 0 EEAEHO Cc1ccc(F)cc1CN(C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483406780 1190452978 /nfs/dbraw/zinc/45/29/78/1190452978.db2.gz GMEOYWWNRGYBNS-OAHLLOKOSA-N 1 3 333.451 2.166 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cn(C(C)C)nc2C)C[C@H]1C ZINC001486130735 1193689777 /nfs/dbraw/zinc/68/97/77/1193689777.db2.gz SJXXKEUNYWGZFY-CRAIPNDOSA-N 1 3 349.523 2.193 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCc1cccc(F)c1 ZINC001483926196 1191118974 /nfs/dbraw/zinc/11/89/74/1191118974.db2.gz XPBSLZMPJSHTHF-OALUTQOASA-N 1 3 347.478 2.433 10 0 EEAEHO Cc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(C)n1 ZINC001484513251 1191391073 /nfs/dbraw/zinc/39/10/73/1191391073.db2.gz OHYBYFAEBBUEDD-HKUYNNGSSA-N 1 3 344.503 2.121 10 0 EEAEHO Cc1ccccc1C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001484533546 1191401581 /nfs/dbraw/zinc/40/15/81/1191401581.db2.gz UMALTWASRQWWDB-PKOBYXMFSA-N 1 3 329.488 2.417 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H](CC[NH2+]CCCF)C2)C1 ZINC001484536604 1191403978 /nfs/dbraw/zinc/40/39/78/1191403978.db2.gz ACTVAUCHNMKENO-MAUKXSAKSA-N 1 3 345.478 2.387 10 0 EEAEHO CCOCCN(C)Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC001484556450 1191417971 /nfs/dbraw/zinc/41/79/71/1191417971.db2.gz XEOFZLQJGVBCFR-UHFFFAOYSA-N 1 3 347.503 2.113 10 0 EEAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001485157651 1191673230 /nfs/dbraw/zinc/67/32/30/1191673230.db2.gz UMSBCYVHAUELFP-CHWSQXEVSA-N 1 3 338.883 2.202 10 0 EEAEHO C[C@@H](NCc1cncc(F)c1)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485179789 1191678918 /nfs/dbraw/zinc/67/89/18/1191678918.db2.gz JLWQCRWBDBWVOW-ZIAGYGMSSA-N 1 3 336.455 2.078 10 0 EEAEHO Cc1nsc(C)c1CNC1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001486475220 1193988948 /nfs/dbraw/zinc/98/89/48/1193988948.db2.gz DVBSFBWHKLWSIL-UHFFFAOYSA-N 1 3 338.521 2.181 10 0 EEAEHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CCOc2cccc(C)c2)C1)N(C)C ZINC001486476741 1193989876 /nfs/dbraw/zinc/98/98/76/1193989876.db2.gz LMNOKEMVHXAIDD-TVPLGVNVSA-N 1 3 347.503 2.293 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCC(F)(F)C2)C1)N(C)C ZINC001410221444 1197613916 /nfs/dbraw/zinc/61/39/16/1197613916.db2.gz SDAZKZPUIJXRFB-YHUYYLMFSA-N 1 3 345.478 2.492 10 0 EEAEHO C[C@H](C(=O)NC(=O)Nc1ccccc1F)N(C)CCCCCC[NH3+] ZINC000872155029 1198061213 /nfs/dbraw/zinc/06/12/13/1198061213.db2.gz KQTQCOFHDDSTTF-CYBMUJFWSA-N 1 3 338.427 2.313 10 0 EEAEHO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(C)CCCCCC[NH3+] ZINC000872154883 1198063162 /nfs/dbraw/zinc/06/31/62/1198063162.db2.gz DFFGTOUMLLPJGE-CQSZACIVSA-N 1 3 335.448 2.236 10 0 EEAEHO CC(=O)NCC1CCC([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000865472380 1198234787 /nfs/dbraw/zinc/23/47/87/1198234787.db2.gz ZVQRODXTSJRVIG-CCZBSFLLSA-N 1 3 339.524 2.160 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2c(C)nsc2C)C[C@@H]1C ZINC001410857167 1198508506 /nfs/dbraw/zinc/50/85/06/1198508506.db2.gz DEAKEQHNVGDUBY-WFASDCNBSA-N 1 3 338.521 2.181 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2c(C)nsc2C)C[C@@H]1C ZINC001410857167 1198508512 /nfs/dbraw/zinc/50/85/12/1198508512.db2.gz DEAKEQHNVGDUBY-WFASDCNBSA-N 1 3 338.521 2.181 10 0 EEAEHO Cc1cncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001410946858 1198612629 /nfs/dbraw/zinc/61/26/29/1198612629.db2.gz BZWHNUDQIIEBRP-WMZOPIPTSA-N 1 3 332.492 2.105 10 0 EEAEHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870872703 1200923262 /nfs/dbraw/zinc/92/32/62/1200923262.db2.gz HCDGBECSACEAFN-BPOAAREJSA-N 1 3 327.472 2.470 10 0 EEAEHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000813072409 1201098944 /nfs/dbraw/zinc/09/89/44/1201098944.db2.gz GQKVDLYJIGMCKM-HDMKZQKVSA-N 1 3 325.472 2.142 10 0 EEAEHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000813072409 1201098946 /nfs/dbraw/zinc/09/89/46/1201098946.db2.gz GQKVDLYJIGMCKM-HDMKZQKVSA-N 1 3 325.472 2.142 10 0 EEAEHO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000866115693 1201436921 /nfs/dbraw/zinc/43/69/21/1201436921.db2.gz VCMZJWKEPNIZKW-VSZNYVQBSA-N 1 3 333.520 2.345 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C\CNCCC(F)(F)F)C1 ZINC001274299387 1204988791 /nfs/dbraw/zinc/98/87/91/1204988791.db2.gz WMHBVQRWPCSYPE-NQHOJNORSA-N 1 3 335.414 2.323 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)NC/C=C\CNCCC(F)(F)F)C1 ZINC001274299387 1204988794 /nfs/dbraw/zinc/98/87/94/1204988794.db2.gz WMHBVQRWPCSYPE-NQHOJNORSA-N 1 3 335.414 2.323 10 0 EEAEHO C[C@@H]([NH2+]C/C=C/CNC(=O)CN1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC001274368344 1205012066 /nfs/dbraw/zinc/01/20/66/1205012066.db2.gz LGZUTJHQDWDQDA-OBMMGQTPSA-N 1 3 333.451 2.491 10 0 EEAEHO CC[C@H](C(=O)N[C@H]1CC[N@H+](CCCOC(C)C)CC1(C)C)N(C)C ZINC001274436896 1205035253 /nfs/dbraw/zinc/03/52/53/1205035253.db2.gz QYUQUWMODUEQRK-SJORKVTESA-N 1 3 341.540 2.358 10 0 EEAEHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCCOC(C)C)CC1(C)C)N(C)C ZINC001274436896 1205035254 /nfs/dbraw/zinc/03/52/54/1205035254.db2.gz QYUQUWMODUEQRK-SJORKVTESA-N 1 3 341.540 2.358 10 0 EEAEHO CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\CNCc1cccnc1C ZINC001274608688 1205095777 /nfs/dbraw/zinc/09/57/77/1205095777.db2.gz HCIVVVDROUDSCV-XFHJGTJQSA-N 1 3 330.476 2.026 10 0 EEAEHO CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C\CNCc1cccnc1C ZINC001274608688 1205095780 /nfs/dbraw/zinc/09/57/80/1205095780.db2.gz HCIVVVDROUDSCV-XFHJGTJQSA-N 1 3 330.476 2.026 10 0 EEAEHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000924658057 1206012741 /nfs/dbraw/zinc/01/27/41/1206012741.db2.gz JPGKROWSPQKPRR-AZUAARDMSA-N 1 3 330.520 2.410 10 0 EEAEHO CC1([NH+]2CCCC2)CCC(NC(=O)N2CC[C@@H](N3CC=CC3)C2)CC1 ZINC000925046038 1206064861 /nfs/dbraw/zinc/06/48/61/1206064861.db2.gz NNMVFJJAFMIBPK-QPIRBTGLSA-N 1 3 346.519 2.439 10 0 EEAEHO CC(C)CCN1CCC([NH2+][C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000925140505 1206075350 /nfs/dbraw/zinc/07/53/50/1206075350.db2.gz JSPGENUXYFPCCM-SFHVURJKSA-N 1 3 333.524 2.489 10 0 EEAEHO CC(C)CC[NH+]1CCC(N[C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000925140505 1206075352 /nfs/dbraw/zinc/07/53/52/1206075352.db2.gz JSPGENUXYFPCCM-SFHVURJKSA-N 1 3 333.524 2.489 10 0 EEAEHO Cc1cccc(OC[C@H](O)CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925571293 1206130042 /nfs/dbraw/zinc/13/00/42/1206130042.db2.gz ZCZHNMKDDIUVRE-HOJAQTOUSA-N 1 3 332.488 2.493 10 0 EEAEHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cccc(N2CCOCC2)c1 ZINC000925780029 1206153526 /nfs/dbraw/zinc/15/35/26/1206153526.db2.gz QOJKIFXBZJFWTH-GDBMZVCRSA-N 1 3 339.430 2.419 10 0 EEAEHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccnn1CC1CCC1 ZINC000926358364 1206215450 /nfs/dbraw/zinc/21/54/50/1206215450.db2.gz XVWGAUKGFTVRSX-INIZCTEOSA-N 1 3 333.524 2.360 10 0 EEAEHO CN(C(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCN(C2CC2)C1 ZINC000927289771 1206250814 /nfs/dbraw/zinc/25/08/14/1206250814.db2.gz VITZUTZWRGUGMF-URSIVYNOSA-N 1 3 334.508 2.272 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000928435385 1206382836 /nfs/dbraw/zinc/38/28/36/1206382836.db2.gz LZJLCVPCJHPDFK-NZSAHSFTSA-N 1 3 329.488 2.150 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000928435385 1206382839 /nfs/dbraw/zinc/38/28/39/1206382839.db2.gz LZJLCVPCJHPDFK-NZSAHSFTSA-N 1 3 329.488 2.150 10 0 EEAEHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc3cc[nH]c3c1)C2 ZINC000930601665 1206569512 /nfs/dbraw/zinc/56/95/12/1206569512.db2.gz JRUCEVDYHKKFBH-YLJYHZDGSA-N 1 3 343.471 2.325 10 0 EEAEHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc3cc[nH]c3c1)C2 ZINC000930601665 1206569513 /nfs/dbraw/zinc/56/95/13/1206569513.db2.gz JRUCEVDYHKKFBH-YLJYHZDGSA-N 1 3 343.471 2.325 10 0 EEAEHO CN1C[C@@H](CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1=O ZINC000723534420 1230590664 /nfs/dbraw/zinc/59/06/64/1230590664.db2.gz ACBOHKJEVDQAOQ-MUGJNUQGSA-N 1 3 341.499 2.498 10 0 EEAEHO CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901128483 1235257794 /nfs/dbraw/zinc/25/77/94/1235257794.db2.gz XQGUOCCYWGKDIZ-MJGOQNOKSA-N 1 3 345.487 2.299 10 0 EEAEHO CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901128483 1235257798 /nfs/dbraw/zinc/25/77/98/1235257798.db2.gz XQGUOCCYWGKDIZ-MJGOQNOKSA-N 1 3 345.487 2.299 10 0 EEAEHO C[C@@H]1CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@H]1CC[NH3+] ZINC000903496817 1240675198 /nfs/dbraw/zinc/67/51/98/1240675198.db2.gz FUHDFVXRKFCNFH-IUODEOHRSA-N 1 3 344.484 2.326 10 0 EEAEHO C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CCC(c2nc(C3CCC3)no2)CC1 ZINC000903779220 1241921737 /nfs/dbraw/zinc/92/17/37/1241921737.db2.gz WOFOCOHZDMNXIY-QFBILLFUSA-N 1 3 346.475 2.285 10 0 EEAEHO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)C[C@@H](CN)Cc1cnn(C)c1C ZINC000903898862 1242394659 /nfs/dbraw/zinc/39/46/59/1242394659.db2.gz OSSNXUZLGRSWFZ-KBAYOESNSA-N 1 3 336.524 2.371 10 0 EEAEHO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)C[C@@H](CN)Cc1cnn(C)c1C ZINC000903898862 1242394669 /nfs/dbraw/zinc/39/46/69/1242394669.db2.gz OSSNXUZLGRSWFZ-KBAYOESNSA-N 1 3 336.524 2.371 10 0 EEAEHO CCC1(CC)[C@H](OC)C[C@H]1N(C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903898862 1242394675 /nfs/dbraw/zinc/39/46/75/1242394675.db2.gz OSSNXUZLGRSWFZ-KBAYOESNSA-N 1 3 336.524 2.371 10 0 EEAEHO Cc1c(C[C@@H](CN)C[NH2+]CCCOc2ccccc2C)cnn1C ZINC000903923372 1242515501 /nfs/dbraw/zinc/51/55/01/1242515501.db2.gz SBBSMQATSOAZLJ-KRWDZBQOSA-N 1 3 330.476 2.213 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CNCCCOc2ccccc2C)cnn1C ZINC000903923372 1242515506 /nfs/dbraw/zinc/51/55/06/1242515506.db2.gz SBBSMQATSOAZLJ-KRWDZBQOSA-N 1 3 330.476 2.213 10 0 EEAEHO Cc1c(C[C@H](CN)C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)cnn1C ZINC000903947612 1242660239 /nfs/dbraw/zinc/66/02/39/1242660239.db2.gz CCNQNHFHOMZERR-MJGOQNOKSA-N 1 3 348.535 2.375 10 0 EEAEHO Cc1c(C[C@H](CN)C[N@H+]2CCCC[C@H](C3CCOCC3)C2)cnn1C ZINC000903947612 1242660249 /nfs/dbraw/zinc/66/02/49/1242660249.db2.gz CCNQNHFHOMZERR-MJGOQNOKSA-N 1 3 348.535 2.375 10 0 EEAEHO C[NH+](C)CCCC(=O)N1CCC[C@@H]2CN(C/C=C\Cl)CC[C@@H]21 ZINC001490984914 1258541917 /nfs/dbraw/zinc/54/19/17/1258541917.db2.gz VGGFAPYVJVMNMY-FYUFSVPTSA-N 1 3 327.900 2.394 10 0 EEAEHO Cc1ccc(F)cc1CN1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001491119623 1258700947 /nfs/dbraw/zinc/70/09/47/1258700947.db2.gz HGYDLDBDVLHOPT-MRXNPFEDSA-N 1 3 335.467 2.414 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](CNC/C(Cl)=C/Cl)C2)C1 ZINC001491183634 1258748197 /nfs/dbraw/zinc/74/81/97/1258748197.db2.gz FLNDTKPTEPLVHS-JNCUSGHUSA-N 1 3 334.291 2.085 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](CNC/C(Cl)=C/Cl)C2)C1 ZINC001491183634 1258748199 /nfs/dbraw/zinc/74/81/99/1258748199.db2.gz FLNDTKPTEPLVHS-JNCUSGHUSA-N 1 3 334.291 2.085 10 0 EEAEHO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NCc1cccnc1 ZINC001491478794 1259129625 /nfs/dbraw/zinc/12/96/25/1259129625.db2.gz SUMUDACESVYQJF-QAPCUYQASA-N 1 3 330.476 2.083 10 0 EEAEHO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)NCc1cccnc1 ZINC001491478794 1259129629 /nfs/dbraw/zinc/12/96/29/1259129629.db2.gz SUMUDACESVYQJF-QAPCUYQASA-N 1 3 330.476 2.083 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@H+](CCOCC2CCC2)CC1 ZINC001273474237 1278571897 /nfs/dbraw/zinc/57/18/97/1278571897.db2.gz FWEROFLUZIWADW-SFHVURJKSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@@H+](CCOCC2CCC2)CC1 ZINC001273474237 1278571905 /nfs/dbraw/zinc/57/19/05/1278571905.db2.gz FWEROFLUZIWADW-SFHVURJKSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H](CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)[NH+]1CCCCC1 ZINC000850760248 1277331637 /nfs/dbraw/zinc/33/16/37/1277331637.db2.gz XGBRRFVUTMNOLJ-MAUKXSAKSA-N 1 3 346.475 2.343 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@@H]([NH2+]CCCF)C2CC2)C1 ZINC001490710820 1291597313 /nfs/dbraw/zinc/59/73/13/1291597313.db2.gz VCCIHAUGHHKQPG-RHSMWYFYSA-N 1 3 331.451 2.043 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000855345213 1293183559 /nfs/dbraw/zinc/18/35/59/1293183559.db2.gz OUMSDKBLAGLFGS-GJZGRUSLSA-N 1 3 333.476 2.012 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000855345213 1293183562 /nfs/dbraw/zinc/18/35/62/1293183562.db2.gz OUMSDKBLAGLFGS-GJZGRUSLSA-N 1 3 333.476 2.012 10 0 EEAEHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@H](O)C3CC3)C2)ccn1 ZINC000856606069 1293579059 /nfs/dbraw/zinc/57/90/59/1293579059.db2.gz GXIPLAGOMGXNDR-OALUTQOASA-N 1 3 333.476 2.146 10 0 EEAEHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H](O)C3CC3)C2)ccn1 ZINC000856606069 1293579062 /nfs/dbraw/zinc/57/90/62/1293579062.db2.gz GXIPLAGOMGXNDR-OALUTQOASA-N 1 3 333.476 2.146 10 0 EEAEHO CCOC(=O)C1=CC[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000863544533 1296327481 /nfs/dbraw/zinc/32/74/81/1296327481.db2.gz WWFZKZRLHMBQKM-RIFZZMRRSA-N 1 3 342.439 2.484 10 0 EEAEHO COCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C(C)C ZINC001265670903 1323310632 /nfs/dbraw/zinc/31/06/32/1323310632.db2.gz XGYCZTZGWGMSEQ-QZTJIDSGSA-N 1 3 339.524 2.257 10 0 EEAEHO COCCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001265702658 1323336712 /nfs/dbraw/zinc/33/67/12/1323336712.db2.gz GKGKQYCDOAKOOI-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO COCCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001265702658 1323336717 /nfs/dbraw/zinc/33/67/17/1323336717.db2.gz GKGKQYCDOAKOOI-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ccccc1CCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001266037154 1323587523 /nfs/dbraw/zinc/58/75/23/1323587523.db2.gz LDVPWTAAUSRSPT-IBGZPJMESA-N 1 3 343.515 2.462 10 0 EEAEHO Cc1cccnc1C[NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001280073772 1324076211 /nfs/dbraw/zinc/07/62/11/1324076211.db2.gz QKISYPOPQCFQNZ-QGZVFWFLSA-N 1 3 344.503 2.203 10 0 EEAEHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc(Cl)n1)N(C)C ZINC001281724959 1325418107 /nfs/dbraw/zinc/41/81/07/1325418107.db2.gz NCIHCGXRKBERLI-BBRMVZONSA-N 1 3 340.899 2.306 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC001282487760 1325731533 /nfs/dbraw/zinc/73/15/33/1325731533.db2.gz YCPQMJVUCIPRGG-ZYHUDNBSSA-N 1 3 347.290 2.281 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC001282487760 1325731536 /nfs/dbraw/zinc/73/15/36/1325731536.db2.gz YCPQMJVUCIPRGG-ZYHUDNBSSA-N 1 3 347.290 2.281 10 0 EEAEHO Cc1ncsc1C[NH2+]CCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001283184602 1325947870 /nfs/dbraw/zinc/94/78/70/1325947870.db2.gz FDJHGBVPNXPOPD-CYBMUJFWSA-N 1 3 338.521 2.310 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCOCc2ccccc2)C[C@@H]1C ZINC001284035104 1326373749 /nfs/dbraw/zinc/37/37/49/1326373749.db2.gz ZJNFMFDUMNRZIM-PKOBYXMFSA-N 1 3 347.503 2.122 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1ccccc1Cl ZINC001491581086 1330172574 /nfs/dbraw/zinc/17/25/74/1330172574.db2.gz ZKNXHTZHOCQFTQ-GJZGRUSLSA-N 1 3 337.895 2.319 10 0 EEAEHO CN(CC(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ccccn1)C1CCC1 ZINC001492158083 1331021566 /nfs/dbraw/zinc/02/15/66/1331021566.db2.gz OODMTSCSRZMVAF-LJQANCHMSA-N 1 3 344.503 2.427 10 0 EEAEHO CN(CC(=O)NCCC[C@@H]1CCC[N@H+]1Cc1ccccn1)C1CCC1 ZINC001492158083 1331021570 /nfs/dbraw/zinc/02/15/70/1331021570.db2.gz OODMTSCSRZMVAF-LJQANCHMSA-N 1 3 344.503 2.427 10 0 EEAEHO COCCCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001316812153 1331908565 /nfs/dbraw/zinc/90/85/65/1331908565.db2.gz RSMAKTQSTAKBTK-KRWDZBQOSA-N 1 3 341.540 2.360 10 0 EEAEHO COCCCC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001316812153 1331908569 /nfs/dbraw/zinc/90/85/69/1331908569.db2.gz RSMAKTQSTAKBTK-KRWDZBQOSA-N 1 3 341.540 2.360 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001317157743 1332104279 /nfs/dbraw/zinc/10/42/79/1332104279.db2.gz LLOLGIAKQXTMHY-STQMWFEESA-N 1 3 336.307 2.474 10 0 EEAEHO C[C@H](F)CC[NH2+]C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001317162496 1332106342 /nfs/dbraw/zinc/10/63/42/1332106342.db2.gz UGLOVPWQTGNXDY-DLBZAZTESA-N 1 3 327.488 2.295 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCOc2cc(C)ccc2C)C1 ZINC001317308624 1332173525 /nfs/dbraw/zinc/17/35/25/1332173525.db2.gz OENUQOAIBDLCNW-SFHVURJKSA-N 1 3 347.503 2.215 10 0 EEAEHO Cc1ccccc1CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001317312537 1332174880 /nfs/dbraw/zinc/17/48/80/1332174880.db2.gz IWBAHAFIMXCYIV-ICSRJNTNSA-N 1 3 343.515 2.460 10 0 EEAEHO Cc1cccc(C)c1OCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001319435291 1332700739 /nfs/dbraw/zinc/70/07/39/1332700739.db2.gz BYANAAFRTTYSPW-ROUUACIJSA-N 1 3 347.503 2.213 10 0 EEAEHO C[C@H](C[NH2+]CCCCC1CCOCC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001319436892 1332701390 /nfs/dbraw/zinc/70/13/90/1332701390.db2.gz NLUNLLMBVUGVAP-AEFFLSMTSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)COCCN(C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001320060456 1332818053 /nfs/dbraw/zinc/81/80/53/1332818053.db2.gz YEJMWOZAQLEGOZ-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)COCCN(C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001320060456 1332818057 /nfs/dbraw/zinc/81/80/57/1332818057.db2.gz YEJMWOZAQLEGOZ-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@H](C(=O)NC/C=C/C[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C ZINC001321110768 1333021779 /nfs/dbraw/zinc/02/17/79/1333021779.db2.gz NRKYXKIZXPMTCI-XEVLESSRSA-N 1 3 331.451 2.414 10 0 EEAEHO Cc1ccc(OCC[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC001323459181 1333467377 /nfs/dbraw/zinc/46/73/77/1333467377.db2.gz FFSINKAOHXAPCV-UHFFFAOYSA-N 1 3 345.487 2.097 10 0 EEAEHO CN1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(F)cn2)C1 ZINC001326302050 1334063492 /nfs/dbraw/zinc/06/34/92/1334063492.db2.gz FPRVESCMSORVMP-YJBOKZPZSA-N 1 3 348.466 2.033 10 0 EEAEHO CCCC[NH2+]CC1(NC(=O)[C@H](C)N2CCCCCC2)CCOCC1 ZINC001327661957 1334329818 /nfs/dbraw/zinc/32/98/18/1334329818.db2.gz OHDUVQCDXFJEPE-KRWDZBQOSA-N 1 3 339.524 2.306 10 0 EEAEHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCc1ccnc(Cl)c1 ZINC001327903590 1334362140 /nfs/dbraw/zinc/36/21/40/1334362140.db2.gz OTDCVIHMLYSHHN-ZFWWWQNUSA-N 1 3 338.883 2.013 10 0 EEAEHO C[C@@H](CCC[NH2+]Cc1ccncc1Cl)NC(=O)[C@H]1CCCN1C ZINC001330883677 1334920552 /nfs/dbraw/zinc/92/05/52/1334920552.db2.gz QPQIYBXSVHLISS-XJKSGUPXSA-N 1 3 338.883 2.204 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C(C)(C)C ZINC001332901420 1335927797 /nfs/dbraw/zinc/92/77/97/1335927797.db2.gz YYECPDXLEQBVDZ-LBPRGKRZSA-N 1 3 325.419 2.400 10 0 EEAEHO CN(C)C1(C(=O)NCC2=CC[N@H+](CCC[C@H]3CCOC3)CC2)CCC1 ZINC001333354967 1336018600 /nfs/dbraw/zinc/01/86/00/1336018600.db2.gz USKGVQGXYQJQBY-SFHVURJKSA-N 1 3 349.519 2.036 10 0 EEAEHO CN(C)C1(C(=O)NCC2=CC[N@@H+](CCC[C@H]3CCOC3)CC2)CCC1 ZINC001333354967 1336018605 /nfs/dbraw/zinc/01/86/05/1336018605.db2.gz USKGVQGXYQJQBY-SFHVURJKSA-N 1 3 349.519 2.036 10 0 EEAEHO CCOCCN1CCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001661885646 1354717992 /nfs/dbraw/zinc/71/79/92/1354717992.db2.gz LPSIJQZENAMGIH-MSOLQXFVSA-N 1 3 339.524 2.258 10 0 EEAEHO Cc1ccc(CNCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c(C)n1 ZINC001664111949 1355094873 /nfs/dbraw/zinc/09/48/73/1355094873.db2.gz XMLFSLYEKIOMKC-UHFFFAOYSA-N 1 3 332.492 2.121 10 0 EEAEHO C[C@@H](CNCc1ccc(Cl)nc1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001666976251 1355625343 /nfs/dbraw/zinc/62/53/43/1355625343.db2.gz ADSQLOVIGACXKF-ZDUSSCGKSA-N 1 3 338.883 2.013 10 0 EEAEHO CCN(CC[NH2+]Cc1cnccc1C)C(=O)CN(C)CC(C)(C)C ZINC001668555046 1355961548 /nfs/dbraw/zinc/96/15/48/1355961548.db2.gz GYHYCJAVVZHIRW-UHFFFAOYSA-N 1 3 334.508 2.306 10 0 EEAEHO C[C@@H](C[NH2+]CCCCCF)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001669665145 1356191196 /nfs/dbraw/zinc/19/11/96/1356191196.db2.gz QVRAQMMNAPDFOS-YOEHRIQHSA-N 1 3 333.467 2.433 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001669749785 1356202276 /nfs/dbraw/zinc/20/22/76/1356202276.db2.gz ATHMBDFZRGPOQC-DZGCQCFKSA-N 1 3 338.883 2.204 10 0 EEAEHO CC/C=C/CC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCOCC1 ZINC001671934779 1356440981 /nfs/dbraw/zinc/44/09/81/1356440981.db2.gz HXECWYPGENIFLM-AATRIKPKSA-N 1 3 337.508 2.082 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCc2ccccc2F)C1 ZINC001672326829 1356501740 /nfs/dbraw/zinc/50/17/40/1356501740.db2.gz FKDSKNXNNSLSGO-AEFFLSMTSA-N 1 3 349.494 2.394 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCC[C@H]2CCOC2)CCCC1 ZINC001698804984 1405077954 /nfs/dbraw/zinc/07/79/54/1405077954.db2.gz CFAPAADYBSGQOO-INIZCTEOSA-N 1 3 348.491 2.096 10 0 EEAEHO Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)s1 ZINC001699135748 1405286044 /nfs/dbraw/zinc/28/60/44/1405286044.db2.gz UCIUVBMNKDLVJL-IUODEOHRSA-N 1 3 326.510 2.022 10 0 EEAEHO CN(C(=O)[C@H]1C[NH2+]CC1(C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000711278043 788585315 /nfs/dbraw/zinc/58/53/15/788585315.db2.gz DEAMZGSLGNXNIU-ZWKOTPCHSA-N 1 3 329.488 2.355 10 0 EEAEHO COc1ccc(CN(C(=O)CN2CC[C@H](C[NH3+])[C@H](C)C2)C2CC2)cc1 ZINC000923497249 789670874 /nfs/dbraw/zinc/67/08/74/789670874.db2.gz AWJIRJYOYAJYKT-NVXWUHKLSA-N 1 3 345.487 2.103 10 0 EEAEHO CC(C)(C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OCCO ZINC000716691699 796443092 /nfs/dbraw/zinc/44/30/92/796443092.db2.gz KJSOXFIZRGAHGD-FHWLQOOXSA-N 1 3 332.488 2.417 10 0 EEAEHO COC(=O)N(C)CCN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716731652 796448219 /nfs/dbraw/zinc/44/82/19/796448219.db2.gz MCXVRSHUSQFGSD-BZSNNMDCSA-N 1 3 331.460 2.327 10 0 EEAEHO COC(=O)N(C)CCN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716731652 796448222 /nfs/dbraw/zinc/44/82/22/796448222.db2.gz MCXVRSHUSQFGSD-BZSNNMDCSA-N 1 3 331.460 2.327 10 0 EEAEHO COC(=O)N(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716731652 796448229 /nfs/dbraw/zinc/44/82/29/796448229.db2.gz MCXVRSHUSQFGSD-BZSNNMDCSA-N 1 3 331.460 2.327 10 0 EEAEHO Cc1ccncc1CN(C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001566464933 1125624487 /nfs/dbraw/zinc/62/44/87/1125624487.db2.gz BPTQEVLMDSWCTD-RBUKOAKNSA-N 1 3 344.503 2.345 10 0 EEAEHO Cc1ccncc1CN(C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001566464933 1125624491 /nfs/dbraw/zinc/62/44/91/1125624491.db2.gz BPTQEVLMDSWCTD-RBUKOAKNSA-N 1 3 344.503 2.345 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCc2c(F)cccc2F)C1 ZINC001436933780 1088605637 /nfs/dbraw/zinc/60/56/37/1088605637.db2.gz FCGPMRXDMWYXBO-HDJSIYSDSA-N 1 3 339.430 2.084 10 0 EEAEHO C[NH+](C)CC1(C(=O)N2CCC[C@@H]3CN(C/C=C/Cl)CC[C@H]32)CC1 ZINC001436946113 1088627822 /nfs/dbraw/zinc/62/78/22/1088627822.db2.gz QXZGKHJRDHRKPK-HWYYHXQYSA-N 1 3 339.911 2.394 10 0 EEAEHO Cc1nsc(C)c1CN[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001437161724 1089171392 /nfs/dbraw/zinc/17/13/92/1089171392.db2.gz HBXHJNYIQDDOFA-WFASDCNBSA-N 1 3 338.521 2.229 10 0 EEAEHO Cc1nsc(C)c1CN[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001437161724 1089171399 /nfs/dbraw/zinc/17/13/99/1089171399.db2.gz HBXHJNYIQDDOFA-WFASDCNBSA-N 1 3 338.521 2.229 10 0 EEAEHO Cc1ncsc1CN[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001437261827 1089404278 /nfs/dbraw/zinc/40/42/78/1089404278.db2.gz DUKFZBPXPHGZOF-BBRMVZONSA-N 1 3 338.521 2.166 10 0 EEAEHO CO[C@H](C[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1)C1CCC1 ZINC001437358310 1089587059 /nfs/dbraw/zinc/58/70/59/1089587059.db2.gz OSIWTRCROHAGSN-QZTJIDSGSA-N 1 3 339.524 2.065 10 0 EEAEHO CO[C@H](C[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1)C1CCC1 ZINC001437358310 1089587072 /nfs/dbraw/zinc/58/70/72/1089587072.db2.gz OSIWTRCROHAGSN-QZTJIDSGSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)c1ccccc1CN(C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001437540423 1089989304 /nfs/dbraw/zinc/98/93/04/1089989304.db2.gz CAVOMQXYAXAZJX-UHFFFAOYSA-N 1 3 329.488 2.454 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CCN(C/C=C/Cl)C1 ZINC001437919882 1090507128 /nfs/dbraw/zinc/50/71/28/1090507128.db2.gz QPCBESVXMUTNAC-DUIXZTDISA-N 1 3 327.900 2.440 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CCN(C/C=C/Cl)C1 ZINC001437919882 1090507129 /nfs/dbraw/zinc/50/71/29/1090507129.db2.gz QPCBESVXMUTNAC-DUIXZTDISA-N 1 3 327.900 2.440 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(Cc2conc2C)C1 ZINC001437925238 1090518597 /nfs/dbraw/zinc/51/85/97/1090518597.db2.gz PVMLHPJFSFRWNE-WMZOPIPTSA-N 1 3 348.491 2.186 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(Cc2conc2C)C1 ZINC001437925238 1090518601 /nfs/dbraw/zinc/51/86/01/1090518601.db2.gz PVMLHPJFSFRWNE-WMZOPIPTSA-N 1 3 348.491 2.186 10 0 EEAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1cnn(C(C)(C)C)c1 ZINC001439111060 1091756055 /nfs/dbraw/zinc/75/60/55/1091756055.db2.gz OWPMAQQUUUQLNM-WBVHZDCISA-N 1 3 349.523 2.105 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1cnn(C(C)(C)C)c1 ZINC001439111060 1091756062 /nfs/dbraw/zinc/75/60/62/1091756062.db2.gz OWPMAQQUUUQLNM-WBVHZDCISA-N 1 3 349.523 2.105 10 0 EEAEHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001439536423 1092396248 /nfs/dbraw/zinc/39/62/48/1092396248.db2.gz IODPGJBMWBIMRN-JKSUJKDBSA-N 1 3 327.488 2.293 10 0 EEAEHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001439536423 1092396262 /nfs/dbraw/zinc/39/62/62/1092396262.db2.gz IODPGJBMWBIMRN-JKSUJKDBSA-N 1 3 327.488 2.293 10 0 EEAEHO CC[C@H](F)C[NH2+]C[C@@]1(C)CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001439904333 1092968193 /nfs/dbraw/zinc/96/81/93/1092968193.db2.gz YMPVYIOFWTUIKG-FUHWJXTLSA-N 1 3 327.488 2.295 10 0 EEAEHO CC[N@H+](C)CCC(=O)NCC1(C)CCN(Cc2ocnc2C)CC1 ZINC001439922527 1093001351 /nfs/dbraw/zinc/00/13/51/1093001351.db2.gz NYFWSWHBVJPYIZ-UHFFFAOYSA-N 1 3 336.480 2.043 10 0 EEAEHO CC[N@@H+](C)CCC(=O)NCC1(C)CCN(Cc2ocnc2C)CC1 ZINC001439922527 1093001358 /nfs/dbraw/zinc/00/13/58/1093001358.db2.gz NYFWSWHBVJPYIZ-UHFFFAOYSA-N 1 3 336.480 2.043 10 0 EEAEHO CC[C@H](F)CN1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001440229414 1093312439 /nfs/dbraw/zinc/31/24/39/1093312439.db2.gz DNRAMGMVVXMPNF-HNNXBMFYSA-N 1 3 325.472 2.001 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]21 ZINC001448477417 1093495485 /nfs/dbraw/zinc/49/54/85/1093495485.db2.gz ZWPKSURVNRBQOL-FPCVCCKLSA-N 1 3 343.462 2.058 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]21 ZINC001448477417 1093495490 /nfs/dbraw/zinc/49/54/90/1093495490.db2.gz ZWPKSURVNRBQOL-FPCVCCKLSA-N 1 3 343.462 2.058 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2F)C1 ZINC001448512474 1093538012 /nfs/dbraw/zinc/53/80/12/1093538012.db2.gz FSMWTANIKBEWSN-CTYIDZIISA-N 1 3 339.430 2.291 10 0 EEAEHO Cc1ncccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001440405719 1093595915 /nfs/dbraw/zinc/59/59/15/1093595915.db2.gz SQJWZAOQPXVUKJ-FUHWJXTLSA-N 1 3 344.503 2.249 10 0 EEAEHO Cc1cccnc1CN[C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001448698041 1093761067 /nfs/dbraw/zinc/76/10/67/1093761067.db2.gz MCVOFNQEYWCJME-HKUYNNGSSA-N 1 3 346.519 2.447 10 0 EEAEHO Cc1cccnc1CN[C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001448698041 1093761072 /nfs/dbraw/zinc/76/10/72/1093761072.db2.gz MCVOFNQEYWCJME-HKUYNNGSSA-N 1 3 346.519 2.447 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)NCc2ncccc2C)C1 ZINC001448712241 1093783271 /nfs/dbraw/zinc/78/32/71/1093783271.db2.gz UUZBHTYMJHBOIZ-MSOLQXFVSA-N 1 3 346.519 2.449 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)NCc2ncccc2C)C1 ZINC001448712241 1093783276 /nfs/dbraw/zinc/78/32/76/1093783276.db2.gz UUZBHTYMJHBOIZ-MSOLQXFVSA-N 1 3 346.519 2.449 10 0 EEAEHO COc1cc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)ccc1C ZINC001448966739 1093972491 /nfs/dbraw/zinc/97/24/91/1093972491.db2.gz BJXNNRNNSIKJON-SJLPKXTDSA-N 1 3 347.503 2.423 10 0 EEAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCN(C[C@H]1CCCCO1)C1CC1 ZINC001443010064 1097425366 /nfs/dbraw/zinc/42/53/66/1097425366.db2.gz UQDVZEXKRYFKRX-FUHWJXTLSA-N 1 3 337.508 2.011 10 0 EEAEHO C[N@H+]1CCC[C@H]1CCC(=O)NCCN(C[C@H]1CCCCO1)C1CC1 ZINC001443010064 1097425367 /nfs/dbraw/zinc/42/53/67/1097425367.db2.gz UQDVZEXKRYFKRX-FUHWJXTLSA-N 1 3 337.508 2.011 10 0 EEAEHO CCc1ccccc1CN1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001443631118 1098126101 /nfs/dbraw/zinc/12/61/01/1098126101.db2.gz WGDOPCOPVHMNJP-MRXNPFEDSA-N 1 3 329.488 2.139 10 0 EEAEHO CCc1ccccc1CN1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001443631118 1098126107 /nfs/dbraw/zinc/12/61/07/1098126107.db2.gz WGDOPCOPVHMNJP-MRXNPFEDSA-N 1 3 329.488 2.139 10 0 EEAEHO Cc1nocc1CNCC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001479522129 1098588685 /nfs/dbraw/zinc/58/86/85/1098588685.db2.gz KIBPXZKUQLESQW-PBHICJAKSA-N 1 3 336.480 2.042 10 0 EEAEHO CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1OCC ZINC001479532670 1098598570 /nfs/dbraw/zinc/59/85/70/1098598570.db2.gz HPMHQNQNFYFDFS-FGTMMUONSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC[C@@H]([NH2+]Cc2ccccc2F)C2CC2)C1 ZINC001480047417 1099552116 /nfs/dbraw/zinc/55/21/16/1099552116.db2.gz RSCOODLENWWTIR-KBXCAEBGSA-N 1 3 333.451 2.152 10 0 EEAEHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001480111028 1099678390 /nfs/dbraw/zinc/67/83/90/1099678390.db2.gz UAEHVHZADCMHRK-DLBZAZTESA-N 1 3 339.430 2.196 10 0 EEAEHO Cc1oncc1CN[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001444883738 1099910419 /nfs/dbraw/zinc/91/04/19/1099910419.db2.gz GIWYZAGFPOWRKY-SJORKVTESA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1oncc1CN[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C(C)C ZINC001444883738 1099910442 /nfs/dbraw/zinc/91/04/42/1099910442.db2.gz GIWYZAGFPOWRKY-SJORKVTESA-N 1 3 336.480 2.088 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ncccc1C)C1CCCC1)N(C)C ZINC001446494102 1100936970 /nfs/dbraw/zinc/93/69/70/1100936970.db2.gz CERFACBFGSBOSA-RBUKOAKNSA-N 1 3 346.519 2.495 10 0 EEAEHO Cc1ncc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C[C@@H]2C)s1 ZINC001496372574 1100965833 /nfs/dbraw/zinc/96/58/33/1100965833.db2.gz ABGRXOYXJKFCQT-BBRMVZONSA-N 1 3 338.521 2.118 10 0 EEAEHO Cc1oncc1CNCC[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001495372452 1101087494 /nfs/dbraw/zinc/08/74/94/1101087494.db2.gz AHVSZJYFKIKIIV-MRXNPFEDSA-N 1 3 348.491 2.043 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC[NH2+]C[C@@H](C)OC)CC1 ZINC001495438423 1101154623 /nfs/dbraw/zinc/15/46/23/1101154623.db2.gz WPCYEAKVWVCSCG-SJLPKXTDSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)OCC[NH2+][C@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001495471158 1101181663 /nfs/dbraw/zinc/18/16/63/1101181663.db2.gz WTUKCILZPSJVCD-QAQDUYKDSA-N 1 3 341.540 2.406 10 0 EEAEHO Cc1csc(CNC[C@@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)n1 ZINC001495683864 1101433607 /nfs/dbraw/zinc/43/36/07/1101433607.db2.gz SKXIPSHBEDLBDN-HIFRSBDPSA-N 1 3 338.521 2.168 10 0 EEAEHO Cc1csc(CNC[C@@H](C)CNC(=O)CC[C@@H]2CCC[N@H+]2C)n1 ZINC001495683864 1101433613 /nfs/dbraw/zinc/43/36/13/1101433613.db2.gz SKXIPSHBEDLBDN-HIFRSBDPSA-N 1 3 338.521 2.168 10 0 EEAEHO C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001496155084 1102147190 /nfs/dbraw/zinc/14/71/90/1102147190.db2.gz SGKMKNXKKJXARX-JKSUJKDBSA-N 1 3 342.487 2.446 10 0 EEAEHO COc1ccc(C)cc1C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCC1 ZINC001447251592 1102299010 /nfs/dbraw/zinc/29/90/10/1102299010.db2.gz REZGJXVJYUWADJ-UHFFFAOYSA-N 1 3 347.503 2.472 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccnc1C ZINC001497332618 1102339572 /nfs/dbraw/zinc/33/95/72/1102339572.db2.gz PRJLDPVGYRXXDJ-QAPCUYQASA-N 1 3 332.492 2.249 10 0 EEAEHO O=C(NC/C=C\CNCc1cccc(Cl)c1)[C@H]1C[NH+]2CCC1CC2 ZINC001497578085 1102691522 /nfs/dbraw/zinc/69/15/22/1102691522.db2.gz GJSXOAZNDGTIQV-LPQSXRFUSA-N 1 3 347.890 2.444 10 0 EEAEHO C[NH+](C)CCCC(=O)NC/C=C/CN[C@@H]1CCc2c1cccc2F ZINC001497660432 1102844261 /nfs/dbraw/zinc/84/42/61/1102844261.db2.gz IKFHEGSKPQPJBA-OAJJDEHYSA-N 1 3 333.451 2.417 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](C[C@H]1CC[C@H](C)O1)C(C)C ZINC001493875524 1103009978 /nfs/dbraw/zinc/00/99/78/1103009978.db2.gz QMWVPSOSVPXGFS-GOEBONIOSA-N 1 3 336.480 2.045 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](C[C@H]1CC[C@H](C)O1)C(C)C ZINC001493875524 1103009987 /nfs/dbraw/zinc/00/99/87/1103009987.db2.gz QMWVPSOSVPXGFS-GOEBONIOSA-N 1 3 336.480 2.045 10 0 EEAEHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]CCC(F)(F)F ZINC001447905479 1103563056 /nfs/dbraw/zinc/56/30/56/1103563056.db2.gz JQBVUDMTGOIWEE-NWDGAFQWSA-N 1 3 325.419 2.400 10 0 EEAEHO CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]CCCOC ZINC001498898174 1108294553 /nfs/dbraw/zinc/29/45/53/1108294553.db2.gz LLBXUEWMYTZOGK-IAGOWNOFSA-N 1 3 341.540 2.218 10 0 EEAEHO CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]CCCOC ZINC001498898178 1108295014 /nfs/dbraw/zinc/29/50/14/1108295014.db2.gz LLBXUEWMYTZOGK-SJORKVTESA-N 1 3 341.540 2.218 10 0 EEAEHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]C/C=C/Cl)C1)N1CCCC1 ZINC001479470374 1110698813 /nfs/dbraw/zinc/69/88/13/1110698813.db2.gz PSLJQDOJIFVZPI-YKHJJTLOSA-N 1 3 327.900 2.488 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CCCOC)C1 ZINC001500499129 1112890251 /nfs/dbraw/zinc/89/02/51/1112890251.db2.gz SEKIHCOHKQTXBH-PKOBYXMFSA-N 1 3 339.524 2.116 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CCCOC)C1 ZINC001500499129 1112890255 /nfs/dbraw/zinc/89/02/55/1112890255.db2.gz SEKIHCOHKQTXBH-PKOBYXMFSA-N 1 3 339.524 2.116 10 0 EEAEHO CC(C)OCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001501071077 1113188094 /nfs/dbraw/zinc/18/80/94/1113188094.db2.gz KLIICKPUWLXTGB-SJORKVTESA-N 1 3 341.540 2.216 10 0 EEAEHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CCO1 ZINC001502054377 1113571380 /nfs/dbraw/zinc/57/13/80/1113571380.db2.gz ZJODKDZPGZELMP-QGZVFWFLSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001505760557 1114174649 /nfs/dbraw/zinc/17/46/49/1114174649.db2.gz MHDNBCCNQOKVSO-JKSUJKDBSA-N 1 3 334.508 2.076 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001507426358 1115262478 /nfs/dbraw/zinc/26/24/78/1115262478.db2.gz FYZGDMAFQZHNOY-RTBURBONSA-N 1 3 331.504 2.444 10 0 EEAEHO CC(C)N(CCN(C)C[C@@H]1CCCCO1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507833593 1115355652 /nfs/dbraw/zinc/35/56/52/1115355652.db2.gz CHIATOXIYRUUMS-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(CCN(C)C[C@@H]1CCCCO1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507833593 1115355656 /nfs/dbraw/zinc/35/56/56/1115355656.db2.gz CHIATOXIYRUUMS-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO CCOCCN1CC[C@@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001567943221 1124197531 /nfs/dbraw/zinc/19/75/31/1124197531.db2.gz ZQEPGQKFVRNSRP-ZWKOTPCHSA-N 1 3 339.524 2.210 10 0 EEAEHO CCOCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001568405920 1124475013 /nfs/dbraw/zinc/47/50/13/1124475013.db2.gz AQJGLBAPORTIDJ-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001565876844 1125447785 /nfs/dbraw/zinc/44/77/85/1125447785.db2.gz UYBNWEZOPCGWTM-IYARVYRRSA-N 1 3 340.471 2.378 10 0 EEAEHO CN(C)C[C@H](NC(=O)NCCC1CC[NH+](C)CC1)c1ccccc1 ZINC000103300728 219287579 /nfs/dbraw/zinc/28/75/79/219287579.db2.gz OQJIMBFNWXLIPC-SFHVURJKSA-N 1 3 332.492 2.320 10 0 EEAEHO CC(C)N1CCN([C@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC000036170786 213073982 /nfs/dbraw/zinc/07/39/82/213073982.db2.gz VBXZOWMXSWBPPE-OAHLLOKOSA-N 1 3 326.282 2.475 10 0 EEAEHO C[C@@H]1CN(c2ccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])cn2)C[C@@H](C)O1 ZINC000422878023 240270913 /nfs/dbraw/zinc/27/09/13/240270913.db2.gz IRLJLSZJSQSIGJ-JOCBIADPSA-N 1 3 332.492 2.302 10 0 EEAEHO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CCN1C ZINC000276054615 256398811 /nfs/dbraw/zinc/39/88/11/256398811.db2.gz AQDRJPIHIGRVCX-QFBILLFUSA-N 1 3 346.519 2.415 10 0 EEAEHO C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)[N@H+](C)C1CC1 ZINC000245683036 160247634 /nfs/dbraw/zinc/24/76/34/160247634.db2.gz VSUSJOKTINCQAI-OLMNPRSZSA-N 1 3 330.476 2.214 10 0 EEAEHO C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)[N@@H+](C)C1CC1 ZINC000245683036 160247635 /nfs/dbraw/zinc/24/76/35/160247635.db2.gz VSUSJOKTINCQAI-OLMNPRSZSA-N 1 3 330.476 2.214 10 0 EEAEHO CCN1CCN(CCC[NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000352757264 162273716 /nfs/dbraw/zinc/27/37/16/162273716.db2.gz SPZQMPWHGVUXOX-UHFFFAOYSA-N 1 3 341.503 2.204 10 0 EEAEHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170827000 276334796 /nfs/dbraw/zinc/33/47/96/276334796.db2.gz OZZZUVKINUOXRO-GOSISDBHSA-N 1 3 332.492 2.374 10 0 EEAEHO CC(C)[C@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)[NH+]1CCC(C)CC1 ZINC000173824020 280244113 /nfs/dbraw/zinc/24/41/13/280244113.db2.gz PFGKZYUHTSMXAM-MOPGFXCFSA-N 1 3 348.535 2.399 10 0 EEAEHO CC1CCN(CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000193490446 281816107 /nfs/dbraw/zinc/81/61/07/281816107.db2.gz WUGVPWNWJMXKSA-UHFFFAOYSA-N 1 3 336.524 2.236 10 0 EEAEHO CN(Cc1cc(Cl)ccc1F)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414760087 313078576 /nfs/dbraw/zinc/07/85/76/313078576.db2.gz XQVDLCZVXQHOCN-LBPRGKRZSA-N 1 3 327.831 2.108 10 0 EEAEHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416792032 313317489 /nfs/dbraw/zinc/31/74/89/313317489.db2.gz XOEHNODCDZPIOO-RBUKOAKNSA-N 1 3 342.487 2.359 10 0 EEAEHO O[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@@H]1CCCO1 ZINC000527955558 317292126 /nfs/dbraw/zinc/29/21/26/317292126.db2.gz MNTNNFPYGAZWHE-XNTOXWQXSA-N 1 3 344.499 2.417 10 0 EEAEHO CCN(C)c1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000530248298 317704241 /nfs/dbraw/zinc/70/42/41/317704241.db2.gz IHCUIFJPGYAMTQ-SFHVURJKSA-N 1 3 332.492 2.128 10 0 EEAEHO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(CN)nc3C)C2)n(C)n1 ZINC000565475083 319185633 /nfs/dbraw/zinc/18/56/33/319185633.db2.gz OHSMZRFGKDMSAP-NVXWUHKLSA-N 1 3 342.491 2.210 10 0 EEAEHO NC[C@@H]1c2ccccc2CCN1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000565831769 319219108 /nfs/dbraw/zinc/21/91/08/319219108.db2.gz DRSNHHWLFYHBHW-LJQANCHMSA-N 1 3 342.487 2.271 10 0 EEAEHO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cccc(OCCN(C)C)c1 ZINC000125565976 463557966 /nfs/dbraw/zinc/55/79/66/463557966.db2.gz WNGBGUMLISSPLD-VQIMIIECSA-N 1 3 336.476 2.067 10 0 EEAEHO Cn1ccnc1[C@H](NCC1(N2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000127702705 462575554 /nfs/dbraw/zinc/57/55/54/462575554.db2.gz KVCKUVXOGFXAHP-GOSISDBHSA-N 1 3 345.535 2.411 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN(C)Cc2ccccc2)[C@H](C)C1 ZINC000128616303 462657534 /nfs/dbraw/zinc/65/75/34/462657534.db2.gz MWSJWIRJNPIMAP-MJGOQNOKSA-N 1 3 346.519 2.490 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN(C)Cc2ccccc2)[C@H](C)C1 ZINC000128616303 462657542 /nfs/dbraw/zinc/65/75/42/462657542.db2.gz MWSJWIRJNPIMAP-MJGOQNOKSA-N 1 3 346.519 2.490 10 0 EEAEHO CN1CCC(NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000155260448 462867329 /nfs/dbraw/zinc/86/73/29/462867329.db2.gz JOZNCZUSSNCIBX-FQEVSTJZSA-N 1 3 344.503 2.435 10 0 EEAEHO CN1CCC(NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000155260448 462867335 /nfs/dbraw/zinc/86/73/35/462867335.db2.gz JOZNCZUSSNCIBX-FQEVSTJZSA-N 1 3 344.503 2.435 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000049794897 462979084 /nfs/dbraw/zinc/97/90/84/462979084.db2.gz VQJSEXYVBWRMMM-IEBWSBKVSA-N 1 3 346.519 2.333 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000049794897 462979087 /nfs/dbraw/zinc/97/90/87/462979087.db2.gz VQJSEXYVBWRMMM-IEBWSBKVSA-N 1 3 346.519 2.333 10 0 EEAEHO CN(CCOc1c(Cl)cccc1Cl)CCN1CC[NH2+]CC1 ZINC000071150546 463410006 /nfs/dbraw/zinc/41/00/06/463410006.db2.gz CIIPUDORTCZSKZ-UHFFFAOYSA-N 1 3 332.275 2.209 10 0 EEAEHO CCC[C@@H](C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1)N(C)C ZINC000161563828 463439427 /nfs/dbraw/zinc/43/94/27/463439427.db2.gz VDTQEISWHXJWMF-IBGZPJMESA-N 1 3 346.519 2.493 10 0 EEAEHO C[N@H+](CCn1cccn1)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105862947 463479734 /nfs/dbraw/zinc/47/97/34/463479734.db2.gz XRUJPUKDROWRIX-HXUWFJFHSA-N 1 3 342.487 2.261 10 0 EEAEHO C[N@@H+](CCn1cccn1)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105862947 463479739 /nfs/dbraw/zinc/47/97/39/463479739.db2.gz XRUJPUKDROWRIX-HXUWFJFHSA-N 1 3 342.487 2.261 10 0 EEAEHO COc1ccc(C[N@@H+]2CCCN(c3cc(C)nc(N)n3)CC2)cc1 ZINC000043533949 463645861 /nfs/dbraw/zinc/64/58/61/463645861.db2.gz LQCLLEXVAJAEMR-UHFFFAOYSA-N 1 3 327.432 2.088 10 0 EEAEHO COc1ccc(C[N@H+]2CCCN(c3cc(C)nc(N)n3)CC2)cc1 ZINC000043533949 463645866 /nfs/dbraw/zinc/64/58/66/463645866.db2.gz LQCLLEXVAJAEMR-UHFFFAOYSA-N 1 3 327.432 2.088 10 0 EEAEHO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000170855480 463724159 /nfs/dbraw/zinc/72/41/59/463724159.db2.gz CTBRNDLJNRKLTH-AEFFLSMTSA-N 1 3 333.451 2.200 10 0 EEAEHO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000261873237 463885485 /nfs/dbraw/zinc/88/54/85/463885485.db2.gz YDJXYCOJMNTQDP-HZPDHXFCSA-N 1 3 339.549 2.229 10 0 EEAEHO Cc1cc2c(ncnc2N2CCN(CC3CC[NH2+]CC3)CC2)s1 ZINC000261994007 463919851 /nfs/dbraw/zinc/91/98/51/463919851.db2.gz SQZNJLWEJMWCSW-UHFFFAOYSA-N 1 3 331.489 2.121 10 0 EEAEHO CC(C)[C@H](CNC(=O)N1CCN2CCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000171900852 463944572 /nfs/dbraw/zinc/94/45/72/463944572.db2.gz LTDSWVYTWRTKIR-MSOLQXFVSA-N 1 3 336.524 2.233 10 0 EEAEHO CN(C)CCOc1cccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000262212993 463973514 /nfs/dbraw/zinc/97/35/14/463973514.db2.gz YJJSIWKUFJHWDJ-QRQLOZEOSA-N 1 3 345.487 2.164 10 0 EEAEHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000279167994 464051021 /nfs/dbraw/zinc/05/10/21/464051021.db2.gz QJVXYYZDRXSOQB-GOSISDBHSA-N 1 3 341.503 2.236 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC[NH2+]1 ZINC000568966331 468414223 /nfs/dbraw/zinc/41/42/23/468414223.db2.gz GXYFWRHMZZMVHV-KPFFTGBYSA-N 1 3 344.503 2.481 10 0 EEAEHO CCC[C@@H](N)C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000182513262 464671795 /nfs/dbraw/zinc/67/17/95/464671795.db2.gz XQBXEJLDSRPBDP-MOPGFXCFSA-N 1 3 347.503 2.018 10 0 EEAEHO Cc1nccn1CCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182622105 464695320 /nfs/dbraw/zinc/69/53/20/464695320.db2.gz IOUUCJGYEDOAIZ-YOFSQIOKSA-N 1 3 345.535 2.215 10 0 EEAEHO Cc1nccn1CCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182622105 464695329 /nfs/dbraw/zinc/69/53/29/464695329.db2.gz IOUUCJGYEDOAIZ-YOFSQIOKSA-N 1 3 345.535 2.215 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000337354387 465322652 /nfs/dbraw/zinc/32/26/52/465322652.db2.gz CUMAPAVZJMTSQH-SJLPKXTDSA-N 1 3 332.492 2.463 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000337354387 465322658 /nfs/dbraw/zinc/32/26/58/465322658.db2.gz CUMAPAVZJMTSQH-SJLPKXTDSA-N 1 3 332.492 2.463 10 0 EEAEHO CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000340478584 466113513 /nfs/dbraw/zinc/11/35/13/466113513.db2.gz SAZAYXQFAYKYFB-MOPGFXCFSA-N 1 3 327.476 2.211 10 0 EEAEHO CC[C@@H](Cn1cncn1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000340478584 466113521 /nfs/dbraw/zinc/11/35/21/466113521.db2.gz SAZAYXQFAYKYFB-MOPGFXCFSA-N 1 3 327.476 2.211 10 0 EEAEHO CC[C@@H](Cn1cncn1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000340478584 466113529 /nfs/dbraw/zinc/11/35/29/466113529.db2.gz SAZAYXQFAYKYFB-MOPGFXCFSA-N 1 3 327.476 2.211 10 0 EEAEHO C[C@@H](N[C@H]1CNCCC1(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000423472775 466754597 /nfs/dbraw/zinc/75/45/97/466754597.db2.gz IDJFTNIAUFQIKB-CJNGLKHVSA-N 1 3 327.419 2.275 10 0 EEAEHO C[NH2+]CCC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000417939728 466995452 /nfs/dbraw/zinc/99/54/52/466995452.db2.gz KWOZBASQBSWDPF-RTBURBONSA-N 1 3 344.503 2.463 10 0 EEAEHO CN1CC[C@H](NC(=O)NCCC[C@@H]2CCC[NH2+]2)[C@H]1c1ccccc1 ZINC000417946478 466998554 /nfs/dbraw/zinc/99/85/54/466998554.db2.gz RMGQTUXLILNZFG-OKZBNKHCSA-N 1 3 330.476 2.263 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418614652 467136283 /nfs/dbraw/zinc/13/62/83/467136283.db2.gz JJNTVUPZHPICQF-NZSAHSFTSA-N 1 3 344.503 2.290 10 0 EEAEHO C=Cn1cc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000397606847 467443536 /nfs/dbraw/zinc/44/35/36/467443536.db2.gz PYWFENIUAIFTAZ-UHFFFAOYSA-N 1 3 326.444 2.100 10 0 EEAEHO Cc1ccc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)c(OCCN(C)C)c1 ZINC000415203193 467517688 /nfs/dbraw/zinc/51/76/88/467517688.db2.gz KLTVYIBLQABJEL-ZBFHGGJFSA-N 1 3 334.464 2.055 10 0 EEAEHO C[C@H]([NH2+]C[C@H]1CCCCN1CCO)[C@H]1CCN(Cc2ccccc2)C1 ZINC000449396714 467638131 /nfs/dbraw/zinc/63/81/31/467638131.db2.gz MKDKTTMKGOPPFW-SESVDKBCSA-N 1 3 345.531 2.333 10 0 EEAEHO C[C@H](NC[C@H]1CCCCN1CCO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449396714 467638134 /nfs/dbraw/zinc/63/81/34/467638134.db2.gz MKDKTTMKGOPPFW-SESVDKBCSA-N 1 3 345.531 2.333 10 0 EEAEHO C[C@H](NC[C@H]1CCCCN1CCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449396714 467638138 /nfs/dbraw/zinc/63/81/38/467638138.db2.gz MKDKTTMKGOPPFW-SESVDKBCSA-N 1 3 345.531 2.333 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000515143570 467975915 /nfs/dbraw/zinc/97/59/15/467975915.db2.gz KYLSCDRBRCFMAY-ZAWLATJESA-N 1 3 344.503 2.194 10 0 EEAEHO CN1CC[C@@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)[C@H]1c1ccccc1 ZINC000515223335 467980906 /nfs/dbraw/zinc/98/09/06/467980906.db2.gz NVSYBGRXEGQBRC-PSBWJHGTSA-N 1 3 344.503 2.496 10 0 EEAEHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000601269346 468806136 /nfs/dbraw/zinc/80/61/36/468806136.db2.gz RAQINGNAOJCPTG-MOPGFXCFSA-N 1 3 346.519 2.331 10 0 EEAEHO CC[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)N1CCc2ccccc2C1 ZINC000561125639 468865665 /nfs/dbraw/zinc/86/56/65/468865665.db2.gz NSYCUKQAURAWGM-IPELMVKDSA-N 1 3 344.503 2.121 10 0 EEAEHO CN1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCc4ccccc4)C3)[C@@H]2C1 ZINC000615182553 469173399 /nfs/dbraw/zinc/17/33/99/469173399.db2.gz KMVRCICYOHMFHD-XUVXKRRUSA-N 1 3 341.499 2.104 10 0 EEAEHO CN1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCc4ccccc4)C3)[C@@H]2C1 ZINC000615182553 469173403 /nfs/dbraw/zinc/17/34/03/469173403.db2.gz KMVRCICYOHMFHD-XUVXKRRUSA-N 1 3 341.499 2.104 10 0 EEAEHO [NH3+][C@@H]1CN(C(=O)c2ccc3c(c2)CNC3)CC[C@H]1c1ccc(F)cc1 ZINC000573964364 469237786 /nfs/dbraw/zinc/23/77/86/469237786.db2.gz YXCFFLXKROKXGM-RBUKOAKNSA-N 1 3 339.414 2.386 10 0 EEAEHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000617007258 469568592 /nfs/dbraw/zinc/56/85/92/469568592.db2.gz OYMUHNVRAWGEOC-QZTJIDSGSA-N 1 3 329.488 2.498 10 0 EEAEHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000617007258 469568599 /nfs/dbraw/zinc/56/85/99/469568599.db2.gz OYMUHNVRAWGEOC-QZTJIDSGSA-N 1 3 329.488 2.498 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)cc1F ZINC000617503990 469702206 /nfs/dbraw/zinc/70/22/06/469702206.db2.gz DJWJEVFDWKDBCQ-LBPRGKRZSA-N 1 3 329.847 2.481 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)cc1F ZINC000617503990 469702211 /nfs/dbraw/zinc/70/22/11/469702211.db2.gz DJWJEVFDWKDBCQ-LBPRGKRZSA-N 1 3 329.847 2.481 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1cn(C)c2ccccc12 ZINC000617505228 469704377 /nfs/dbraw/zinc/70/43/77/469704377.db2.gz YLDKCXXDNQQMKZ-INIZCTEOSA-N 1 3 344.503 2.109 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1cn(C)c2ccccc12 ZINC000617505228 469704379 /nfs/dbraw/zinc/70/43/79/469704379.db2.gz YLDKCXXDNQQMKZ-INIZCTEOSA-N 1 3 344.503 2.109 10 0 EEAEHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000623717518 469743719 /nfs/dbraw/zinc/74/37/19/469743719.db2.gz DPWSMCVABIXGHQ-NUJGCVRESA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000623717518 469743721 /nfs/dbraw/zinc/74/37/21/469743721.db2.gz DPWSMCVABIXGHQ-NUJGCVRESA-N 1 3 336.524 2.423 10 0 EEAEHO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000608500926 469829872 /nfs/dbraw/zinc/82/98/72/469829872.db2.gz ZAJAMQGNVFLVIO-VQTJNVASSA-N 1 3 333.520 2.286 10 0 EEAEHO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000608500926 469829875 /nfs/dbraw/zinc/82/98/75/469829875.db2.gz ZAJAMQGNVFLVIO-VQTJNVASSA-N 1 3 333.520 2.286 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000627166279 469831218 /nfs/dbraw/zinc/83/12/18/469831218.db2.gz BCTXYGUPOQJAHN-NZSAHSFTSA-N 1 3 344.503 2.433 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C[NH2+]1 ZINC000627199908 469841657 /nfs/dbraw/zinc/84/16/57/469841657.db2.gz FZGAFFYZFHQITF-NXHRZFHOSA-N 1 3 330.476 2.043 10 0 EEAEHO CCN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000617929562 469842261 /nfs/dbraw/zinc/84/22/61/469842261.db2.gz MDEDHGJVYYOPJO-RTBURBONSA-N 1 3 344.503 2.236 10 0 EEAEHO CCN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617929562 469842266 /nfs/dbraw/zinc/84/22/66/469842266.db2.gz MDEDHGJVYYOPJO-RTBURBONSA-N 1 3 344.503 2.236 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000625285771 470112254 /nfs/dbraw/zinc/11/22/54/470112254.db2.gz GNLIXCPDHDYBOQ-ZWKOTPCHSA-N 1 3 335.467 2.271 10 0 EEAEHO CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000631661685 470176929 /nfs/dbraw/zinc/17/69/29/470176929.db2.gz BLXFJZQAORWNEX-QXAKKESOSA-N 1 3 327.476 2.414 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000646850199 470754996 /nfs/dbraw/zinc/75/49/96/470754996.db2.gz WVPRGKOWFGFHJE-ZWKOTPCHSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000646850199 470754998 /nfs/dbraw/zinc/75/49/98/470754998.db2.gz WVPRGKOWFGFHJE-ZWKOTPCHSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@H]1CN(CCCC[NH2+]Cc2ccnn2-c2ccccn2)C[C@H](C)O1 ZINC000647184941 470851833 /nfs/dbraw/zinc/85/18/33/470851833.db2.gz JCWOLBFJJKGWDK-IRXDYDNUSA-N 1 3 343.475 2.246 10 0 EEAEHO CC[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CO1 ZINC000657496930 471152639 /nfs/dbraw/zinc/15/26/39/471152639.db2.gz TZZJERIODZRIDI-OALUTQOASA-N 1 3 345.487 2.041 10 0 EEAEHO CC[C@H]1C[C@H](NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CO1 ZINC000657496930 471152644 /nfs/dbraw/zinc/15/26/44/471152644.db2.gz TZZJERIODZRIDI-OALUTQOASA-N 1 3 345.487 2.041 10 0 EEAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cc(-c2ccccc2)n[nH]1 ZINC000657572670 471172963 /nfs/dbraw/zinc/17/29/63/471172963.db2.gz BEQRITNYBHOCPP-INIZCTEOSA-N 1 3 329.492 2.438 10 0 EEAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc(Br)o1 ZINC000657574298 471173877 /nfs/dbraw/zinc/17/38/77/471173877.db2.gz VUWQVKGTNRIQRG-LBPRGKRZSA-N 1 3 332.286 2.404 10 0 EEAEHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000641247876 471252161 /nfs/dbraw/zinc/25/21/61/471252161.db2.gz FKQGWTVNKFOXEJ-PKOBYXMFSA-N 1 3 344.503 2.210 10 0 EEAEHO CN(C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000655467013 471338837 /nfs/dbraw/zinc/33/88/37/471338837.db2.gz CBTKCPGKHOCAHR-WSTZPKSXSA-N 1 3 327.472 2.109 10 0 EEAEHO CCN(C(=O)NCCC[N@H+](C)Cc1ccccc1)[C@@H]1CCN(C)C1 ZINC000663507040 471405347 /nfs/dbraw/zinc/40/53/47/471405347.db2.gz RQICDFKIKBXQHE-GOSISDBHSA-N 1 3 332.492 2.244 10 0 EEAEHO CCN(C(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCN(C)C1 ZINC000663507040 471405352 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EEAEHO CC[N@@H+](CCCNC(=O)N[C@H](CN)C(F)(F)F)C1CCCCC1 ZINC000655931512 471546384 /nfs/dbraw/zinc/54/63/84/471546384.db2.gz KPERWJHBCCSWRH-CYBMUJFWSA-N 1 3 338.418 2.220 10 0 EEAEHO CC[C@](C)(NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000663876378 471559584 /nfs/dbraw/zinc/55/95/84/471559584.db2.gz FHMOUIHJOJMGHJ-IBGZPJMESA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@]1(CNC(=O)NC[C@H]2CCCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000669565842 471560348 /nfs/dbraw/zinc/56/03/48/471560348.db2.gz LETRHDAHIHQUMI-UYAOXDASSA-N 1 3 344.503 2.482 10 0 EEAEHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1CCC(F)CC1 ZINC000666934826 471595473 /nfs/dbraw/zinc/59/54/73/471595473.db2.gz QUDXRKNNBFWMER-QQFBHYJXSA-N 1 3 330.492 2.038 10 0 EEAEHO CCN(CC)[C@@H](CNC(=O)NCC12CC(C1)C[NH2+]2)c1ccsc1 ZINC000659434366 471625164 /nfs/dbraw/zinc/62/51/64/471625164.db2.gz MDELPCWPBIXJTO-GULBITTBSA-N 1 3 336.505 2.182 10 0 EEAEHO CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCN(CC)C1 ZINC000664151307 471656878 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1191151631 /nfs/dbraw/zinc/15/16/31/1191151631.db2.gz TZWMRFFSIWSZTH-ATZDWAIDSA-N 1 3 344.503 2.186 10 0 EEAEHO CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC2CCOCC2)C1)N(CC)CC ZINC001484058113 1191180770 /nfs/dbraw/zinc/18/07/70/1191180770.db2.gz PKGQGKSQXPLECV-HKUYNNGSSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CC2CCOCC2)C1)N(CC)CC ZINC001484058113 1191180773 /nfs/dbraw/zinc/18/07/73/1191180773.db2.gz PKGQGKSQXPLECV-HKUYNNGSSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cc(CNCC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)on1 ZINC001484532858 1191401272 /nfs/dbraw/zinc/40/12/72/1191401272.db2.gz KSVIIFCAUJTBOZ-MRXNPFEDSA-N 1 3 348.491 2.186 10 0 EEAEHO COC[C@@H](C)[N@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@@H](C)C1 ZINC001484557156 1191413783 /nfs/dbraw/zinc/41/37/83/1191413783.db2.gz GBIANRPMEGSGBQ-IAGOWNOFSA-N 1 3 347.503 2.111 10 0 EEAEHO COC[C@@H](C)[N@@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@@H](C)C1 ZINC001484557156 1191413786 /nfs/dbraw/zinc/41/37/86/1191413786.db2.gz GBIANRPMEGSGBQ-IAGOWNOFSA-N 1 3 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ZINC001486221619 1193759209 /nfs/dbraw/zinc/75/92/09/1193759209.db2.gz UWVYXYHKKFEISJ-ZWKOTPCHSA-N 1 3 339.524 2.018 10 0 EEAEHO C[C@@H](F)CC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC001486240378 1193767024 /nfs/dbraw/zinc/76/70/24/1193767024.db2.gz LSULAPAQSNHBPK-CABCVRRESA-N 1 3 327.488 2.436 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCc2ncccc2C)C(C)(C)C1 ZINC001486246722 1193773249 /nfs/dbraw/zinc/77/32/49/1193773249.db2.gz QJSYLMQGRHVMDX-GOSISDBHSA-N 1 3 346.519 2.449 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2ncccc2C)C(C)(C)C1 ZINC001486246722 1193773254 /nfs/dbraw/zinc/77/32/54/1193773254.db2.gz QJSYLMQGRHVMDX-GOSISDBHSA-N 1 3 346.519 2.449 10 0 EEAEHO CC(C)N(CCN(C)CCc1ccccc1F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001486380015 1193891979 /nfs/dbraw/zinc/89/19/79/1193891979.db2.gz VPDYVRHYRDCUES-SFHVURJKSA-N 1 3 349.494 2.489 10 0 EEAEHO CC(C)N(CCN(C)CCc1ccccc1F)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001486380015 1193891982 /nfs/dbraw/zinc/89/19/82/1193891982.db2.gz VPDYVRHYRDCUES-SFHVURJKSA-N 1 3 349.494 2.489 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001486483440 1193997052 /nfs/dbraw/zinc/99/70/52/1193997052.db2.gz JQOBUDDFZFLPDE-WLYUNCDWSA-N 1 3 331.451 2.341 10 0 EEAEHO C[C@H](CCNCc1c(F)cccc1Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001273176003 1197344925 /nfs/dbraw/zinc/34/49/25/1197344925.db2.gz ODPKSJWDCCWDAI-OLZOCXBDSA-N 1 3 341.858 2.415 10 0 EEAEHO C[C@H](CCNCc1c(F)cccc1Cl)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273176003 1197344928 /nfs/dbraw/zinc/34/49/28/1197344928.db2.gz ODPKSJWDCCWDAI-OLZOCXBDSA-N 1 3 341.858 2.415 10 0 EEAEHO Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001410224514 1197615083 /nfs/dbraw/zinc/61/50/83/1197615083.db2.gz CWFSZSIOYJLYFM-SAABIXHNSA-N 1 3 349.523 2.097 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NC2CC[NH+](C(C)C)CC2)cc(Cl)n1 ZINC000826075827 1200695753 /nfs/dbraw/zinc/69/57/53/1200695753.db2.gz CNUJCHSXYFWERC-HNNXBMFYSA-N 1 3 338.883 2.422 10 0 EEAEHO C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000866414667 1201512388 /nfs/dbraw/zinc/51/23/88/1201512388.db2.gz RHQZUWXUDXRZOG-SXLOBPIMSA-N 1 3 345.531 2.332 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1([C@@H]2CCCCO2)CCC1 ZINC000869238363 1201971692 /nfs/dbraw/zinc/97/16/92/1201971692.db2.gz ZJQZEMPZERAABD-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1([C@@H]2CCCCO2)CCC1 ZINC000869238363 1201971695 /nfs/dbraw/zinc/97/16/95/1201971695.db2.gz ZJQZEMPZERAABD-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO COc1ccc(CNC/C=C/CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001274161455 1204420292 /nfs/dbraw/zinc/42/02/92/1204420292.db2.gz IOTIYRNNZJWHNC-NSCUHMNNSA-N 1 3 343.471 2.086 10 0 EEAEHO O=C(NC/C=C\CN[C@H]1CCc2ccc(F)cc21)C12CC[NH+](CC1)C2 ZINC001274508229 1205062665 /nfs/dbraw/zinc/06/26/65/1205062665.db2.gz HGWJUOXICQVSRS-LPQSXRFUSA-N 1 3 343.446 2.171 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCc1ccc(F)c(F)c1)N(C)C ZINC001274796701 1205166569 /nfs/dbraw/zinc/16/65/69/1205166569.db2.gz CBTJVPIDIPOZMH-DYVFJYSZSA-N 1 3 341.446 2.188 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)NC2CC(C[NH2+]CCC3CC3)C2)C1 ZINC001275284160 1205298672 /nfs/dbraw/zinc/29/86/72/1205298672.db2.gz FIEYIRCVCGPWGO-LADRWXRNSA-N 1 3 339.499 2.483 10 0 EEAEHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000924658063 1206012551 /nfs/dbraw/zinc/01/25/51/1206012551.db2.gz JPGKROWSPQKPRR-UYAOXDASSA-N 1 3 330.520 2.410 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC[C@@H]4C[C@@H]4CC3)CC2)CC1 ZINC000931217168 1206616937 /nfs/dbraw/zinc/61/69/37/1206616937.db2.gz NAKHLTBWKHYMKA-OSYLJGHBSA-N 1 3 333.520 2.488 10 0 EEAEHO C[C@H](C(=O)NC[C@@H]1CCN(C/C=C\Cl)C1)[NH+]1CCCCCC1 ZINC001493240155 1249799449 /nfs/dbraw/zinc/79/94/49/1249799449.db2.gz IIRVRYBOFZOZGH-ICFKLAHKSA-N 1 3 327.900 2.442 10 0 EEAEHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cc(OC)ccc1Cl)C2 ZINC000903492361 1240656939 /nfs/dbraw/zinc/65/69/39/1240656939.db2.gz BGEMHSRBBBJUSU-AHIWAGSCSA-N 1 3 338.835 2.061 10 0 EEAEHO c1cc([C@@H]2CCCN2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc2c1OCO2 ZINC000903729177 1241742769 /nfs/dbraw/zinc/74/27/69/1241742769.db2.gz JYWBEYJAXBHCCT-JTDSTZFVSA-N 1 3 330.428 2.321 10 0 EEAEHO Cn1cc(C[NH2+]C[C@@H]2CNCCC2(F)F)c(-c2cccs2)n1 ZINC000903955511 1242703541 /nfs/dbraw/zinc/70/35/41/1242703541.db2.gz TYCUSFOIKFMKLF-LBPRGKRZSA-N 1 3 326.416 2.483 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NC[C@H](C)[NH+]2CCCCC2)cc(Cl)n1 ZINC000827474389 1248159226 /nfs/dbraw/zinc/15/92/26/1248159226.db2.gz YFKUHIRUNCKIDO-DZGCQCFKSA-N 1 3 338.883 2.424 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](CNC/C(Cl)=C\Cl)C2)C1 ZINC001491183632 1258747826 /nfs/dbraw/zinc/74/78/26/1258747826.db2.gz FLNDTKPTEPLVHS-DKZLBQRBSA-N 1 3 334.291 2.085 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](CNC/C(Cl)=C\Cl)C2)C1 ZINC001491183632 1258747833 /nfs/dbraw/zinc/74/78/33/1258747833.db2.gz FLNDTKPTEPLVHS-DKZLBQRBSA-N 1 3 334.291 2.085 10 0 EEAEHO COc1ccc(CN2CCCC[C@H]2CNC(=O)CC[NH+](C)C)cc1C ZINC001491225825 1258810741 /nfs/dbraw/zinc/81/07/41/1258810741.db2.gz QBDWVUURBJWBGK-SFHVURJKSA-N 1 3 347.503 2.426 10 0 EEAEHO CCOCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001491287631 1258906401 /nfs/dbraw/zinc/90/64/01/1258906401.db2.gz OPKQDPFFJHWHTL-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO CCOCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001491287631 1258906407 /nfs/dbraw/zinc/90/64/07/1258906407.db2.gz OPKQDPFFJHWHTL-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO Cn1c(Cl)ncc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000850362894 1277198570 /nfs/dbraw/zinc/19/85/70/1277198570.db2.gz UEIQLPQCSMUYFX-UHFFFAOYSA-N 1 3 333.867 2.470 10 0 EEAEHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000851645946 1277699397 /nfs/dbraw/zinc/69/93/97/1277699397.db2.gz PESNHZXATKJBBZ-SFHVURJKSA-N 1 3 329.444 2.160 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C1CC[NH+](CCOCC2CCC2)CC1 ZINC001490425308 1291336545 /nfs/dbraw/zinc/33/65/45/1291336545.db2.gz QUUPKIZWGQMEKR-UHFFFAOYSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1ccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1F ZINC000853255407 1292341316 /nfs/dbraw/zinc/34/13/16/1292341316.db2.gz CZNRZOINMFMPGA-HNNXBMFYSA-N 1 3 338.471 2.205 10 0 EEAEHO Cc1ccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1F ZINC000853255407 1292341321 /nfs/dbraw/zinc/34/13/21/1292341321.db2.gz CZNRZOINMFMPGA-HNNXBMFYSA-N 1 3 338.471 2.205 10 0 EEAEHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(CCSc2ccccc2)CC1 ZINC000863550054 1296329258 /nfs/dbraw/zinc/32/92/58/1296329258.db2.gz MWYCWOOPHVFYJX-DLBZAZTESA-N 1 3 347.484 2.036 10 0 EEAEHO Cc1nc(C)c(CNCCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)o1 ZINC001276398907 1314731024 /nfs/dbraw/zinc/73/10/24/1314731024.db2.gz FBWGMQZJGZMHPU-ZIAGYGMSSA-N 1 3 336.480 2.102 10 0 EEAEHO CCN(CCCNC(=O)CC1CC[NH+](C)CC1)Cc1ccccn1 ZINC001265137044 1322941536 /nfs/dbraw/zinc/94/15/36/1322941536.db2.gz MLVCSGBEHZNPCW-UHFFFAOYSA-N 1 3 332.492 2.142 10 0 EEAEHO CCOCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001265706570 1323343701 /nfs/dbraw/zinc/34/37/01/1323343701.db2.gz XIXSZJVLZZEKNR-SJORKVTESA-N 1 3 341.540 2.218 10 0 EEAEHO CCOCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001265706570 1323343704 /nfs/dbraw/zinc/34/37/04/1323343704.db2.gz XIXSZJVLZZEKNR-SJORKVTESA-N 1 3 341.540 2.218 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCCc2ccsc2)C1)N(C)C ZINC001266016322 1323568559 /nfs/dbraw/zinc/56/85/59/1323568559.db2.gz WYHZPNYZVDJFQW-IRXDYDNUSA-N 1 3 337.533 2.459 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cccc(OC)c2)C1)N(C)C ZINC001280198007 1324110356 /nfs/dbraw/zinc/11/03/56/1324110356.db2.gz MRJOUOANMHFPBR-LPHOPBHVSA-N 1 3 347.503 2.364 10 0 EEAEHO Cc1ccncc1CN[C@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001284027332 1326369247 /nfs/dbraw/zinc/36/92/47/1326369247.db2.gz UNVSMQZTHURGTL-AEFFLSMTSA-N 1 3 332.492 2.201 10 0 EEAEHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CCCOc2ccccc2)C1 ZINC001284795358 1326718644 /nfs/dbraw/zinc/71/86/44/1326718644.db2.gz URMHGGNLNCRNFB-UHFFFAOYSA-N 1 3 342.443 2.000 10 0 EEAEHO Cc1nocc1CNC1CC(N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001284826807 1326731696 /nfs/dbraw/zinc/73/16/96/1326731696.db2.gz HNUVAUHATWJJNF-UHFFFAOYSA-N 1 3 348.491 2.328 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCCC(F)(F)F)C1 ZINC001491791046 1330257152 /nfs/dbraw/zinc/25/71/52/1330257152.db2.gz KAYVCIDVPCPBBZ-KGLIPLIRSA-N 1 3 335.414 2.251 10 0 EEAEHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1CCC[NH2+]CCF ZINC001316712633 1331858931 /nfs/dbraw/zinc/85/89/31/1331858931.db2.gz SLSAGSAVWSDJKA-NVXWUHKLSA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)OCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001316880485 1331947410 /nfs/dbraw/zinc/94/74/10/1331947410.db2.gz PNIBWRYTLQQGEB-IRXDYDNUSA-N 1 3 327.513 2.111 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C ZINC001317599130 1332318558 /nfs/dbraw/zinc/31/85/58/1332318558.db2.gz WTPMQUYUURLBGJ-CABCVRRESA-N 1 3 333.467 2.446 10 0 EEAEHO CC[C@H](C(=O)N(C)CC[NH2+]CC[C@@H]1CCc2ccccc21)N(C)C ZINC001317599335 1332318878 /nfs/dbraw/zinc/31/88/78/1332318878.db2.gz RQDFIRFNKXXNDY-PKOBYXMFSA-N 1 3 331.504 2.495 10 0 EEAEHO COCCCN1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317936004 1332446920 /nfs/dbraw/zinc/44/69/20/1332446920.db2.gz OOMOIHRZZNLQEL-MRXNPFEDSA-N 1 3 339.524 2.257 10 0 EEAEHO COCCCN1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001317936004 1332446921 /nfs/dbraw/zinc/44/69/21/1332446921.db2.gz OOMOIHRZZNLQEL-MRXNPFEDSA-N 1 3 339.524 2.257 10 0 EEAEHO C[C@@H](C[NH2+]CCc1c(F)cccc1F)N(C)C(=O)CN1CCCC1 ZINC001319572868 1332722943 /nfs/dbraw/zinc/72/29/43/1332722943.db2.gz FHOVECVCSISUTA-AWEZNQCLSA-N 1 3 339.430 2.040 10 0 EEAEHO C[C@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)CN1CC[C@H](C)C1 ZINC001320547969 1332907727 /nfs/dbraw/zinc/90/77/27/1332907727.db2.gz IGOAJNNOIATHAQ-JKSUJKDBSA-N 1 3 345.487 2.043 10 0 EEAEHO CCN(CCNCc1cccnc1)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001320890431 1332972839 /nfs/dbraw/zinc/97/28/39/1332972839.db2.gz YMWQXXQIQWXYNI-UHFFFAOYSA-N 1 3 344.503 2.142 10 0 EEAEHO Cc1ccc(C)c(C[NH2+]C/C=C\CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001321250000 1333055332 /nfs/dbraw/zinc/05/53/32/1333055332.db2.gz NCSGMUIKWTXYNB-CHYADLBTSA-N 1 3 329.488 2.407 10 0 EEAEHO Cc1cncc(C[NH2+]CCCN(C)C(=O)CN2CCC(C)CC2)c1 ZINC001322756816 1333320972 /nfs/dbraw/zinc/32/09/72/1333320972.db2.gz NPDDLENMPFWHJH-UHFFFAOYSA-N 1 3 332.492 2.060 10 0 EEAEHO CN(CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccccn2)C1)CC(C)(C)C ZINC001326363063 1334076483 /nfs/dbraw/zinc/07/64/83/1334076483.db2.gz DYJJNHRRASFWFK-QGZVFWFLSA-N 1 3 346.519 2.388 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001436359639 1342050586 /nfs/dbraw/zinc/05/05/86/1342050586.db2.gz RGFPPRBPHJNMGS-MWDXBVQZSA-N 1 3 327.488 2.482 10 0 EEAEHO COCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001565828938 1342564694 /nfs/dbraw/zinc/56/46/94/1342564694.db2.gz UOCNFGMAAQAXLV-ZWKOTPCHSA-N 1 3 339.524 2.209 10 0 EEAEHO COCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001565828938 1342564698 /nfs/dbraw/zinc/56/46/98/1342564698.db2.gz UOCNFGMAAQAXLV-ZWKOTPCHSA-N 1 3 339.524 2.209 10 0 EEAEHO COCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001565828937 1342564953 /nfs/dbraw/zinc/56/49/53/1342564953.db2.gz UOCNFGMAAQAXLV-ROUUACIJSA-N 1 3 339.524 2.209 10 0 EEAEHO COCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001565828937 1342564957 /nfs/dbraw/zinc/56/49/57/1342564957.db2.gz UOCNFGMAAQAXLV-ROUUACIJSA-N 1 3 339.524 2.209 10 0 EEAEHO CC(C)OCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001566854899 1342641415 /nfs/dbraw/zinc/64/14/15/1342641415.db2.gz QMBWXLRNBMPWEI-KSZLIROESA-N 1 3 339.524 2.301 10 0 EEAEHO C[C@H](NCc1cccc(Cl)n1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001570626548 1343093673 /nfs/dbraw/zinc/09/36/73/1343093673.db2.gz FEXRMIWLUZQQMH-STQMWFEESA-N 1 3 326.872 2.060 10 0 EEAEHO CCCCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001676768008 1357196853 /nfs/dbraw/zinc/19/68/53/1357196853.db2.gz RRTIEOJACHDUFR-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCOC(C)C)C1)N(C)C ZINC001656895257 1354296017 /nfs/dbraw/zinc/29/60/17/1354296017.db2.gz WMFYOFSMFAPLTG-DLBZAZTESA-N 1 3 327.513 2.112 10 0 EEAEHO CC(C)[C@H](C(=O)NC1CCC([NH2+]CCOC2CCC2)CC1)N(C)C ZINC001662127250 1354753260 /nfs/dbraw/zinc/75/32/60/1354753260.db2.gz ZKKFRKCEGNPIQT-LEOMRAHMSA-N 1 3 339.524 2.159 10 0 EEAEHO CC(C)COCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001662766320 1354841114 /nfs/dbraw/zinc/84/11/14/1354841114.db2.gz ICXOCZXUFJOSFV-IAGOWNOFSA-N 1 3 339.524 2.160 10 0 EEAEHO CCOCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001666172654 1355475832 /nfs/dbraw/zinc/47/58/32/1355475832.db2.gz KSQRGCXLBDAXHF-QZTJIDSGSA-N 1 3 339.524 2.116 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC/C=C/CNCc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC001668834150 1356016375 /nfs/dbraw/zinc/01/63/75/1356016375.db2.gz RVZMLLFJFRIVEX-PRXHZCDDSA-N 1 3 337.414 2.067 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC/C=C/CNCc2ccc(F)c(F)c2)CC[N@H+]1C ZINC001668834150 1356016377 /nfs/dbraw/zinc/01/63/77/1356016377.db2.gz RVZMLLFJFRIVEX-PRXHZCDDSA-N 1 3 337.414 2.067 10 0 EEAEHO CC(C)OCC[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001671784084 1356414032 /nfs/dbraw/zinc/41/40/32/1356414032.db2.gz CHEXEISYGLEWOM-LJQANCHMSA-N 1 3 341.540 2.218 10 0 EEAEHO Cc1ccncc1C[NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001672805252 1356588620 /nfs/dbraw/zinc/58/86/20/1356588620.db2.gz LKJIKQYPRJZEGX-KRWDZBQOSA-N 1 3 344.503 2.203 10 0 EEAEHO Cc1ccc(C)c(OCC[NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)c1 ZINC001698860145 1405117141 /nfs/dbraw/zinc/11/71/41/1405117141.db2.gz MQBDAAHNQWIRJR-SFHVURJKSA-N 1 3 347.503 2.215 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001698862501 1405118040 /nfs/dbraw/zinc/11/80/40/1405118040.db2.gz ZJFGPIXATCQBNF-STQMWFEESA-N 1 3 338.323 2.347 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001698862500 1405118380 /nfs/dbraw/zinc/11/83/80/1405118380.db2.gz ZJFGPIXATCQBNF-QWHCGFSZSA-N 1 3 338.323 2.347 10 0 EEAEHO Cc1csc(CNCC[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)n1 ZINC001699113042 1405268756 /nfs/dbraw/zinc/26/87/56/1405268756.db2.gz MIZDSMRQRPGLPR-CYBMUJFWSA-N 1 3 336.505 2.064 10 0 EEAEHO Cc1cc(C[NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C)sn1 ZINC001699533237 1405374794 /nfs/dbraw/zinc/37/47/94/1405374794.db2.gz GYSVUGBIPDVFJS-UHFFFAOYSA-N 1 3 340.537 2.368 10 0 EEAEHO C[C@H](F)CC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001699577494 1405402669 /nfs/dbraw/zinc/40/26/69/1405402669.db2.gz UBLMCSOTJCAUJX-HOCLYGCPSA-N 1 3 327.488 2.483 10 0 EEAEHO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC000818178929 785206105 /nfs/dbraw/zinc/20/61/05/785206105.db2.gz VNORQIPTDNUUHS-ZWKOTPCHSA-N 1 3 325.472 2.143 10 0 EEAEHO C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC000818178929 785206108 /nfs/dbraw/zinc/20/61/08/785206108.db2.gz VNORQIPTDNUUHS-ZWKOTPCHSA-N 1 3 325.472 2.143 10 0 EEAEHO c1ccc(CN2CC[C@@H]3OCCN(CC[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC000844401581 789069036 /nfs/dbraw/zinc/06/90/36/789069036.db2.gz MXYILVFLIDRXDZ-UXHICEINSA-N 1 3 329.488 2.058 10 0 EEAEHO C[C@H](C(=O)Nc1cccc2ncccc21)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495548 789652419 /nfs/dbraw/zinc/65/24/19/789652419.db2.gz CDQJDXHGGWPWRS-KFWWJZLASA-N 1 3 326.444 2.479 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)NC(C)(C)/C=C\Cl)CC2)CC1 ZINC000915501074 796288399 /nfs/dbraw/zinc/28/83/99/796288399.db2.gz YNZFNUQMJSGYHM-HJWRWDBZSA-N 1 3 342.915 2.375 10 0 EEAEHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001436474322 1087941128 /nfs/dbraw/zinc/94/11/28/1087941128.db2.gz GKNRRMBENGGCRD-ZWKOTPCHSA-N 1 3 339.524 2.258 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@H+](Cc3cccnc3)CC[C@H]21 ZINC001436946981 1088630248 /nfs/dbraw/zinc/63/02/48/1088630248.db2.gz VABDVTDAWAGNHH-RBUKOAKNSA-N 1 3 344.503 2.235 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@@H+](Cc3cccnc3)CC[C@H]21 ZINC001436946981 1088630253 /nfs/dbraw/zinc/63/02/53/1088630253.db2.gz VABDVTDAWAGNHH-RBUKOAKNSA-N 1 3 344.503 2.235 10 0 EEAEHO CCc1nocc1C[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001437327866 1089500677 /nfs/dbraw/zinc/50/06/77/1089500677.db2.gz VXDMWZNFFGOUHB-CVEARBPZSA-N 1 3 336.480 2.094 10 0 EEAEHO Cc1ccc(CN(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C2CC2)cc1 ZINC001437786652 1090373018 /nfs/dbraw/zinc/37/30/18/1090373018.db2.gz SFQCHYUDHSOVCH-HXUWFJFHSA-N 1 3 341.499 2.417 10 0 EEAEHO Cc1ccc(CN(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001437817911 1090411184 /nfs/dbraw/zinc/41/11/84/1090411184.db2.gz URNJUHHAPRGTTL-SFHVURJKSA-N 1 3 329.488 2.417 10 0 EEAEHO Cc1ccc(CN(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC001437817911 1090411188 /nfs/dbraw/zinc/41/11/88/1090411188.db2.gz URNJUHHAPRGTTL-SFHVURJKSA-N 1 3 329.488 2.417 10 0 EEAEHO CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001438142020 1090664265 /nfs/dbraw/zinc/66/42/65/1090664265.db2.gz FXGTZOGZKLYMCW-KDOFPFPSSA-N 1 3 327.488 2.293 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(OC)c1C ZINC001445498772 1091276732 /nfs/dbraw/zinc/27/67/32/1091276732.db2.gz IGFGYEHKSQXYHP-QAPCUYQASA-N 1 3 347.503 2.472 10 0 EEAEHO Cc1nc(CN[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)c(C)s1 ZINC001438775654 1091366611 /nfs/dbraw/zinc/36/66/11/1091366611.db2.gz QAXZLNZBMZFIPK-DOMZBBRYSA-N 1 3 338.521 2.038 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001439395924 1092147332 /nfs/dbraw/zinc/14/73/32/1092147332.db2.gz KACDJCPGBYWGMM-HNNXBMFYSA-N 1 3 330.476 2.446 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001439395924 1092147336 /nfs/dbraw/zinc/14/73/36/1092147336.db2.gz KACDJCPGBYWGMM-HNNXBMFYSA-N 1 3 330.476 2.446 10 0 EEAEHO CCO[C@@H](C[N@H+](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1)C1CC1 ZINC001448539984 1093577643 /nfs/dbraw/zinc/57/76/43/1093577643.db2.gz WHZJIRSVAITTTG-MSOLQXFVSA-N 1 3 339.524 2.065 10 0 EEAEHO CCO[C@@H](C[N@@H+](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1)C1CC1 ZINC001448539984 1093577646 /nfs/dbraw/zinc/57/76/46/1093577646.db2.gz WHZJIRSVAITTTG-MSOLQXFVSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccnc2)C1)N(C)C ZINC001440408144 1093600739 /nfs/dbraw/zinc/60/07/39/1093600739.db2.gz YPNZAEKNTZDKAX-JQHSSLGASA-N 1 3 332.492 2.042 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnoc3C)[C@@H]2C1 ZINC001449026397 1094034467 /nfs/dbraw/zinc/03/44/67/1094034467.db2.gz BHARVMFWJDNMMS-JQHSSLGASA-N 1 3 348.491 2.042 10 0 EEAEHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC001440844154 1094101815 /nfs/dbraw/zinc/10/18/15/1094101815.db2.gz VYOFQNPBAIAHPA-HOTGVXAUSA-N 1 3 349.519 2.140 10 0 EEAEHO Cc1ncc(C[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C)s1 ZINC001449324631 1094276495 /nfs/dbraw/zinc/27/64/95/1094276495.db2.gz MTDMKZVHUJKLDH-HNNXBMFYSA-N 1 3 340.537 2.412 10 0 EEAEHO CC(C)(C(=O)NCC1[C@H]2CN(C/C=C/Cl)C[C@@H]12)[NH+]1CCCCC1 ZINC001441262521 1094669220 /nfs/dbraw/zinc/66/92/20/1094669220.db2.gz CTBYZHZXCLWKMG-XGJYMRIXSA-N 1 3 339.911 2.297 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)[C@@H](C[NH2+]Cc2cccc(F)c2)C2CC2)C1 ZINC001441447847 1095083147 /nfs/dbraw/zinc/08/31/47/1095083147.db2.gz KRPIYOSMBPOKIW-BEFAXECRSA-N 1 3 347.478 2.494 10 0 EEAEHO Cc1ncc(CN[C@@H](C)CN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)s1 ZINC001441534942 1095247544 /nfs/dbraw/zinc/24/75/44/1095247544.db2.gz IXXMWTUVMHOLSC-DZGCQCFKSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1ncc(CN[C@@H](C)CN(C)C(=O)CC[C@H]2CCC[N@H+]2C)s1 ZINC001441534942 1095247559 /nfs/dbraw/zinc/24/75/59/1095247559.db2.gz IXXMWTUVMHOLSC-DZGCQCFKSA-N 1 3 338.521 2.262 10 0 EEAEHO C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)NCc1cncs1 ZINC001441606933 1095463447 /nfs/dbraw/zinc/46/34/47/1095463447.db2.gz YGMAULQEYCSKPN-CYBMUJFWSA-N 1 3 326.510 2.058 10 0 EEAEHO C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)NCc1cncs1 ZINC001441606933 1095463450 /nfs/dbraw/zinc/46/34/50/1095463450.db2.gz YGMAULQEYCSKPN-CYBMUJFWSA-N 1 3 326.510 2.058 10 0 EEAEHO CC[C@@H](F)CN[C@H](C)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001441629191 1095510122 /nfs/dbraw/zinc/51/01/22/1095510122.db2.gz SMUJENBFVQDCBS-RHSMWYFYSA-N 1 3 327.488 2.293 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC001441687968 1095671408 /nfs/dbraw/zinc/67/14/08/1095671408.db2.gz UKYUZQQOYQLJAH-IRXDYDNUSA-N 1 3 332.492 2.139 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC001441687968 1095671422 /nfs/dbraw/zinc/67/14/22/1095671422.db2.gz UKYUZQQOYQLJAH-IRXDYDNUSA-N 1 3 332.492 2.139 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2ccc(C)nc2C)CC[N@@H+]1C ZINC001441855062 1095949476 /nfs/dbraw/zinc/94/94/76/1095949476.db2.gz GFPOPJIXFMKTPV-JCGIZDLHSA-N 1 3 332.492 2.023 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2ccc(C)nc2C)CC[N@H+]1C ZINC001441855062 1095949482 /nfs/dbraw/zinc/94/94/82/1095949482.db2.gz GFPOPJIXFMKTPV-JCGIZDLHSA-N 1 3 332.492 2.023 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1cc(C)ccc1OC ZINC001441876049 1095995298 /nfs/dbraw/zinc/99/52/98/1095995298.db2.gz YMBMABCETLLGMN-AEFFLSMTSA-N 1 3 347.503 2.472 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1cc(C)ccc1OC ZINC001441876049 1095995305 /nfs/dbraw/zinc/99/53/05/1095995305.db2.gz YMBMABCETLLGMN-AEFFLSMTSA-N 1 3 347.503 2.472 10 0 EEAEHO CC[N@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CC[C@@H](C)F ZINC001442721735 1097094903 /nfs/dbraw/zinc/09/49/03/1097094903.db2.gz SIGMACKJXFQXHX-RHSMWYFYSA-N 1 3 333.467 2.385 10 0 EEAEHO CC[N@@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CC[C@@H](C)F ZINC001442721735 1097094910 /nfs/dbraw/zinc/09/49/10/1097094910.db2.gz SIGMACKJXFQXHX-RHSMWYFYSA-N 1 3 333.467 2.385 10 0 EEAEHO CN(CCF)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001443370672 1097892020 /nfs/dbraw/zinc/89/20/20/1097892020.db2.gz LMDKIMKSWAOXHC-DLBZAZTESA-N 1 3 327.488 2.247 10 0 EEAEHO C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H](NCc2cc(F)ccc2F)C1 ZINC001479475465 1098557690 /nfs/dbraw/zinc/55/76/90/1098557690.db2.gz PUZSDMHPGIJDQA-XJKSGUPXSA-N 1 3 339.430 2.291 10 0 EEAEHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCOCC2CC2)C1)N(C)C ZINC001479688061 1098748672 /nfs/dbraw/zinc/74/86/72/1098748672.db2.gz ONNHZCBPXFRZSC-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ncoc1CN1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001444222421 1098781719 /nfs/dbraw/zinc/78/17/19/1098781719.db2.gz NGGFWLIAAVKVMZ-NVXWUHKLSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1ncoc1CN1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001444222421 1098781728 /nfs/dbraw/zinc/78/17/28/1098781728.db2.gz NGGFWLIAAVKVMZ-NVXWUHKLSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1cccnc1C[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001479987672 1099448476 /nfs/dbraw/zinc/44/84/76/1099448476.db2.gz GNENGKIORJCGIT-SFHVURJKSA-N 1 3 344.503 2.201 10 0 EEAEHO COc1cccc([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)c1 ZINC001444731442 1099607247 /nfs/dbraw/zinc/60/72/47/1099607247.db2.gz RJERJDLJQUQVOP-CVEARBPZSA-N 1 3 333.476 2.289 10 0 EEAEHO CC(C)OCCN1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001480323648 1100069987 /nfs/dbraw/zinc/06/99/87/1100069987.db2.gz KTZOWVKODMIVER-BZSNNMDCSA-N 1 3 339.524 2.112 10 0 EEAEHO 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C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000246348169 160275504 /nfs/dbraw/zinc/27/55/04/160275504.db2.gz PEFQCXXDDJEGCZ-ZWKOTPCHSA-N 1 3 334.508 2.154 10 0 EEAEHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000246348169 160275505 /nfs/dbraw/zinc/27/55/05/160275505.db2.gz PEFQCXXDDJEGCZ-ZWKOTPCHSA-N 1 3 334.508 2.154 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)N(C)C)cc1 ZINC000247203680 160314596 /nfs/dbraw/zinc/31/45/96/160314596.db2.gz LSNALJRMZLWEQD-NEWSRXKRSA-N 1 3 344.503 2.476 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)N(C)C)cc1 ZINC000247203680 160314597 /nfs/dbraw/zinc/31/45/97/160314597.db2.gz LSNALJRMZLWEQD-NEWSRXKRSA-N 1 3 344.503 2.476 10 0 EEAEHO CC[NH2+]Cc1cccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000364213869 165054142 /nfs/dbraw/zinc/05/41/42/165054142.db2.gz RIASYFAEDMEHEG-TXPKVOOTSA-N 1 3 331.460 2.267 10 0 EEAEHO CCN(CCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)C1CC1 ZINC000369927110 166358694 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CN(C)Cc1csc(CN2CCC[C@@](O)(C[NH+]3CCCC3)C2)c1 ZINC000077378120 289226810 /nfs/dbraw/zinc/22/68/10/289226810.db2.gz RAKSYAGBVCLOOF-GOSISDBHSA-N 1 3 337.533 2.232 10 0 EEAEHO C[C@H](CC(=O)N[C@@H](Cc1ccccc1)CN(C)C)[C@H]1CCC[NH2+]C1 ZINC000262650052 292726859 /nfs/dbraw/zinc/72/68/59/292726859.db2.gz LCDLPYGHSWALSX-NEWSRXKRSA-N 1 3 331.504 2.301 10 0 EEAEHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000414296899 312993567 /nfs/dbraw/zinc/99/35/67/312993567.db2.gz FSHYEZOIYKPKBA-PKOBYXMFSA-N 1 3 332.488 2.418 10 0 EEAEHO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@@H](N)CC(C)C)C1 ZINC000414733625 313071552 /nfs/dbraw/zinc/07/15/52/313071552.db2.gz CTTAXTCZCKPSAE-KGLIPLIRSA-N 1 3 337.430 2.483 10 0 EEAEHO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](C[C@@H](N)CC(C)C)C1 ZINC000414733625 313071555 /nfs/dbraw/zinc/07/15/55/313071555.db2.gz CTTAXTCZCKPSAE-KGLIPLIRSA-N 1 3 337.430 2.483 10 0 EEAEHO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414771096 313082728 /nfs/dbraw/zinc/08/27/28/313082728.db2.gz ZCABXMKWQVYACM-HNAYVOBHSA-N 1 3 345.487 2.202 10 0 EEAEHO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414771096 313082729 /nfs/dbraw/zinc/08/27/29/313082729.db2.gz ZCABXMKWQVYACM-HNAYVOBHSA-N 1 3 345.487 2.202 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)N(C)C)cc1 ZINC000416840723 313331580 /nfs/dbraw/zinc/33/15/80/313331580.db2.gz LFPFMWULNCRSBU-OLMNPRSZSA-N 1 3 332.492 2.149 10 0 EEAEHO CN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416849647 313335777 /nfs/dbraw/zinc/33/57/77/313335777.db2.gz YLEQLSLLCFGMHA-TUVJXNFZSA-N 1 3 342.487 2.185 10 0 EEAEHO C[C@@H]([NH3+])[C@@H](C)NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000417219908 313453604 /nfs/dbraw/zinc/45/36/04/313453604.db2.gz XGGRFPUHEDJNFC-JFIYKMOQSA-N 1 3 332.492 2.495 10 0 EEAEHO [NH3+][C@@H](CNC(=O)N1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000418434546 313812939 /nfs/dbraw/zinc/81/29/39/313812939.db2.gz VVHWGCRQMIFCQM-SFHVURJKSA-N 1 3 330.476 2.346 10 0 EEAEHO CN1CC[C@@H](NC(=O)NCC2([NH3+])CCCCC2)[C@H]1c1ccccc1 ZINC000578306561 320306025 /nfs/dbraw/zinc/30/60/25/320306025.db2.gz UTGIIRAQNPQYLH-IAGOWNOFSA-N 1 3 330.476 2.393 10 0 EEAEHO CC(C)[NH2+]CCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000581538210 324274777 /nfs/dbraw/zinc/27/47/77/324274777.db2.gz INQPBBGGRDRCHY-GOSISDBHSA-N 1 3 332.492 2.290 10 0 EEAEHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000342357325 465313673 /nfs/dbraw/zinc/31/36/73/465313673.db2.gz SGRGPKKONGBCKS-MAUKXSAKSA-N 1 3 336.524 2.233 10 0 EEAEHO CCC[C@@H](C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[NH+](C)C ZINC000164184810 463616502 /nfs/dbraw/zinc/61/65/02/463616502.db2.gz XUADJCNLBLWZEB-YJBOKZPZSA-N 1 3 332.492 2.454 10 0 EEAEHO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000170855486 463723525 /nfs/dbraw/zinc/72/35/25/463723525.db2.gz CTBRNDLJNRKLTH-WMZOPIPTSA-N 1 3 333.451 2.200 10 0 EEAEHO CC1CCN([C@H](CNC(=O)C2([NH3+])CCOCC2)c2ccccc2)CC1 ZINC000261902324 463894156 /nfs/dbraw/zinc/89/41/56/463894156.db2.gz RTVJKGXWAIZFEZ-GOSISDBHSA-N 1 3 345.487 2.084 10 0 EEAEHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCN(C2CC2)CC1 ZINC000194673751 463907141 /nfs/dbraw/zinc/90/71/41/463907141.db2.gz GPPUDTJYTXHPSC-IXDOHACOSA-N 1 3 336.524 2.233 10 0 EEAEHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCN(C2CC2)CC1 ZINC000194673751 463907145 /nfs/dbraw/zinc/90/71/45/463907145.db2.gz GPPUDTJYTXHPSC-IXDOHACOSA-N 1 3 336.524 2.233 10 0 EEAEHO Cc1nc2ccccn2c(=O)c1CC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000284076951 464083378 /nfs/dbraw/zinc/08/33/78/464083378.db2.gz RFUFDCVFZKIMJL-KRWDZBQOSA-N 1 3 342.487 2.352 10 0 EEAEHO Cc1nc2ccccn2c(=O)c1CC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000284076951 464083382 /nfs/dbraw/zinc/08/33/82/464083382.db2.gz RFUFDCVFZKIMJL-KRWDZBQOSA-N 1 3 342.487 2.352 10 0 EEAEHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000270344055 464252293 /nfs/dbraw/zinc/25/22/93/464252293.db2.gz MBFFDJLEQYEZMA-OAOYMFHYSA-N 1 3 342.487 2.214 10 0 EEAEHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000270344055 464252301 /nfs/dbraw/zinc/25/23/01/464252301.db2.gz MBFFDJLEQYEZMA-OAOYMFHYSA-N 1 3 342.487 2.214 10 0 EEAEHO C[C@@H]1CN(CC2CCN(C(=O)CCCCCC[NH3+])CC2)C[C@H](C)O1 ZINC000237663026 464360812 /nfs/dbraw/zinc/36/08/12/464360812.db2.gz VNITWLYNNGQVPI-CALCHBBNSA-N 1 3 339.524 2.243 10 0 EEAEHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@H](N3CC=CC3)C2)C1 ZINC000174264485 464385606 /nfs/dbraw/zinc/38/56/06/464385606.db2.gz NUPBSEZDECDZRN-KURKYZTESA-N 1 3 348.535 2.399 10 0 EEAEHO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182352400 464633544 /nfs/dbraw/zinc/63/35/44/464633544.db2.gz YQQOOHDHXPOWLW-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CCOC(=O)[C@H](CC(C)C)[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182352400 464633548 /nfs/dbraw/zinc/63/35/48/464633548.db2.gz YQQOOHDHXPOWLW-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000249752513 464912777 /nfs/dbraw/zinc/91/27/77/464912777.db2.gz DNTXGFJDLUTEDN-MOPGFXCFSA-N 1 3 344.503 2.435 10 0 EEAEHO CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000249752513 464912784 /nfs/dbraw/zinc/91/27/84/464912784.db2.gz DNTXGFJDLUTEDN-MOPGFXCFSA-N 1 3 344.503 2.435 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000177359715 464995530 /nfs/dbraw/zinc/99/55/30/464995530.db2.gz NSXXKDWWMLHNKN-SFHVURJKSA-N 1 3 332.492 2.374 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000177359715 464995532 /nfs/dbraw/zinc/99/55/32/464995532.db2.gz NSXXKDWWMLHNKN-SFHVURJKSA-N 1 3 332.492 2.374 10 0 EEAEHO C[N@@H+]1CC[C@H](NCc2ccc(Cn3cncn3)cc2)[C@@H]2CCC[C@@H]21 ZINC000367615999 466451411 /nfs/dbraw/zinc/45/14/11/466451411.db2.gz MTHXDRDIAHXFCT-FHWLQOOXSA-N 1 3 325.460 2.289 10 0 EEAEHO C[N@H+]1CC[C@H](NCc2ccc(Cn3cncn3)cc2)[C@@H]2CCC[C@@H]21 ZINC000367615999 466451420 /nfs/dbraw/zinc/45/14/20/466451420.db2.gz MTHXDRDIAHXFCT-FHWLQOOXSA-N 1 3 325.460 2.289 10 0 EEAEHO CC[NH+](CC)[C@H](C)CNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000350747138 466595566 /nfs/dbraw/zinc/59/55/66/466595566.db2.gz KRQJXEYSMBDAQJ-QGZVFWFLSA-N 1 3 334.508 2.490 10 0 EEAEHO COC(=O)C(C)(C)CC[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000354516269 466623471 /nfs/dbraw/zinc/62/34/71/466623471.db2.gz UYTGGKNMJNXLEO-UHFFFAOYSA-N 1 3 339.524 2.116 10 0 EEAEHO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc4c(c3F)CCNC4)C2)C1 ZINC000415975565 466716756 /nfs/dbraw/zinc/71/67/56/466716756.db2.gz QAOZKUGVIYFHRP-GOSISDBHSA-N 1 3 332.423 2.031 10 0 EEAEHO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc4c(c3F)CCNC4)C2)C1 ZINC000415975565 466716760 /nfs/dbraw/zinc/71/67/60/466716760.db2.gz QAOZKUGVIYFHRP-GOSISDBHSA-N 1 3 332.423 2.031 10 0 EEAEHO CN(CCNC(=O)NC[C@@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000417228237 466809915 /nfs/dbraw/zinc/80/99/15/466809915.db2.gz FALANDHORIKCCU-GOSISDBHSA-N 1 3 326.444 2.118 10 0 EEAEHO C[C@]1(CNC(=O)NCC[C@@H]2CC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000418044859 467032887 /nfs/dbraw/zinc/03/28/87/467032887.db2.gz NMSYXZXUPNEOKG-FXAWDEMLSA-N 1 3 344.503 2.340 10 0 EEAEHO C[NH+](C)CCOc1ccccc1C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000378080984 467194082 /nfs/dbraw/zinc/19/40/82/467194082.db2.gz VWWMBAMQNYQDFG-UHFFFAOYSA-N 1 3 342.443 2.370 10 0 EEAEHO C[NH+](C)CCOc1ccccc1C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000378080984 467194085 /nfs/dbraw/zinc/19/40/85/467194085.db2.gz VWWMBAMQNYQDFG-UHFFFAOYSA-N 1 3 342.443 2.370 10 0 EEAEHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000386250682 467389994 /nfs/dbraw/zinc/38/99/94/467389994.db2.gz DAJOJYQKRRXADV-LELZANKISA-N 1 3 343.515 2.254 10 0 EEAEHO CN(C(=O)[C@@H](C[NH3+])c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000386716384 467390862 /nfs/dbraw/zinc/39/08/62/467390862.db2.gz WTIGFWBUFDPJGN-UXHICEINSA-N 1 3 337.467 2.462 10 0 EEAEHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414930324 467452943 /nfs/dbraw/zinc/45/29/43/467452943.db2.gz ALFKLMGUXZPQFB-YDHLFZDLSA-N 1 3 335.448 2.009 10 0 EEAEHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)c1 ZINC000414930324 467452947 /nfs/dbraw/zinc/45/29/47/467452947.db2.gz ALFKLMGUXZPQFB-YDHLFZDLSA-N 1 3 335.448 2.009 10 0 EEAEHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3CCCCN3CCO)CC2)C1 ZINC000449389425 467635620 /nfs/dbraw/zinc/63/56/20/467635620.db2.gz CTWVUYAZFJAZPE-MISYRCLQSA-N 1 3 337.552 2.466 10 0 EEAEHO CC[C@H]([NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(=O)NC ZINC000449767880 467711627 /nfs/dbraw/zinc/71/16/27/467711627.db2.gz BGBRPSDBNUYHCA-ZSYWTGECSA-N 1 3 329.488 2.401 10 0 EEAEHO C[C@@H]1CC[C@](CO)(N(C)CCC[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)C1 ZINC000495196955 468082912 /nfs/dbraw/zinc/08/29/12/468082912.db2.gz SWCWSNFQYJTANL-RDGPPVDQSA-N 1 3 326.525 2.342 10 0 EEAEHO C[C@@H]1CC[C@](CO)(N(C)CCC[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)C1 ZINC000495196955 468082915 /nfs/dbraw/zinc/08/29/15/468082915.db2.gz SWCWSNFQYJTANL-RDGPPVDQSA-N 1 3 326.525 2.342 10 0 EEAEHO C[C@@H]1CC[C@](CO)([N@@H+](C)CCCN(C)[C@@]2(CO)CC[C@H](C)C2)C1 ZINC000495196955 468082919 /nfs/dbraw/zinc/08/29/19/468082919.db2.gz SWCWSNFQYJTANL-RDGPPVDQSA-N 1 3 326.525 2.342 10 0 EEAEHO C[C@@H]1CC[C@](CO)([N@H+](C)CCCN(C)[C@@]2(CO)CC[C@H](C)C2)C1 ZINC000495196955 468082921 /nfs/dbraw/zinc/08/29/21/468082921.db2.gz SWCWSNFQYJTANL-RDGPPVDQSA-N 1 3 326.525 2.342 10 0 EEAEHO O[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)CN1CCCC1 ZINC000519399459 468158972 /nfs/dbraw/zinc/15/89/72/468158972.db2.gz QBEWBXLWZCCSJD-VQTJNVASSA-N 1 3 343.515 2.230 10 0 EEAEHO CC[N@@H+]1CC[C@H](NC[C@@H](Cc2ccc(F)cc2C)C(=O)NC)[C@@H](C)C1 ZINC000563127613 469177417 /nfs/dbraw/zinc/17/74/17/469177417.db2.gz YGHLUXDHFNESGV-WDYCEAGBSA-N 1 3 349.494 2.359 10 0 EEAEHO CC[N@H+]1CC[C@H](NC[C@@H](Cc2ccc(F)cc2C)C(=O)NC)[C@@H](C)C1 ZINC000563127613 469177420 /nfs/dbraw/zinc/17/74/20/469177420.db2.gz YGHLUXDHFNESGV-WDYCEAGBSA-N 1 3 349.494 2.359 10 0 EEAEHO CC(C)[C@H]1CCCC[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000607241325 469677783 /nfs/dbraw/zinc/67/77/83/469677783.db2.gz IEZUGURGUISNLC-SJORKVTESA-N 1 3 326.529 2.336 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cn1ccc2ccc(F)cc21 ZINC000617502269 469699496 /nfs/dbraw/zinc/69/94/96/469699496.db2.gz JFWRZRSIIJDAFC-HNNXBMFYSA-N 1 3 348.466 2.169 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cn1ccc2ccc(F)cc21 ZINC000617502269 469699500 /nfs/dbraw/zinc/69/95/00/469699500.db2.gz JFWRZRSIIJDAFC-HNNXBMFYSA-N 1 3 348.466 2.169 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)cc(F)c1N ZINC000617506890 469706981 /nfs/dbraw/zinc/70/69/81/469706981.db2.gz BOFFUSKZANHVCG-NSHDSACASA-N 1 3 344.862 2.063 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)cc(F)c1N ZINC000617506890 469706985 /nfs/dbraw/zinc/70/69/85/469706985.db2.gz BOFFUSKZANHVCG-NSHDSACASA-N 1 3 344.862 2.063 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(Cl)c1F ZINC000617506404 469707062 /nfs/dbraw/zinc/70/70/62/469707062.db2.gz MCPZDWJTLBFIFD-LBPRGKRZSA-N 1 3 329.847 2.481 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(Cl)c1F ZINC000617506404 469707066 /nfs/dbraw/zinc/70/70/66/469707066.db2.gz MCPZDWJTLBFIFD-LBPRGKRZSA-N 1 3 329.847 2.481 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)NC2CCN(Cc3ccccc3)CC2)C[NH2+]1 ZINC000626917638 469753603 /nfs/dbraw/zinc/75/36/03/469753603.db2.gz DQOPOOWSSPPRKM-CRAIPNDOSA-N 1 3 330.476 2.091 10 0 EEAEHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626930678 469759247 /nfs/dbraw/zinc/75/92/47/469759247.db2.gz GKFZAOLUKBXGPS-LPHOPBHVSA-N 1 3 344.503 2.399 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)N[C@H](CN2CCCC2)c2ccccc2)C[NH2+]1 ZINC000626934702 469760978 /nfs/dbraw/zinc/76/09/78/469760978.db2.gz LTDOXEQTFLBSPB-KBAYOESNSA-N 1 3 330.476 2.263 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000627039477 469799041 /nfs/dbraw/zinc/79/90/41/469799041.db2.gz XVORMNZPAYGLNM-LEUOFYLZSA-N 1 3 330.476 2.089 10 0 EEAEHO C[C@](O)(C[C@@H](O)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CC1 ZINC000634702404 470281614 /nfs/dbraw/zinc/28/16/14/470281614.db2.gz GOYJUYQOZPCWLP-TYPHKJRUSA-N 1 3 346.515 2.053 10 0 EEAEHO C[C@](O)(C[C@@H](O)CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000634702404 470281616 /nfs/dbraw/zinc/28/16/16/470281616.db2.gz GOYJUYQOZPCWLP-TYPHKJRUSA-N 1 3 346.515 2.053 10 0 EEAEHO C[C@](O)(C[C@@H](O)CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000634702404 470281617 /nfs/dbraw/zinc/28/16/17/470281617.db2.gz GOYJUYQOZPCWLP-TYPHKJRUSA-N 1 3 346.515 2.053 10 0 EEAEHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NC/C=C/C[NH3+] ZINC000641869439 470504542 /nfs/dbraw/zinc/50/45/42/470504542.db2.gz ACNCLHTXXMRASN-IPLHWJFFSA-N 1 3 330.476 2.055 10 0 EEAEHO Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(F)c1F ZINC000633613732 470531837 /nfs/dbraw/zinc/53/18/37/470531837.db2.gz DRLPBJAFQYLUHP-ZDUSSCGKSA-N 1 3 327.419 2.275 10 0 EEAEHO Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(F)c1F ZINC000633613732 470531841 /nfs/dbraw/zinc/53/18/41/470531841.db2.gz DRLPBJAFQYLUHP-ZDUSSCGKSA-N 1 3 327.419 2.275 10 0 EEAEHO Cc1cc(NC(=O)C[C@H]2CC[NH2+]C2)cc(N2CCN(C(C)C)CC2)c1 ZINC000646542117 470673653 /nfs/dbraw/zinc/67/36/53/470673653.db2.gz SDDOXWZJYUHBJR-QGZVFWFLSA-N 1 3 344.503 2.464 10 0 EEAEHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2)C1 ZINC000657596867 471179464 /nfs/dbraw/zinc/17/94/64/471179464.db2.gz PCHFBCAGLHOZQS-OALUTQOASA-N 1 3 330.472 2.445 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)NCCC2(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000652165727 471248766 /nfs/dbraw/zinc/24/87/66/471248766.db2.gz XXTHMJOJVVHZSP-SJLPKXTDSA-N 1 3 344.503 2.468 10 0 EEAEHO CCN1CC[C@H]([NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)[C@@H](C)C1 ZINC000658344925 471291193 /nfs/dbraw/zinc/29/11/93/471291193.db2.gz SOZZCTRWIAFHMN-JBACZVJFSA-N 1 3 344.547 2.123 10 0 EEAEHO CC[N@@H+]1CC[C@H](NC[C@H]2CN(C)CCN2Cc2ccccc2)[C@@H](C)C1 ZINC000658344925 471291196 /nfs/dbraw/zinc/29/11/96/471291196.db2.gz SOZZCTRWIAFHMN-JBACZVJFSA-N 1 3 344.547 2.123 10 0 EEAEHO CC[N@H+]1CC[C@H](NC[C@H]2CN(C)CCN2Cc2ccccc2)[C@@H](C)C1 ZINC000658344925 471291199 /nfs/dbraw/zinc/29/11/99/471291199.db2.gz SOZZCTRWIAFHMN-JBACZVJFSA-N 1 3 344.547 2.123 10 0 EEAEHO CN(C)Cc1cc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)ccc1F ZINC000655714800 471453369 /nfs/dbraw/zinc/45/33/69/471453369.db2.gz DAEPSFRZIFERAS-GOSISDBHSA-N 1 3 335.467 2.230 10 0 EEAEHO CC(C)[C@H]1CN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CCN1 ZINC000669514831 471529942 /nfs/dbraw/zinc/52/99/42/471529942.db2.gz MFVYTEQPOMAQKN-LJQANCHMSA-N 1 3 329.488 2.299 10 0 EEAEHO CCCN1CCN(c2ccccc2CN[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000656195178 471629450 /nfs/dbraw/zinc/62/94/50/471629450.db2.gz WJVGYNMDDDSKTK-INIZCTEOSA-N 1 3 344.425 2.198 10 0 EEAEHO C[C@@H](NC(C)(C)CNC(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000659454718 471635836 /nfs/dbraw/zinc/63/58/36/471635836.db2.gz NFLLJQITRLKWLX-TZGCNFNXSA-N 1 3 330.476 2.167 10 0 EEAEHO CN(C)[C@@]1(CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CCSC1 ZINC000662489890 472125907 /nfs/dbraw/zinc/12/59/07/472125907.db2.gz YDGXETALBURUPB-VQIMIIECSA-N 1 3 347.528 2.232 10 0 EEAEHO CC1CCN([C@@H](CNC(=O)NC/C=C/C[NH3+])c2cccs2)CC1 ZINC000668644705 472207744 /nfs/dbraw/zinc/20/77/44/472207744.db2.gz LZTMSSSJXZQKNX-FAAWYNLUSA-N 1 3 336.505 2.335 10 0 EEAEHO [NH3+][C@@H]1CN(C(=O)C2(NC3CC3)CCC2)CC[C@H]1c1ccc(F)cc1 ZINC000662815515 472264282 /nfs/dbraw/zinc/26/42/82/472264282.db2.gz GADFYPDAWBJPPD-DLBZAZTESA-N 1 3 331.435 2.144 10 0 EEAEHO CN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000680502181 485987096 /nfs/dbraw/zinc/98/70/96/485987096.db2.gz NKHTZSYAMDXBSU-LJQANCHMSA-N 1 3 346.519 2.492 10 0 EEAEHO Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)CCCO2 ZINC000675822049 486076428 /nfs/dbraw/zinc/07/64/28/486076428.db2.gz RJFYPWGTFOXWFW-AEFFLSMTSA-N 1 3 345.487 2.386 10 0 EEAEHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000676647898 486272160 /nfs/dbraw/zinc/27/21/60/486272160.db2.gz LEYGKPFOOWAMBL-YJBOKZPZSA-N 1 3 345.491 2.000 10 0 EEAEHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000676647898 486272163 /nfs/dbraw/zinc/27/21/63/486272163.db2.gz LEYGKPFOOWAMBL-YJBOKZPZSA-N 1 3 345.491 2.000 10 0 EEAEHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000676647898 486272168 /nfs/dbraw/zinc/27/21/68/486272168.db2.gz LEYGKPFOOWAMBL-YJBOKZPZSA-N 1 3 345.491 2.000 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]CCC2(C)OCCO2)CC1 ZINC000759175207 577638493 /nfs/dbraw/zinc/63/84/93/577638493.db2.gz BQBDUGYYHCJASC-UHFFFAOYSA-N 1 3 347.503 2.461 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]CCc2ccnn2C)CC1 ZINC000762555356 577703168 /nfs/dbraw/zinc/70/31/68/577703168.db2.gz GYHKXOGTVHTWRR-UHFFFAOYSA-N 1 3 341.503 2.284 10 0 EEAEHO [NH3+][C@H]1CC[C@H](N(c2ccccn2)C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000895116758 683955117 /nfs/dbraw/zinc/95/51/17/683955117.db2.gz SWECHQJYLWAGOB-ZHALLVOQSA-N 1 3 344.503 2.411 10 0 EEAEHO C[C@@H]([NH2+]CCC1CCCCC1)[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001485642811 1191876549 /nfs/dbraw/zinc/87/65/49/1191876549.db2.gz FTAGTPFFPLWUEL-CRAIPNDOSA-N 1 3 348.491 2.128 10 0 EEAEHO O=C(C1CC[NH+](CC2CC2)CC1)N1CCCC[C@H]1CNCCF ZINC001266879435 1177691999 /nfs/dbraw/zinc/69/19/99/1177691999.db2.gz ABWCLCJTHXEOKP-KRWDZBQOSA-N 1 3 325.472 2.049 10 0 EEAEHO Cc1ccc(CNCCN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)c(C)n1 ZINC001267118039 1178281947 /nfs/dbraw/zinc/28/19/47/1178281947.db2.gz ZYNXDQFXGDWMFO-LJQANCHMSA-N 1 3 346.519 2.367 10 0 EEAEHO Cc1cc(CNCCN(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)sn1 ZINC001267455990 1179039348 /nfs/dbraw/zinc/03/93/48/1179039348.db2.gz JEMOVEIAHAUWCE-LSDHHAIUSA-N 1 3 338.521 2.120 10 0 EEAEHO Cc1cc(C[NH2+]CCC2CCN(C(=O)[C@@H]3CCCCN3C)CC2)on1 ZINC001267912639 1180753450 /nfs/dbraw/zinc/75/34/50/1180753450.db2.gz WKVDCOCUOHPABH-SFHVURJKSA-N 1 3 348.491 2.186 10 0 EEAEHO COc1cccc(CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)c1 ZINC001268055339 1181612333 /nfs/dbraw/zinc/61/23/33/1181612333.db2.gz OPUPGRCRFPHFTK-VQIMIIECSA-N 1 3 347.503 2.159 10 0 EEAEHO CC(C)OCCCN1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481696740 1182230263 /nfs/dbraw/zinc/23/02/63/1182230263.db2.gz STTRGXWDGXLVGA-ZWKOTPCHSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1oncc1CNCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001268374605 1182382644 /nfs/dbraw/zinc/38/26/44/1182382644.db2.gz WVIACDTWOIPTLT-KBXCAEBGSA-N 1 3 348.491 2.374 10 0 EEAEHO Cc1oncc1CNCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001268374605 1182382649 /nfs/dbraw/zinc/38/26/49/1182382649.db2.gz WVIACDTWOIPTLT-KBXCAEBGSA-N 1 3 348.491 2.374 10 0 EEAEHO CCN(CCNCc1cccnc1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268458717 1182739501 /nfs/dbraw/zinc/73/95/01/1182739501.db2.gz QPXJOFWECMEKPK-MSOLQXFVSA-N 1 3 330.476 2.037 10 0 EEAEHO CCN(CCNCc1cccnc1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001268458717 1182739511 /nfs/dbraw/zinc/73/95/11/1182739511.db2.gz QPXJOFWECMEKPK-MSOLQXFVSA-N 1 3 330.476 2.037 10 0 EEAEHO C[N@@H+]1CC[C@@H](C(=O)NC/C=C\CNCc2ccc(Cl)s2)C1 ZINC001268628068 1183551112 /nfs/dbraw/zinc/55/11/12/1183551112.db2.gz YPVFLRPOZUDJQM-ZZKXABKFSA-N 1 3 327.881 2.115 10 0 EEAEHO C[N@H+]1CC[C@@H](C(=O)NC/C=C\CNCc2ccc(Cl)s2)C1 ZINC001268628068 1183551116 /nfs/dbraw/zinc/55/11/16/1183551116.db2.gz YPVFLRPOZUDJQM-ZZKXABKFSA-N 1 3 327.881 2.115 10 0 EEAEHO Cc1cc(C)cc(OCC[NH2+]C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)c1 ZINC001268661582 1183589653 /nfs/dbraw/zinc/58/96/53/1183589653.db2.gz ACZWDSGWWXMFED-CRAIPNDOSA-N 1 3 347.503 2.118 10 0 EEAEHO C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)CN(C)C1CCC1 ZINC001268690750 1183614172 /nfs/dbraw/zinc/61/41/72/1183614172.db2.gz FTQSKVBBLRCEEQ-AWEZNQCLSA-N 1 3 337.895 2.461 10 0 EEAEHO CCOCCCN1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269297286 1184148845 /nfs/dbraw/zinc/14/88/45/1184148845.db2.gz XBXMWKCJUIBLHM-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO C[C@@H](C[NH2+]CCc1ccccc1Cl)N(C)C(=O)[C@@H]1CCCN1C ZINC001270921288 1185741867 /nfs/dbraw/zinc/74/18/67/1185741867.db2.gz HUYVBLKEHBYEIH-YOEHRIQHSA-N 1 3 337.895 2.413 10 0 EEAEHO COc1cccc([C@H](C)N(C)CCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001482628197 1187453459 /nfs/dbraw/zinc/45/34/59/1187453459.db2.gz HZGGWBGGPQRYKM-SJORKVTESA-N 1 3 347.503 2.488 10 0 EEAEHO COc1cccc([C@H](C)N(C)CCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001482628197 1187453463 /nfs/dbraw/zinc/45/34/63/1187453463.db2.gz HZGGWBGGPQRYKM-SJORKVTESA-N 1 3 347.503 2.488 10 0 EEAEHO Cc1cnc(CNCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)s1 ZINC001482890679 1187817814 /nfs/dbraw/zinc/81/78/14/1187817814.db2.gz YEUHFWUMPIZDIL-SWLSCSKDSA-N 1 3 326.510 2.022 10 0 EEAEHO CCN(CCNCc1cc(C)ns1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482929944 1187850710 /nfs/dbraw/zinc/85/07/10/1187850710.db2.gz LXOFDXJXIBPNCF-OAHLLOKOSA-N 1 3 338.521 2.264 10 0 EEAEHO CCN(CCNCc1cc(C)ns1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001482929944 1187850717 /nfs/dbraw/zinc/85/07/17/1187850717.db2.gz LXOFDXJXIBPNCF-OAHLLOKOSA-N 1 3 338.521 2.264 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC/C=C\CN[C@H]2CCc3c2cccc3F)C1 ZINC001483082599 1188445049 /nfs/dbraw/zinc/44/50/49/1188445049.db2.gz SLJMGWDKTORWDT-RITUYPHNSA-N 1 3 345.462 2.417 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC/C=C\CN[C@H]2CCc3c2cccc3F)C1 ZINC001483082599 1188445052 /nfs/dbraw/zinc/44/50/52/1188445052.db2.gz SLJMGWDKTORWDT-RITUYPHNSA-N 1 3 345.462 2.417 10 0 EEAEHO CC(C)OCC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001691628712 1188775755 /nfs/dbraw/zinc/77/57/55/1188775755.db2.gz AYTXGFFNJZXZKD-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO COc1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C2CCC2)ccc1C ZINC001409381998 1189605408 /nfs/dbraw/zinc/60/54/08/1189605408.db2.gz PKCMJJRYCMOUIN-CVEARBPZSA-N 1 3 347.503 2.471 10 0 EEAEHO C[C@@H](C[NH2+]Cc1cccc2cccnc21)NC(=O)CN1CC[C@H](C)C1 ZINC001483266115 1190290360 /nfs/dbraw/zinc/29/03/60/1190290360.db2.gz DIDLYKQKAVDNJJ-HOTGVXAUSA-N 1 3 340.471 2.171 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCOC1CCC1 ZINC001483441450 1190481973 /nfs/dbraw/zinc/48/19/73/1190481973.db2.gz ADMHSVRFWHUCHC-NVXWUHKLSA-N 1 3 348.491 2.094 10 0 EEAEHO CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1c(C)nsc1C)N(C)C ZINC001483492324 1190509423 /nfs/dbraw/zinc/50/94/23/1190509423.db2.gz DCBXONLZCGAPEG-HNNXBMFYSA-N 1 3 326.510 2.038 10 0 EEAEHO Cc1ccc(F)c(C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001483607545 1190586355 /nfs/dbraw/zinc/58/63/55/1190586355.db2.gz MIHSRAHNVBWHSR-GOSISDBHSA-N 1 3 335.467 2.459 10 0 EEAEHO CCCC[C@@H](CNCc1scnc1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001409843947 1190676454 /nfs/dbraw/zinc/67/64/54/1190676454.db2.gz OGCCXJUFNNYIPU-GJZGRUSLSA-N 1 3 338.521 2.168 10 0 EEAEHO CCCC[C@@H](CNCc1scnc1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001409843947 1190676457 /nfs/dbraw/zinc/67/64/57/1190676457.db2.gz OGCCXJUFNNYIPU-GJZGRUSLSA-N 1 3 338.521 2.168 10 0 EEAEHO C[NH+]1CCC(C(=O)NCC2(NCc3ccc(F)c(F)c3)CC2)CC1 ZINC001483765474 1190999536 /nfs/dbraw/zinc/99/95/36/1190999536.db2.gz YSQFFDZDGHDROW-UHFFFAOYSA-N 1 3 337.414 2.045 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C3CC3)no2)C[C@H]1C ZINC001483915580 1191115146 /nfs/dbraw/zinc/11/51/46/1191115146.db2.gz YCUFYLONBSEKLZ-GDBMZVCRSA-N 1 3 348.491 2.361 10 0 EEAEHO CN(CC(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1F)C1CCC1 ZINC001483934327 1191123264 /nfs/dbraw/zinc/12/32/64/1191123264.db2.gz OPBORUNDSNEXAS-SFHVURJKSA-N 1 3 347.478 2.433 10 0 EEAEHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CN(CCCCCF)CCC2(F)F)C1 ZINC001484195567 1191267608 /nfs/dbraw/zinc/26/76/08/1191267608.db2.gz HZILFOJIPNRRKW-CABCVRRESA-N 1 3 349.441 2.151 10 0 EEAEHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(CCCCCF)CCC2(F)F)C1 ZINC001484195567 1191267609 /nfs/dbraw/zinc/26/76/09/1191267609.db2.gz HZILFOJIPNRRKW-CABCVRRESA-N 1 3 349.441 2.151 10 0 EEAEHO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)CCO2)c1 ZINC001484700567 1191472221 /nfs/dbraw/zinc/47/22/21/1191472221.db2.gz OUCYQVJFLXIAFI-IEBWSBKVSA-N 1 3 347.503 2.213 10 0 EEAEHO COCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001484726773 1191486209 /nfs/dbraw/zinc/48/62/09/1191486209.db2.gz RFXCMGUIVIZIGF-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO COCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001484726773 1191486211 /nfs/dbraw/zinc/48/62/11/1191486211.db2.gz RFXCMGUIVIZIGF-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO CCC1([NH2+]C[C@@H]2CCCCO2)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001484809184 1191531978 /nfs/dbraw/zinc/53/19/78/1191531978.db2.gz CGIKQYSHIIWVCX-IRXDYDNUSA-N 1 3 337.508 2.011 10 0 EEAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001485157853 1191673248 /nfs/dbraw/zinc/67/32/48/1191673248.db2.gz VOXHYSRNSSNDOT-CHWSQXEVSA-N 1 3 339.430 2.432 10 0 EEAEHO Cc1cccnc1CN[C@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001485228919 1191698299 /nfs/dbraw/zinc/69/82/99/1191698299.db2.gz FZQOQGSUCRKRJO-IAGOWNOFSA-N 1 3 332.492 2.249 10 0 EEAEHO COc1cccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001486221548 1193759347 /nfs/dbraw/zinc/75/93/47/1193759347.db2.gz TUHBBKHLZVVLMG-MSOLQXFVSA-N 1 3 347.503 2.410 10 0 EEAEHO CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC001486241791 1193768700 /nfs/dbraw/zinc/76/87/00/1193768700.db2.gz ZITQBHUVWXLKSO-IAGOWNOFSA-N 1 3 341.540 2.072 10 0 EEAEHO CC[C@H](C(=O)N(C)C1CC(NCc2cnoc2C)C1)[NH+](CC)CC ZINC001486476097 1193989647 /nfs/dbraw/zinc/98/96/47/1193989647.db2.gz MIJYKRXVGHUHHH-OFLPRAFFSA-N 1 3 336.480 2.182 10 0 EEAEHO CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC([NH2+]CCCF)C1 ZINC001486476807 1193990212 /nfs/dbraw/zinc/99/02/12/1193990212.db2.gz ONOZYVPUGYGIFC-MQBCKMQZSA-N 1 3 331.451 2.138 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]Cc2cccc(N(C)C)c2)C1 ZINC001486483737 1193997503 /nfs/dbraw/zinc/99/75/03/1193997503.db2.gz PRRGFYINLYXMDK-UHFFFAOYSA-N 1 3 346.519 2.172 10 0 EEAEHO Cc1ccc(F)cc1C[NH2+][C@@H](C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001410430920 1197876608 /nfs/dbraw/zinc/87/66/08/1197876608.db2.gz DZCIUWZGQXBYJU-ZBFHGGJFSA-N 1 3 335.467 2.412 10 0 EEAEHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCc1ccc(F)c(F)c1 ZINC001410489584 1198043480 /nfs/dbraw/zinc/04/34/80/1198043480.db2.gz UFTUPCGBXOGXNR-ZFWWWQNUSA-N 1 3 339.430 2.243 10 0 EEAEHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1ccc(F)c(F)c1 ZINC001410489584 1198043488 /nfs/dbraw/zinc/04/34/88/1198043488.db2.gz UFTUPCGBXOGXNR-ZFWWWQNUSA-N 1 3 339.430 2.243 10 0 EEAEHO CC(=O)Nc1cccc(NC(=O)[C@@H](C)N(C)CCCCCC[NH3+])c1 ZINC000872155130 1198062269 /nfs/dbraw/zinc/06/22/69/1198062269.db2.gz LRVNSMCWQIGZBT-CQSZACIVSA-N 1 3 334.464 2.423 10 0 EEAEHO CN(C)C1(C(=O)NC/C=C\C[NH2+][C@@H]2CCc3ccccc32)CCC1 ZINC001274088135 1204364050 /nfs/dbraw/zinc/36/40/50/1204364050.db2.gz GEPZXXNYKPCZGD-OOFWQKGWSA-N 1 3 327.472 2.420 10 0 EEAEHO CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]CCOC2CCC2)CC1)N(C)C ZINC001274345432 1205006196 /nfs/dbraw/zinc/00/61/96/1205006196.db2.gz SYZWUGKLMPGDKB-KRWDZBQOSA-N 1 3 339.524 2.112 10 0 EEAEHO CCCCC[NH+]1CCC2(CC1)CN(C(=O)[C@H](CC)N(C)C)CCO2 ZINC001274863391 1205191583 /nfs/dbraw/zinc/19/15/83/1205191583.db2.gz VOJUBKTZLUHTIK-KRWDZBQOSA-N 1 3 339.524 2.210 10 0 EEAEHO CCN(CC)C[C@@H](F)C(=O)N1CCCC[C@H]1C[NH2+]C/C=C/Cl ZINC001275003956 1205232090 /nfs/dbraw/zinc/23/20/90/1205232090.db2.gz HFERLKMUXZRXSM-LPXAQJHASA-N 1 3 333.879 2.390 10 0 EEAEHO O=C(NCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccccc1F ZINC000925497485 1206119582 /nfs/dbraw/zinc/11/95/82/1206119582.db2.gz ZWZAQRDFXUWBAS-WMZOPIPTSA-N 1 3 333.451 2.313 10 0 EEAEHO Cc1cccc(OC[C@H](O)CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925571295 1206129875 /nfs/dbraw/zinc/12/98/75/1206129875.db2.gz ZCZHNMKDDIUVRE-RLLQIKCJSA-N 1 3 332.488 2.493 10 0 EEAEHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccc(CN3CCNC3=O)cc2)C1 ZINC000925728809 1206146894 /nfs/dbraw/zinc/14/68/94/1206146894.db2.gz WUPOLIFUVHKHAF-DLBZAZTESA-N 1 3 330.476 2.207 10 0 EEAEHO CC1(C)C[C@@H](NCc2ccc(CN3CCNC3=O)cc2)C[C@@H]([NH3+])C1 ZINC000925728812 1206147289 /nfs/dbraw/zinc/14/72/89/1206147289.db2.gz WUPOLIFUVHKHAF-SJORKVTESA-N 1 3 330.476 2.207 10 0 EEAEHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cccc(N2CCOCC2)c1 ZINC000925780030 1206153546 /nfs/dbraw/zinc/15/35/46/1206153546.db2.gz QOJKIFXBZJFWTH-GOEBONIOSA-N 1 3 339.430 2.419 10 0 EEAEHO CCO[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)[C@@H]1SC ZINC000926638719 1206233808 /nfs/dbraw/zinc/23/38/08/1206233808.db2.gz LIOXXPAYQSYEFS-RPDHEGIESA-N 1 3 328.522 2.127 10 0 EEAEHO CCO[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)[C@@H]1SC ZINC000926638719 1206233809 /nfs/dbraw/zinc/23/38/09/1206233809.db2.gz LIOXXPAYQSYEFS-RPDHEGIESA-N 1 3 328.522 2.127 10 0 EEAEHO CN(C)c1ccc(NC(=O)CCN2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000795311781 1212501227 /nfs/dbraw/zinc/50/12/27/1212501227.db2.gz SPCUCYVAWKBRPY-IBGZPJMESA-N 1 3 330.476 2.109 10 0 EEAEHO CN(C)c1ccc(NC(=O)CCN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000795311781 1212501234 /nfs/dbraw/zinc/50/12/34/1212501234.db2.gz SPCUCYVAWKBRPY-IBGZPJMESA-N 1 3 330.476 2.109 10 0 EEAEHO O=C(Nc1ccc(CCN2CCSCC2)cc1)C12CC[NH+](CC1)C2 ZINC000900435710 1234353148 /nfs/dbraw/zinc/35/31/48/1234353148.db2.gz CVTNFPWLUAHTKU-UHFFFAOYSA-N 1 3 345.512 2.312 10 0 EEAEHO c1nnn([C@@H]2CCC[NH2+]C2)c1CNCC[C@@H]1CCc2ccccc2N1 ZINC000903931585 1242550440 /nfs/dbraw/zinc/55/04/40/1242550440.db2.gz FSSWLDDREPLONC-DLBZAZTESA-N 1 3 340.475 2.109 10 0 EEAEHO CCOCCN1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001491235725 1258824154 /nfs/dbraw/zinc/82/41/54/1258824154.db2.gz GMBAUKVEIPNXCD-IBGZPJMESA-N 1 3 347.503 2.369 10 0 EEAEHO C[NH+](C)CCCCC(=O)NC[C@@H]1CCCCN1C[C@@H]1CCCCO1 ZINC001491231094 1258833475 /nfs/dbraw/zinc/83/34/75/1258833475.db2.gz RDFINLINFDKNJL-ROUUACIJSA-N 1 3 339.524 2.258 10 0 EEAEHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CCc1ccc(Cl)cc1)N(C)C ZINC001491495706 1259145844 /nfs/dbraw/zinc/14/58/44/1259145844.db2.gz PRJXMUSTMGQBNO-XJKSGUPXSA-N 1 3 325.884 2.317 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@H](CC[NH2+]CCF)C2)C1 ZINC001267892908 1276782316 /nfs/dbraw/zinc/78/23/16/1276782316.db2.gz IOZFDRNFMUXXSH-CRAIPNDOSA-N 1 3 345.478 2.387 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001490605484 1291515903 /nfs/dbraw/zinc/51/59/03/1291515903.db2.gz FQXOMWBULZSUMH-ZHMISCPASA-N 1 3 327.900 2.442 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CC12CC[NH+](CC1CC(F)(F)C1)CC2 ZINC001490607453 1291518431 /nfs/dbraw/zinc/51/84/31/1291518431.db2.gz CFGPLMPYRMLPGA-OAHLLOKOSA-N 1 3 343.462 2.343 10 0 EEAEHO Cc1ccc(C[NH2+][C@@H](CNC(=O)CN2CC[C@@H](C)C2)C2CC2)cc1F ZINC001490708624 1291592381 /nfs/dbraw/zinc/59/23/81/1291592381.db2.gz CWXGPIFRRFHJTO-KUHUBIRLSA-N 1 3 347.478 2.460 10 0 EEAEHO C[N@@H+]1CC[C@H](NC[C@H]2COCCN2C(=O)OC(C)(C)C)CC1(C)C ZINC000858281059 1294070281 /nfs/dbraw/zinc/07/02/81/1294070281.db2.gz CKWRQELYAJGUDN-GJZGRUSLSA-N 1 3 341.496 2.085 10 0 EEAEHO C[N@H+]1CC[C@H](NC[C@H]2COCCN2C(=O)OC(C)(C)C)CC1(C)C ZINC000858281059 1294070284 /nfs/dbraw/zinc/07/02/84/1294070284.db2.gz CKWRQELYAJGUDN-GJZGRUSLSA-N 1 3 341.496 2.085 10 0 EEAEHO CC[NH+]1CCC(NC(=O)CN2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CC1 ZINC000859930880 1294710981 /nfs/dbraw/zinc/71/09/81/1294710981.db2.gz ILWLFZGTPLLVCV-YSIASYRMSA-N 1 3 341.499 2.322 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1)N(C)C ZINC001490928324 1299584687 /nfs/dbraw/zinc/58/46/87/1299584687.db2.gz MGBZKBBIMIYNTO-LPWJVIDDSA-N 1 3 336.307 2.147 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)NCc2ccc(C)nc2C)C1 ZINC001491558325 1303520046 /nfs/dbraw/zinc/52/00/46/1303520046.db2.gz JFMCENQESHJEOY-QFBILLFUSA-N 1 3 346.519 2.415 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)NCc2ccc(C)nc2C)C1 ZINC001491558325 1303520049 /nfs/dbraw/zinc/52/00/49/1303520049.db2.gz JFMCENQESHJEOY-QFBILLFUSA-N 1 3 346.519 2.415 10 0 EEAEHO Cc1ccc(C)c(OCC[NH2+][C@H](C)CN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001277946071 1305235586 /nfs/dbraw/zinc/23/55/86/1305235586.db2.gz NUSUIUCTOZIFHW-MRXNPFEDSA-N 1 3 344.459 2.085 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCc1cccc(Cl)n1 ZINC001277974242 1305426388 /nfs/dbraw/zinc/42/63/88/1305426388.db2.gz UAPOPEBZDZKNEF-HNNXBMFYSA-N 1 3 338.883 2.157 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCc1cccc(Cl)n1 ZINC001277974242 1305426402 /nfs/dbraw/zinc/42/64/02/1305426402.db2.gz UAPOPEBZDZKNEF-HNNXBMFYSA-N 1 3 338.883 2.157 10 0 EEAEHO COCCCN1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265235614 1323002551 /nfs/dbraw/zinc/00/25/51/1323002551.db2.gz SSOOKXZPNMMGNY-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001265235614 1323002555 /nfs/dbraw/zinc/00/25/55/1323002555.db2.gz SSOOKXZPNMMGNY-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001265235614 1323002557 /nfs/dbraw/zinc/00/25/57/1323002557.db2.gz SSOOKXZPNMMGNY-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CCCCOCC[N@@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001280746806 1324472918 /nfs/dbraw/zinc/47/29/18/1324472918.db2.gz LLAWPUNAGBDWNC-KRWDZBQOSA-N 1 3 339.524 2.258 10 0 EEAEHO CCCCOCC[N@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001280746806 1324472923 /nfs/dbraw/zinc/47/29/23/1324472923.db2.gz LLAWPUNAGBDWNC-KRWDZBQOSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001491581016 1330172533 /nfs/dbraw/zinc/17/25/33/1330172533.db2.gz YZOMUPZSFHDUFJ-STQMWFEESA-N 1 3 341.858 2.415 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@H](NCc2nccs2)C1 ZINC001491891741 1330291874 /nfs/dbraw/zinc/29/18/74/1330291874.db2.gz NPNZOZUZEOHZQN-GJZGRUSLSA-N 1 3 338.521 2.392 10 0 EEAEHO C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)NCc1c(F)cccc1F ZINC001492113375 1330482945 /nfs/dbraw/zinc/48/29/45/1330482945.db2.gz SHDBVXWSPRDGOG-CYBMUJFWSA-N 1 3 337.414 2.045 10 0 EEAEHO COc1cccc(CCC[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001317069068 1332068452 /nfs/dbraw/zinc/06/84/52/1332068452.db2.gz DOZPSMRDGZZBBU-SFHVURJKSA-N 1 3 347.503 2.159 10 0 EEAEHO CC1CCN(CC(=O)N2CCC[C@@H](C[NH2+]C/C=C\Cl)C2)CC1 ZINC001317162985 1332106744 /nfs/dbraw/zinc/10/67/44/1332106744.db2.gz YBXCUMLZZDSVLI-QTONRWBISA-N 1 3 327.900 2.299 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC001317306120 1332172364 /nfs/dbraw/zinc/17/23/64/1332172364.db2.gz WYZHYRATKRDIOF-INIZCTEOSA-N 1 3 342.443 2.002 10 0 EEAEHO CCc1ccc(CC[NH2+]CCN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001317595910 1332316380 /nfs/dbraw/zinc/31/63/80/1332316380.db2.gz LZXFWSQQQLHRTM-UHFFFAOYSA-N 1 3 331.504 2.324 10 0 EEAEHO COCCCCN1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001317993842 1332458729 /nfs/dbraw/zinc/45/87/29/1332458729.db2.gz DQGHVRVMXNEMEQ-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2cccnc2C)CC1)N(C)C ZINC001318928470 1332625525 /nfs/dbraw/zinc/62/55/25/1332625525.db2.gz HRIRTKHWYBWYSJ-IBGZPJMESA-N 1 3 346.519 2.449 10 0 EEAEHO Cc1ncc(CNCCCN(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC001322852371 1333341167 /nfs/dbraw/zinc/34/11/67/1333341167.db2.gz NEIWDPGDWWJEOW-KRWDZBQOSA-N 1 3 336.480 2.042 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CC/C=C/c2ccccc2)C1 ZINC001499119843 1342108243 /nfs/dbraw/zinc/10/82/43/1342108243.db2.gz IPDRVQGRSORUSN-OIFJWEAHSA-N 1 3 327.472 2.232 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CC/C=C/c2ccccc2)C1 ZINC001499119843 1342108245 /nfs/dbraw/zinc/10/82/45/1342108245.db2.gz IPDRVQGRSORUSN-OIFJWEAHSA-N 1 3 327.472 2.232 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001566909946 1342650494 /nfs/dbraw/zinc/65/04/94/1342650494.db2.gz IOOYAFQGPCFHSG-IBGZPJMESA-N 1 3 331.504 2.399 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCCO)c1ccccc1 ZINC001567663057 1342807986 /nfs/dbraw/zinc/80/79/86/1342807986.db2.gz FUOGXLJYQIMNEB-RBUKOAKNSA-N 1 3 347.503 2.079 10 0 EEAEHO Cc1ccncc1CN(C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001660329054 1354441234 /nfs/dbraw/zinc/44/12/34/1354441234.db2.gz DCMMZJNHMALSLS-RBUKOAKNSA-N 1 3 344.503 2.345 10 0 EEAEHO Cc1ccncc1CN(C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001660329054 1354441238 /nfs/dbraw/zinc/44/12/38/1354441238.db2.gz DCMMZJNHMALSLS-RBUKOAKNSA-N 1 3 344.503 2.345 10 0 EEAEHO Cc1ncccc1CN(C)CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001660369193 1354450975 /nfs/dbraw/zinc/45/09/75/1354450975.db2.gz RKCFRJCUZOYDJZ-HKUYNNGSSA-N 1 3 346.519 2.449 10 0 EEAEHO COCCCCC[NH+]1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001660775784 1354536552 /nfs/dbraw/zinc/53/65/52/1354536552.db2.gz GNLXHADFZQRKPQ-UHFFFAOYSA-N 1 3 339.524 2.210 10 0 EEAEHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+]CCCCCF)C2)CCC1 ZINC001661787644 1354697030 /nfs/dbraw/zinc/69/70/30/1354697030.db2.gz CXRSNMNMNSTNFH-INIZCTEOSA-N 1 3 327.488 2.439 10 0 EEAEHO Cc1ncoc1CN[C@@H]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001662791723 1354847956 /nfs/dbraw/zinc/84/79/56/1354847956.db2.gz ROVNUKHJAJZTAC-CVEARBPZSA-N 1 3 336.480 2.232 10 0 EEAEHO CC(C)[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCF ZINC001667494170 1355750357 /nfs/dbraw/zinc/75/03/57/1355750357.db2.gz SSMMILWQWOZUHL-RHSMWYFYSA-N 1 3 333.467 2.289 10 0 EEAEHO CCN(CC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)CN(C)C(C)C ZINC001668651914 1355979315 /nfs/dbraw/zinc/97/93/15/1355979315.db2.gz BNRXOCLYDKLTGX-UHFFFAOYSA-N 1 3 331.504 2.454 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C\CNCc2cccnc2C)C1 ZINC001668995023 1356062908 /nfs/dbraw/zinc/06/29/08/1356062908.db2.gz GIHAUBXPCNGEKV-HMECNJMJSA-N 1 3 344.503 2.274 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)NC/C=C\CNCc2cccnc2C)C1 ZINC001668995023 1356062914 /nfs/dbraw/zinc/06/29/14/1356062914.db2.gz GIHAUBXPCNGEKV-HMECNJMJSA-N 1 3 344.503 2.274 10 0 EEAEHO C[C@@H](NC/C=C/CNC(=O)CC[NH+](C)C)c1ccc(F)c(F)c1 ZINC001669020896 1356069903 /nfs/dbraw/zinc/06/99/03/1356069903.db2.gz LGOAFLQUORHFIJ-MUBLQREKSA-N 1 3 325.403 2.240 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](CNCCF)C2CCCC2)C1 ZINC001671548471 1356360577 /nfs/dbraw/zinc/36/05/77/1356360577.db2.gz MFYKCTITQFDCJR-SJORKVTESA-N 1 3 327.488 2.343 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](CNCCF)C2CCCC2)C1 ZINC001671548471 1356360581 /nfs/dbraw/zinc/36/05/81/1356360581.db2.gz MFYKCTITQFDCJR-SJORKVTESA-N 1 3 327.488 2.343 10 0 EEAEHO CCOCCN(C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001674500005 1356848815 /nfs/dbraw/zinc/84/88/15/1356848815.db2.gz ULASZHUGDYJNAT-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001698858867 1405114681 /nfs/dbraw/zinc/11/46/81/1405114681.db2.gz WFDFPJJXQUCVTD-JSGCOSHPSA-N 1 3 326.872 2.012 10 0 EEAEHO COCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001698899132 1405139286 /nfs/dbraw/zinc/13/92/86/1405139286.db2.gz SWXXKEZJZJSNEO-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@@H]2CNCCF)CC1 ZINC001698948901 1405178634 /nfs/dbraw/zinc/17/86/34/1405178634.db2.gz XEUPKZPRSBTXSP-WBVHZDCISA-N 1 3 327.488 2.293 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](c1ccccn1)C1CC1 ZINC000923201617 789122591 /nfs/dbraw/zinc/12/25/91/789122591.db2.gz PPECQXPHQGEPPT-MAUKXSAKSA-N 1 3 347.507 2.104 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](c1ccccn1)C1CC1 ZINC000923201617 789122599 /nfs/dbraw/zinc/12/25/99/789122599.db2.gz PPECQXPHQGEPPT-MAUKXSAKSA-N 1 3 347.507 2.104 10 0 EEAEHO COc1cc(CN(C)C[C@@H]2CC3(C[NH2+]C3)CO2)ccc1OC(F)F ZINC000923296751 789328980 /nfs/dbraw/zinc/32/89/80/789328980.db2.gz BWFXGABSIJTFBN-ZDUSSCGKSA-N 1 3 342.386 2.107 10 0 EEAEHO C[C@@H]1CN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC[C@H]1C[NH3+] ZINC000923511142 789697743 /nfs/dbraw/zinc/69/77/43/789697743.db2.gz ZPIILDSLYSICLC-XLIONFOSSA-N 1 3 343.515 2.384 10 0 EEAEHO CCN1CCO[C@H](CN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716680758 796442109 /nfs/dbraw/zinc/44/21/09/796442109.db2.gz UJUWANVDZSRKFL-XSDIEEQYSA-N 1 3 343.515 2.350 10 0 EEAEHO CCN1CCO[C@H](CN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716680758 796442113 /nfs/dbraw/zinc/44/21/13/796442113.db2.gz UJUWANVDZSRKFL-XSDIEEQYSA-N 1 3 343.515 2.350 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ccccc3C2)C1)N(C)C ZINC001436977048 1088672933 /nfs/dbraw/zinc/67/29/33/1088672933.db2.gz QZIXXJRBKFEZCD-QLIIJSOBSA-N 1 3 343.515 2.369 10 0 EEAEHO Cc1nsc(C)c1CN[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001437259138 1089398725 /nfs/dbraw/zinc/39/87/25/1089398725.db2.gz FDGSTPRHIQFSRX-CYBMUJFWSA-N 1 3 338.521 2.230 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001437263592 1089410006 /nfs/dbraw/zinc/41/00/06/1089410006.db2.gz SKAJVADXHYTKBD-CXAGYDPISA-N 1 3 339.430 2.434 10 0 EEAEHO COc1cccc(CN(C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c1C ZINC001437497788 1089878007 /nfs/dbraw/zinc/87/80/07/1089878007.db2.gz IYLSUFBQUUBSTP-UHFFFAOYSA-N 1 3 347.503 2.426 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCC[C@H]2CC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC001437936722 1090529822 /nfs/dbraw/zinc/52/98/22/1090529822.db2.gz FDNHCRUGVAUOCL-IRXDYDNUSA-N 1 3 347.478 2.496 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCC[C@H]2CC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC001437936722 1090529825 /nfs/dbraw/zinc/52/98/25/1090529825.db2.gz FDNHCRUGVAUOCL-IRXDYDNUSA-N 1 3 347.478 2.496 10 0 EEAEHO CC(C)(C(=O)NCC1C[NH+](CC2CC3(CCC3)C2)C1)N1CCCC1 ZINC001438132933 1090657588 /nfs/dbraw/zinc/65/75/88/1090657588.db2.gz KOVQLRGALNKHBO-UHFFFAOYSA-N 1 3 333.520 2.489 10 0 EEAEHO CC(C)OCCN1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001438234170 1090714176 /nfs/dbraw/zinc/71/41/76/1090714176.db2.gz URYFJWBDACPJQG-ZWKOTPCHSA-N 1 3 339.524 2.207 10 0 EEAEHO CC(C)OCCN1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001438234170 1090714179 /nfs/dbraw/zinc/71/41/79/1090714179.db2.gz URYFJWBDACPJQG-ZWKOTPCHSA-N 1 3 339.524 2.207 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)NCc1ccns1 ZINC001438344304 1090822023 /nfs/dbraw/zinc/82/20/23/1090822023.db2.gz PCLKJOVIKBJTNO-CABCVRRESA-N 1 3 338.521 2.392 10 0 EEAEHO Cc1ccc(F)c(CNC[C@H](C)N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001438650350 1091135293 /nfs/dbraw/zinc/13/52/93/1091135293.db2.gz ZSBWLUGICUQCCZ-YJBOKZPZSA-N 1 3 347.478 2.412 10 0 EEAEHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H](CNCc1cncc(F)c1)C1CC1 ZINC001445954485 1091899439 /nfs/dbraw/zinc/89/94/39/1091899439.db2.gz CFSNYZSGFPYDQD-ZWKOTPCHSA-N 1 3 348.466 2.080 10 0 EEAEHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@H](CNCc1cncc(F)c1)C1CC1 ZINC001445954485 1091899445 /nfs/dbraw/zinc/89/94/45/1091899445.db2.gz CFSNYZSGFPYDQD-ZWKOTPCHSA-N 1 3 348.466 2.080 10 0 EEAEHO Cc1ccc(CNC2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)cc1F ZINC001439603224 1092505357 /nfs/dbraw/zinc/50/53/57/1092505357.db2.gz FJHXVVRFAZSPPJ-KRWDZBQOSA-N 1 3 345.462 2.214 10 0 EEAEHO CC[C@H](F)CN1CCC(C)(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001439922901 1093000358 /nfs/dbraw/zinc/00/03/58/1093000358.db2.gz JWFQDLKTFVCORV-INIZCTEOSA-N 1 3 327.488 2.295 10 0 EEAEHO Cc1cccnc1CN1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001440185800 1093245738 /nfs/dbraw/zinc/24/57/38/1093245738.db2.gz FHMFRFHYHLZXQE-MOPGFXCFSA-N 1 3 344.503 2.297 10 0 EEAEHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnc(C)s2)C1)N(C)C ZINC001440413718 1093607734 /nfs/dbraw/zinc/60/77/34/1093607734.db2.gz RYKYMXQHDXECEH-SQWLQELKSA-N 1 3 338.521 2.166 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCc1cncs1 ZINC001448698355 1093761770 /nfs/dbraw/zinc/76/17/70/1093761770.db2.gz MUAVTQOUKUJNIQ-GDBMZVCRSA-N 1 3 338.521 2.200 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCc1cncs1 ZINC001448698355 1093761773 /nfs/dbraw/zinc/76/17/73/1093761773.db2.gz MUAVTQOUKUJNIQ-GDBMZVCRSA-N 1 3 338.521 2.200 10 0 EEAEHO C[C@@H](CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCC1CC1 ZINC001448733087 1093804622 /nfs/dbraw/zinc/80/46/22/1093804622.db2.gz ZRWYJJJSBYXEOL-KSSFIOAISA-N 1 3 327.488 2.436 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1N(Cc1ccc(F)cc1)CC2 ZINC001449005212 1094003401 /nfs/dbraw/zinc/00/34/01/1094003401.db2.gz DWWGQRBPTDHBQY-HKUYNNGSSA-N 1 3 333.451 2.391 10 0 EEAEHO Cc1cccnc1CN1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001449019339 1094022350 /nfs/dbraw/zinc/02/23/50/1094022350.db2.gz WNVYZAOANWNWNF-UYAOXDASSA-N 1 3 344.503 2.345 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@H]1CC[C@@H](CNCc2c(F)cccc2F)C1 ZINC001449051553 1094065103 /nfs/dbraw/zinc/06/51/03/1094065103.db2.gz HDSUGGHDKLRACG-KGLIPLIRSA-N 1 3 339.430 2.291 10 0 EEAEHO Cc1ccncc1C[N@H+]1CCC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001441577817 1095371545 /nfs/dbraw/zinc/37/15/45/1095371545.db2.gz GQDBDLKXSMYIRF-FUHWJXTLSA-N 1 3 344.503 2.060 10 0 EEAEHO Cc1ccncc1C[N@@H+]1CCC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001441577817 1095371558 /nfs/dbraw/zinc/37/15/58/1095371558.db2.gz GQDBDLKXSMYIRF-FUHWJXTLSA-N 1 3 344.503 2.060 10 0 EEAEHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001441594863 1095433148 /nfs/dbraw/zinc/43/31/48/1095433148.db2.gz CYVFMEMBOBHJJO-CHWSQXEVSA-N 1 3 328.407 2.214 10 0 EEAEHO Cc1nsc(C)c1CN[C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001441598680 1095441810 /nfs/dbraw/zinc/44/18/10/1095441810.db2.gz TXTPNPOPYZGLDQ-GFCCVEGCSA-N 1 3 338.521 2.038 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC001441687971 1095671597 /nfs/dbraw/zinc/67/15/97/1095671597.db2.gz UKYUZQQOYQLJAH-SJORKVTESA-N 1 3 332.492 2.139 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC001441687971 1095671599 /nfs/dbraw/zinc/67/15/99/1095671599.db2.gz UKYUZQQOYQLJAH-SJORKVTESA-N 1 3 332.492 2.139 10 0 EEAEHO Cc1ncc(CNC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C)s1 ZINC001442170952 1096435446 /nfs/dbraw/zinc/43/54/46/1096435446.db2.gz MNIZYYQLORBMMF-HNNXBMFYSA-N 1 3 340.537 2.414 10 0 EEAEHO Cc1ncc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCCN2C(C)C)cn1 ZINC001442308163 1096623921 /nfs/dbraw/zinc/62/39/21/1096623921.db2.gz SAMWWALFCYZYES-CRAIPNDOSA-N 1 3 347.507 2.032 10 0 EEAEHO C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1ccncc1Cl ZINC001442317104 1096635235 /nfs/dbraw/zinc/63/52/35/1096635235.db2.gz GFZOCXLCYMHTEK-KGLIPLIRSA-N 1 3 338.883 2.061 10 0 EEAEHO C[C@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1ccncc1Cl ZINC001442317104 1096635238 /nfs/dbraw/zinc/63/52/38/1096635238.db2.gz GFZOCXLCYMHTEK-KGLIPLIRSA-N 1 3 338.883 2.061 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001480238351 1099869256 /nfs/dbraw/zinc/86/92/56/1099869256.db2.gz RQKKRPGLXUOGDL-KDURUIRLSA-N 1 3 329.488 2.252 10 0 EEAEHO Cc1cc(CNC[C@@H](C)N(C)C(=O)CC[NH+]2CCCCC2)sn1 ZINC001496237184 1100803944 /nfs/dbraw/zinc/80/39/44/1100803944.db2.gz AUYWPYHXRQGGFL-OAHLLOKOSA-N 1 3 338.521 2.264 10 0 EEAEHO Cc1cccnc1C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001495348710 1101060185 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CCN(CC[NH2+]Cc1ccc(OC)cc1)C(=O)CN1CCC(C)CC1 ZINC001497471307 1102540967 /nfs/dbraw/zinc/54/09/67/1102540967.db2.gz KNJXHKNEIRBZRG-UHFFFAOYSA-N 1 3 347.503 2.365 10 0 EEAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C\CNCc1ccc(F)cc1 ZINC001497602379 1102732365 /nfs/dbraw/zinc/73/23/65/1102732365.db2.gz XLCBQMSCNCXGQF-KVLZDYKBSA-N 1 3 333.451 2.462 10 0 EEAEHO C[N@H+]1CCC[C@H]1CCC(=O)NC/C=C\CNCc1ccc(F)cc1 ZINC001497602379 1102732375 /nfs/dbraw/zinc/73/23/75/1102732375.db2.gz XLCBQMSCNCXGQF-KVLZDYKBSA-N 1 3 333.451 2.462 10 0 EEAEHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCc1cc(Cl)ccc1F ZINC001447534134 1102799882 /nfs/dbraw/zinc/79/98/82/1102799882.db2.gz BOZLSHZSBNVAFM-BLLLJJGKSA-N 1 3 341.858 2.367 10 0 EEAEHO C[C@H](CC[NH+](C)C)C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC001447614852 1102975200 /nfs/dbraw/zinc/97/52/00/1102975200.db2.gz LQCIAWGLCWBBGK-OAHLLOKOSA-N 1 3 347.503 2.342 10 0 EEAEHO COCCN(C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001447765783 1103263420 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3 347.503 2.070 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CCCCCF)C2)C1 ZINC001480735789 1107008598 /nfs/dbraw/zinc/00/85/98/1107008598.db2.gz JXBKTOPRVSFYJM-DLBZAZTESA-N 1 3 327.488 2.391 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CCCCCF)C2)C1 ZINC001480735789 1107008609 /nfs/dbraw/zinc/00/86/09/1107008609.db2.gz JXBKTOPRVSFYJM-DLBZAZTESA-N 1 3 327.488 2.391 10 0 EEAEHO Cc1cccc(OCC[N@@H+](C)C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)c1 ZINC001498380566 1107424620 /nfs/dbraw/zinc/42/46/20/1107424620.db2.gz INNNRWIOXXNHPH-MSOLQXFVSA-N 1 3 347.503 2.152 10 0 EEAEHO Cc1cccc(OCC[N@H+](C)C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)c1 ZINC001498380566 1107424622 /nfs/dbraw/zinc/42/46/22/1107424622.db2.gz INNNRWIOXXNHPH-MSOLQXFVSA-N 1 3 347.503 2.152 10 0 EEAEHO COCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001493139449 1107580642 /nfs/dbraw/zinc/58/06/42/1107580642.db2.gz GRGWBQGIOODVFQ-MSOLQXFVSA-N 1 3 339.524 2.258 10 0 EEAEHO COCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001493139449 1107580655 /nfs/dbraw/zinc/58/06/55/1107580655.db2.gz GRGWBQGIOODVFQ-MSOLQXFVSA-N 1 3 339.524 2.258 10 0 EEAEHO CC(C)(C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CC1)N1CCCCC1 ZINC001498760634 1108043433 /nfs/dbraw/zinc/04/34/33/1108043433.db2.gz ORWBBDKNUPLUMI-PPYMECGQSA-N 1 3 327.900 2.488 10 0 EEAEHO Cc1nc(C(C)C)ccc1CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001493551184 1108301202 /nfs/dbraw/zinc/30/12/02/1108301202.db2.gz NHOSMCOMTWMLNW-SJLPKXTDSA-N 1 3 346.519 2.402 10 0 EEAEHO Cc1nc(C(C)C)ccc1CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001493551184 1108301216 /nfs/dbraw/zinc/30/12/16/1108301216.db2.gz NHOSMCOMTWMLNW-SJLPKXTDSA-N 1 3 346.519 2.402 10 0 EEAEHO Cc1ccc(F)c(CN[C@H]2C[C@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001479407897 1110692660 /nfs/dbraw/zinc/69/26/60/1110692660.db2.gz HIWJGQOYRVQAIL-JFIYKMOQSA-N 1 3 347.478 2.460 10 0 EEAEHO Cc1ccc(F)c(CN[C@H]2C[C@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001479407897 1110692662 /nfs/dbraw/zinc/69/26/62/1110692662.db2.gz HIWJGQOYRVQAIL-JFIYKMOQSA-N 1 3 347.478 2.460 10 0 EEAEHO CC[C@H](F)CN1CCC2(CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001499584500 1112389153 /nfs/dbraw/zinc/38/91/53/1112389153.db2.gz DRWIXURYMZJGPG-INIZCTEOSA-N 1 3 327.488 2.391 10 0 EEAEHO CC[C@H](F)CN1CCC2(CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001499584500 1112389158 /nfs/dbraw/zinc/38/91/58/1112389158.db2.gz DRWIXURYMZJGPG-INIZCTEOSA-N 1 3 327.488 2.391 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@H+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001502147308 1113616086 /nfs/dbraw/zinc/61/60/86/1113616086.db2.gz GUAMYUGQGBJSIS-IAGOWNOFSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001502147308 1113616087 /nfs/dbraw/zinc/61/60/87/1113616087.db2.gz GUAMYUGQGBJSIS-IAGOWNOFSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC001502811159 1113808386 /nfs/dbraw/zinc/80/83/86/1113808386.db2.gz NUFQNDXUNTWYON-INIZCTEOSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CCCc1ccsc1 ZINC001506001437 1114333492 /nfs/dbraw/zinc/33/34/92/1114333492.db2.gz ASIKNQVQHASXJC-CVEARBPZSA-N 1 3 337.533 2.459 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CCCc1ccsc1 ZINC001506001437 1114333496 /nfs/dbraw/zinc/33/34/96/1114333496.db2.gz ASIKNQVQHASXJC-CVEARBPZSA-N 1 3 337.533 2.459 10 0 EEAEHO CN(Cc1nc2ccccc2o1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001506959713 1115007548 /nfs/dbraw/zinc/00/75/48/1115007548.db2.gz APQJQEMSIHXOFR-UHFFFAOYSA-N 1 3 344.459 2.202 10 0 EEAEHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NCc1ccc(Cl)c(F)c1 ZINC001507117102 1115117163 /nfs/dbraw/zinc/11/71/63/1115117163.db2.gz GORLGOZRSBVMJJ-GFCCVEGCSA-N 1 3 329.847 2.367 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC001507161805 1115141870 /nfs/dbraw/zinc/14/18/70/1115141870.db2.gz MUHWFGKOSCCKHR-AWEZNQCLSA-N 1 3 341.446 2.284 10 0 EEAEHO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)C(C)C ZINC001507730169 1115335730 /nfs/dbraw/zinc/33/57/30/1115335730.db2.gz STQFTHGXOFFGHD-QZTJIDSGSA-N 1 3 349.519 2.147 10 0 EEAEHO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)C(C)C ZINC001507730169 1115335731 /nfs/dbraw/zinc/33/57/31/1115335731.db2.gz STQFTHGXOFFGHD-QZTJIDSGSA-N 1 3 349.519 2.147 10 0 EEAEHO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C)n2CCN2CC=CCC2)C1 ZINC001514617735 1118807976 /nfs/dbraw/zinc/80/79/76/1118807976.db2.gz QBEYHYBQDBHUDF-GOSISDBHSA-N 1 3 346.523 2.017 10 0 EEAEHO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C)n2CCN2CC=CCC2)C1 ZINC001514617735 1118807979 /nfs/dbraw/zinc/80/79/79/1118807979.db2.gz QBEYHYBQDBHUDF-GOSISDBHSA-N 1 3 346.523 2.017 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cnc(C)o1 ZINC001568397957 1124468669 /nfs/dbraw/zinc/46/86/69/1124468669.db2.gz LOVBBYKSDTVIMO-INIZCTEOSA-N 1 3 336.480 2.186 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCNCc2nc(C)cs2)CC[N@@H+]1C ZINC001568633367 1124647597 /nfs/dbraw/zinc/64/75/97/1124647597.db2.gz DGTRLKQFZIVTQO-VHDGCEQUSA-N 1 3 338.521 2.166 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCNCc2nc(C)cs2)CC[N@H+]1C ZINC001568633367 1124647599 /nfs/dbraw/zinc/64/75/99/1124647599.db2.gz DGTRLKQFZIVTQO-VHDGCEQUSA-N 1 3 338.521 2.166 10 0 EEAEHO CCN(CC[NH2+]Cc1ccc(Cl)nc1)C(=O)C1(N(C)C)CCC1 ZINC001568746791 1124760497 /nfs/dbraw/zinc/76/04/97/1124760497.db2.gz CWMWPFNWTJNTCR-UHFFFAOYSA-N 1 3 338.883 2.157 10 0 EEAEHO CN(CCC[NH2+][C@H]1CCc2c1cccc2F)C(=O)[C@@H]1CCCN1C ZINC001569188478 1125153489 /nfs/dbraw/zinc/15/34/89/1125153489.db2.gz IWWXLWWHOSHIGG-ROUUACIJSA-N 1 3 333.451 2.345 10 0 EEAEHO CN(C)CCC[NH2+]CCN(C)Cc1ccc(Br)cc1 ZINC000053447051 214183720 /nfs/dbraw/zinc/18/37/20/214183720.db2.gz UXMBLOVODNGCAL-UHFFFAOYSA-N 1 3 328.298 2.422 10 0 EEAEHO CN(CCNCCC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000053447051 214183722 /nfs/dbraw/zinc/18/37/22/214183722.db2.gz UXMBLOVODNGCAL-UHFFFAOYSA-N 1 3 328.298 2.422 10 0 EEAEHO CCN1CCN(CC[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000053937267 214206092 /nfs/dbraw/zinc/20/60/92/214206092.db2.gz CEOLVFOJROVIAW-OAHLLOKOSA-N 1 3 326.282 2.477 10 0 EEAEHO COC[C@@H](CCC[NH3+])NCc1cc2c(c(Br)c1)OCO2 ZINC000422973859 536596494 /nfs/dbraw/zinc/59/64/94/536596494.db2.gz PSZCDJLUHJHWAW-LLVKDONJSA-N 1 3 345.237 2.021 10 0 EEAEHO CCOC(=O)C1([C@@H](C)N[C@H](CO)c2sccc2C)CC[NH2+]CC1 ZINC000422988954 240318634 /nfs/dbraw/zinc/31/86/34/240318634.db2.gz JZVYBZGPEVJJFZ-ZIAGYGMSSA-N 1 3 340.489 2.001 10 0 EEAEHO CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000425370351 241140327 /nfs/dbraw/zinc/14/03/27/241140327.db2.gz NYONCKPEFAJHIQ-QZTJIDSGSA-N 1 3 347.528 2.368 10 0 EEAEHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000247367559 284343882 /nfs/dbraw/zinc/34/38/82/284343882.db2.gz RJCYBYWVJMFKRC-RBUKOAKNSA-N 1 3 346.519 2.143 10 0 EEAEHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000247367559 284343887 /nfs/dbraw/zinc/34/38/87/284343887.db2.gz RJCYBYWVJMFKRC-RBUKOAKNSA-N 1 3 346.519 2.143 10 0 EEAEHO CC(C)[C@H](N)C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000095087957 218278583 /nfs/dbraw/zinc/27/85/83/218278583.db2.gz LRUQBKTUXDPGBH-SFHVURJKSA-N 1 3 329.488 2.484 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC[C@H](F)C1 ZINC000424631761 285246595 /nfs/dbraw/zinc/24/65/95/285246595.db2.gz AXSKVYMDXZWALY-IXDOHACOSA-N 1 3 327.488 2.389 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC[C@H](F)C1 ZINC000424631761 285246598 /nfs/dbraw/zinc/24/65/98/285246598.db2.gz AXSKVYMDXZWALY-IXDOHACOSA-N 1 3 327.488 2.389 10 0 EEAEHO CC(C)N1CCN(C2CC[NH+](C[C@@](C)(O)c3ccccc3)CC2)CC1 ZINC000270860594 256180904 /nfs/dbraw/zinc/18/09/04/256180904.db2.gz IBBVYYBVZGJZCM-OAQYLSRUSA-N 1 3 345.531 2.385 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130187461 292369444 /nfs/dbraw/zinc/36/94/44/292369444.db2.gz JVMHWLKILJXAJQ-UHFFFAOYSA-N 1 3 347.503 2.477 10 0 EEAEHO C[C@H]1CCCN(CCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245935224 160258230 /nfs/dbraw/zinc/25/82/30/160258230.db2.gz SACSHXIXDPFSNF-ZWKOTPCHSA-N 1 3 336.524 2.378 10 0 EEAEHO CC(C)N(C(=O)[C@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1)C(C)C ZINC000247109542 160310588 /nfs/dbraw/zinc/31/05/88/160310588.db2.gz IXYBOABKZNNWFZ-IRXDYDNUSA-N 1 3 341.540 2.045 10 0 EEAEHO C[C@@H](NC(=O)c1ccccc1OCCN(C)C)C(C)(C)C[NH+](C)C ZINC000359796082 164173297 /nfs/dbraw/zinc/17/32/97/164173297.db2.gz LLDLOMBWKTYNJI-OAHLLOKOSA-N 1 3 335.492 2.333 10 0 EEAEHO C[NH+](C)CCc1ccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000364212712 165053428 /nfs/dbraw/zinc/05/34/28/165053428.db2.gz KKBBMNWHLZHPCB-ABSDTBQOSA-N 1 3 345.487 2.262 10 0 EEAEHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CCN2CCC1CC2 ZINC000375213417 167088659 /nfs/dbraw/zinc/08/86/59/167088659.db2.gz ZBUXFDRLAZNEOQ-SFHVURJKSA-N 1 3 334.508 2.273 10 0 EEAEHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CCN2CCC1CC2 ZINC000375213417 167088661 /nfs/dbraw/zinc/08/86/61/167088661.db2.gz ZBUXFDRLAZNEOQ-SFHVURJKSA-N 1 3 334.508 2.273 10 0 EEAEHO C[NH+](C)CC[C@@H](NCCN1C(=O)c2ccccc2C1=O)C(C)(C)C ZINC000278568271 274374755 /nfs/dbraw/zinc/37/47/55/274374755.db2.gz CISAQHYDWWZNJC-MRXNPFEDSA-N 1 3 331.460 2.239 10 0 EEAEHO C[C@H]1[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1Cc1ccccc1 ZINC000291704899 275331954 /nfs/dbraw/zinc/33/19/54/275331954.db2.gz FTYZCGAPJUWNGD-PBWTXFEYSA-N 1 3 329.488 2.496 10 0 EEAEHO C[C@H]1[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1Cc1ccccc1 ZINC000291704899 275331955 /nfs/dbraw/zinc/33/19/55/275331955.db2.gz FTYZCGAPJUWNGD-PBWTXFEYSA-N 1 3 329.488 2.496 10 0 EEAEHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000174449400 276075434 /nfs/dbraw/zinc/07/54/34/276075434.db2.gz JPLQVPJURIWZGC-LJQANCHMSA-N 1 3 342.487 2.294 10 0 EEAEHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000174449400 276075436 /nfs/dbraw/zinc/07/54/36/276075436.db2.gz JPLQVPJURIWZGC-LJQANCHMSA-N 1 3 342.487 2.294 10 0 EEAEHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000171905420 276075621 /nfs/dbraw/zinc/07/56/21/276075621.db2.gz AXSQHCGALYVLAG-GOSISDBHSA-N 1 3 330.476 2.128 10 0 EEAEHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000171905420 276075622 /nfs/dbraw/zinc/07/56/22/276075622.db2.gz AXSQHCGALYVLAG-GOSISDBHSA-N 1 3 330.476 2.128 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@@H]1c1ccccc1 ZINC000416031168 277167797 /nfs/dbraw/zinc/16/77/97/277167797.db2.gz OBGUMWXLPNPPGN-MJBXVCDLSA-N 1 3 344.381 2.011 10 0 EEAEHO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000270593282 279286852 /nfs/dbraw/zinc/28/68/52/279286852.db2.gz YNHDVPCTHUAQIJ-ZWKOTPCHSA-N 1 3 330.476 2.169 10 0 EEAEHO CC[N@H+]1CCCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000270593282 279286853 /nfs/dbraw/zinc/28/68/53/279286853.db2.gz YNHDVPCTHUAQIJ-ZWKOTPCHSA-N 1 3 330.476 2.169 10 0 EEAEHO C[C@H](CCC(F)(F)F)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414181743 312979074 /nfs/dbraw/zinc/97/90/74/312979074.db2.gz CHZYYSZVBFBDCA-CQSZACIVSA-N 1 3 337.430 2.104 10 0 EEAEHO C[N@@H+]1CCC[C@@H](CCNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000416254454 313206504 /nfs/dbraw/zinc/20/65/04/313206504.db2.gz VICBWVAIBZJFBM-KRWDZBQOSA-N 1 3 329.488 2.283 10 0 EEAEHO C[N@H+]1CCC[C@@H](CCNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000416254454 313206506 /nfs/dbraw/zinc/20/65/06/313206506.db2.gz VICBWVAIBZJFBM-KRWDZBQOSA-N 1 3 329.488 2.283 10 0 EEAEHO O=C(NC[C@@H]1CCN1C1CCCC1)NCC1CC[NH+](C2CC2)CC1 ZINC000527879518 317279715 /nfs/dbraw/zinc/27/97/15/317279715.db2.gz IQXPGMDBFFOQHX-SFHVURJKSA-N 1 3 334.508 2.177 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCC[NH+](C)C ZINC000541809271 318109791 /nfs/dbraw/zinc/10/97/91/318109791.db2.gz BARMKSLSERVZHN-PKOBYXMFSA-N 1 3 346.519 2.490 10 0 EEAEHO CC(C)c1ccc(NC(=O)C[C@H](C)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000546572541 318253411 /nfs/dbraw/zinc/25/34/11/318253411.db2.gz IYNYTZZGQAZEMV-HNAYVOBHSA-N 1 3 333.476 2.183 10 0 EEAEHO CC(C)c1ccc(NC(=O)C[C@H](C)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000546572541 318253415 /nfs/dbraw/zinc/25/34/15/318253415.db2.gz IYNYTZZGQAZEMV-HNAYVOBHSA-N 1 3 333.476 2.183 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000563529158 319019604 /nfs/dbraw/zinc/01/96/04/319019604.db2.gz GXASCTUFKYCQGQ-NJAFHUGGSA-N 1 3 330.476 2.121 10 0 EEAEHO C[C@H](CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+])N1CCC(C)CC1 ZINC000567821330 319423279 /nfs/dbraw/zinc/42/32/79/319423279.db2.gz ZBOQKAHRCPDZPF-VQIMIIECSA-N 1 3 344.503 2.375 10 0 EEAEHO C[N@@H+]1CCCC[C@H]1CCC(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000574637010 320043385 /nfs/dbraw/zinc/04/33/85/320043385.db2.gz OZWMAMZZPJCFEL-QILLFSRXSA-N 1 3 333.451 2.343 10 0 EEAEHO C[N@H+]1CCCC[C@H]1CCC(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000574637010 320043388 /nfs/dbraw/zinc/04/33/88/320043388.db2.gz OZWMAMZZPJCFEL-QILLFSRXSA-N 1 3 333.451 2.343 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)N(C)C)cc1 ZINC000574741396 320052395 /nfs/dbraw/zinc/05/23/95/320052395.db2.gz AVRCQQLSNDKQPN-ICSRJNTNSA-N 1 3 344.503 2.383 10 0 EEAEHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CNCc2ccccc21 ZINC000580831264 324137139 /nfs/dbraw/zinc/13/71/39/324137139.db2.gz LGSKGCWBSDODHR-QUCCMNQESA-N 1 3 337.467 2.163 10 0 EEAEHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCN3CCC2CC3)C1 ZINC000341269658 465085031 /nfs/dbraw/zinc/08/50/31/465085031.db2.gz MBPNAKJUAJNYNY-WMZOPIPTSA-N 1 3 342.487 2.312 10 0 EEAEHO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCN3CCC2CC3)C1 ZINC000341269658 465085034 /nfs/dbraw/zinc/08/50/34/465085034.db2.gz MBPNAKJUAJNYNY-WMZOPIPTSA-N 1 3 342.487 2.312 10 0 EEAEHO C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000154997261 462834005 /nfs/dbraw/zinc/83/40/05/462834005.db2.gz YPNMXEKBXZEGBU-QAPCUYQASA-N 1 3 332.492 2.055 10 0 EEAEHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000186571347 464023981 /nfs/dbraw/zinc/02/39/81/464023981.db2.gz YIKVWPJCYCXDIH-MRXNPFEDSA-N 1 3 347.507 2.200 10 0 EEAEHO C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)[N@H+](C)C1CC1 ZINC000179192661 464077931 /nfs/dbraw/zinc/07/79/31/464077931.db2.gz VSUSJOKTINCQAI-ZTFGCOKTSA-N 1 3 330.476 2.214 10 0 EEAEHO C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)[N@@H+](C)C1CC1 ZINC000179192661 464077933 /nfs/dbraw/zinc/07/79/33/464077933.db2.gz VSUSJOKTINCQAI-ZTFGCOKTSA-N 1 3 330.476 2.214 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000339942536 465623014 /nfs/dbraw/zinc/62/30/14/465623014.db2.gz SWNDNBDACGGURO-SFHVURJKSA-N 1 3 336.524 2.378 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000339942536 465623018 /nfs/dbraw/zinc/62/30/18/465623018.db2.gz SWNDNBDACGGURO-SFHVURJKSA-N 1 3 336.524 2.378 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371227949 465655142 /nfs/dbraw/zinc/65/51/42/465655142.db2.gz FMCFVZROMCFXPI-WMZOPIPTSA-N 1 3 345.487 2.231 10 0 EEAEHO C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000353637362 466028557 /nfs/dbraw/zinc/02/85/57/466028557.db2.gz KXZYLTVRDNNCQP-YCPHGPKFSA-N 1 3 338.521 2.380 10 0 EEAEHO C[C@@H]1CCC[N@H+](CCNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000354334280 466482501 /nfs/dbraw/zinc/48/25/01/466482501.db2.gz MGXFIDHBPGQHBB-QGZVFWFLSA-N 1 3 329.488 2.283 10 0 EEAEHO C[C@@H]1CCC[N@@H+](CCNC(=O)CCN2CCc3ccccc3C2)C1 ZINC000354334280 466482507 /nfs/dbraw/zinc/48/25/07/466482507.db2.gz MGXFIDHBPGQHBB-QGZVFWFLSA-N 1 3 329.488 2.283 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417524923 466877028 /nfs/dbraw/zinc/87/70/28/466877028.db2.gz ACXKGRFWLFOJSX-SOLBZPMBSA-N 1 3 336.524 2.280 10 0 EEAEHO C[C@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000417588282 466888037 /nfs/dbraw/zinc/88/80/37/466888037.db2.gz PBWQGZCCLNHGDZ-CRAIPNDOSA-N 1 3 330.476 2.043 10 0 EEAEHO C[C@@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1ccc(OCCN(C)C)cc1 ZINC000424329987 467030862 /nfs/dbraw/zinc/03/08/62/467030862.db2.gz RGKYGNINAHIGJD-HZPDHXFCSA-N 1 3 333.476 2.146 10 0 EEAEHO O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418102110 467045595 /nfs/dbraw/zinc/04/55/95/467045595.db2.gz GYRYWXZVNCZVDX-IEBWSBKVSA-N 1 3 342.487 2.044 10 0 EEAEHO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000418449101 467113158 /nfs/dbraw/zinc/11/31/58/467113158.db2.gz JVFAOICUVSGFCE-GOSISDBHSA-N 1 3 332.492 2.450 10 0 EEAEHO [NH3+]C[C@H](NC(=O)N[C@@H]1CNCCC1(F)F)c1ccc2ccccc2c1 ZINC000418501862 467121113 /nfs/dbraw/zinc/12/11/13/467121113.db2.gz SVMSMXATYKNGEE-JKSUJKDBSA-N 1 3 348.397 2.136 10 0 EEAEHO [NH3+]C[C@H](NC(=O)N[C@H]1CNCCC1(F)F)c1ccc2ccccc2c1 ZINC000418501857 467121333 /nfs/dbraw/zinc/12/13/33/467121333.db2.gz SVMSMXATYKNGEE-HOTGVXAUSA-N 1 3 348.397 2.136 10 0 EEAEHO CCC[C@H](O)CN1CCCC2(CCC[N@H+](C[C@@H](O)CCC)C2)C1 ZINC000451041889 467233111 /nfs/dbraw/zinc/23/31/11/467233111.db2.gz BVHPEKCWFBVWDD-ADUPEVMXSA-N 1 3 326.525 2.486 10 0 EEAEHO CCC[C@H](O)CN1CCCC2(CCC[N@@H+](C[C@@H](O)CCC)C2)C1 ZINC000451041889 467233115 /nfs/dbraw/zinc/23/31/15/467233115.db2.gz BVHPEKCWFBVWDD-ADUPEVMXSA-N 1 3 326.525 2.486 10 0 EEAEHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414297753 467398991 /nfs/dbraw/zinc/39/89/91/467398991.db2.gz GNNNCPYUMZBPQS-XLIONFOSSA-N 1 3 343.515 2.086 10 0 EEAEHO COc1c(C)cc(C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1C ZINC000415134748 467498789 /nfs/dbraw/zinc/49/87/89/467498789.db2.gz WBYKXDUWXMWSJA-QGZVFWFLSA-N 1 3 329.448 2.199 10 0 EEAEHO COc1c(C)cc(C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1C ZINC000415134748 467498792 /nfs/dbraw/zinc/49/87/92/467498792.db2.gz WBYKXDUWXMWSJA-QGZVFWFLSA-N 1 3 329.448 2.199 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@](C)(F)C3)CC2)CC1 ZINC000454447353 467593537 /nfs/dbraw/zinc/59/35/37/467593537.db2.gz FSEMHNDCMZEHOQ-GOSISDBHSA-N 1 3 340.487 2.079 10 0 EEAEHO COCCN1CC[C@@H]([NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449156945 467621094 /nfs/dbraw/zinc/62/10/94/467621094.db2.gz UEMADJGTKHLATE-GHTZIAJQSA-N 1 3 345.531 2.392 10 0 EEAEHO COCCN1CC[C@@H](NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449156945 467621096 /nfs/dbraw/zinc/62/10/96/467621096.db2.gz UEMADJGTKHLATE-GHTZIAJQSA-N 1 3 345.531 2.392 10 0 EEAEHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CCCCN2CCO)CC1 ZINC000449393253 467637229 /nfs/dbraw/zinc/63/72/29/467637229.db2.gz LWHWJUCRGLLLBB-RLLQIKCJSA-N 1 3 337.552 2.466 10 0 EEAEHO c1ccc(C[N@H+]2CCC3(C2)CCN(C[C@H]2COCCO2)CC3)cc1 ZINC000450640895 467884616 /nfs/dbraw/zinc/88/46/16/467884616.db2.gz HIACDBRBSSORKS-IBGZPJMESA-N 1 3 330.472 2.390 10 0 EEAEHO c1ccc(C[N@@H+]2CCC3(C2)CCN(C[C@H]2COCCO2)CC3)cc1 ZINC000450640895 467884619 /nfs/dbraw/zinc/88/46/19/467884619.db2.gz HIACDBRBSSORKS-IBGZPJMESA-N 1 3 330.472 2.390 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000515341937 467986412 /nfs/dbraw/zinc/98/64/12/467986412.db2.gz CGUFYICWJCRHTF-IMFGXOCKSA-N 1 3 344.503 2.338 10 0 EEAEHO Cc1nc2ccc(C[NH2+]CCCN3CCC[C@H](C(N)=O)C3)cc2s1 ZINC000494008233 468017132 /nfs/dbraw/zinc/01/71/32/468017132.db2.gz VOUWARXTQUXGNT-HNNXBMFYSA-N 1 3 346.500 2.282 10 0 EEAEHO COC(=O)c1cccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000600762754 468651603 /nfs/dbraw/zinc/65/16/03/468651603.db2.gz WVEFQEOPWRPTFE-SFHVURJKSA-N 1 3 332.444 2.064 10 0 EEAEHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000594926942 468723619 /nfs/dbraw/zinc/72/36/19/468723619.db2.gz ORRHMCTWQBLATA-GDAAHCPNSA-N 1 3 330.472 2.338 10 0 EEAEHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000594926942 468723623 /nfs/dbraw/zinc/72/36/23/468723623.db2.gz ORRHMCTWQBLATA-GDAAHCPNSA-N 1 3 330.472 2.338 10 0 EEAEHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000594926942 468723627 /nfs/dbraw/zinc/72/36/27/468723627.db2.gz ORRHMCTWQBLATA-GDAAHCPNSA-N 1 3 330.472 2.338 10 0 EEAEHO C[N@H+](CCCCNC(=O)N1CCc2ccccc2[C@H]1CN)C1CC1 ZINC000572480600 468939073 /nfs/dbraw/zinc/93/90/73/468939073.db2.gz WEPYARSFZSHBGP-GOSISDBHSA-N 1 3 330.476 2.129 10 0 EEAEHO C[N@@H+](CCCCNC(=O)N1CCc2ccccc2[C@H]1CN)C1CC1 ZINC000572480600 468939076 /nfs/dbraw/zinc/93/90/76/468939076.db2.gz WEPYARSFZSHBGP-GOSISDBHSA-N 1 3 330.476 2.129 10 0 EEAEHO O=C(NCc1ccccc1CN1CCCCC1)NC[C@H]1CCC[NH2+]C1 ZINC000572856160 469010298 /nfs/dbraw/zinc/01/02/98/469010298.db2.gz AJGMXWZSIPXCSX-KRWDZBQOSA-N 1 3 344.503 2.471 10 0 EEAEHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CCCN(C)C2)c1 ZINC000618552449 469386400 /nfs/dbraw/zinc/38/64/00/469386400.db2.gz ZWNRHVMJFDWANU-SFHVURJKSA-N 1 3 332.492 2.422 10 0 EEAEHO C[C@@]1(NC(=O)NCc2ccccc2CN2CCCCC2)CC[NH2+]C1 ZINC000612863805 469567198 /nfs/dbraw/zinc/56/71/98/469567198.db2.gz YUWZTZUYNODZMA-LJQANCHMSA-N 1 3 330.476 2.224 10 0 EEAEHO CN1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC1(C)C ZINC000623427766 469654333 /nfs/dbraw/zinc/65/43/33/469654333.db2.gz MBCMTEARWLHIBZ-SLFFLAALSA-N 1 3 345.531 2.332 10 0 EEAEHO C[N@@H+]1CC[C@H](N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC1(C)C ZINC000623427766 469654337 /nfs/dbraw/zinc/65/43/37/469654337.db2.gz MBCMTEARWLHIBZ-SLFFLAALSA-N 1 3 345.531 2.332 10 0 EEAEHO C[N@H+]1CC[C@H](N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC1(C)C ZINC000623427766 469654340 /nfs/dbraw/zinc/65/43/40/469654340.db2.gz MBCMTEARWLHIBZ-SLFFLAALSA-N 1 3 345.531 2.332 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CSc1ccc(F)cc1 ZINC000617503284 469700366 /nfs/dbraw/zinc/70/03/66/469700366.db2.gz CQXQANRZAZZGGO-AWEZNQCLSA-N 1 3 341.496 2.306 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CSc1ccc(F)cc1 ZINC000617503284 469700370 /nfs/dbraw/zinc/70/03/70/469700370.db2.gz CQXQANRZAZZGGO-AWEZNQCLSA-N 1 3 341.496 2.306 10 0 EEAEHO C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504559 469704040 /nfs/dbraw/zinc/70/40/40/469704040.db2.gz AEYHNSDDXPBVGK-CVEARBPZSA-N 1 3 337.483 2.393 10 0 EEAEHO C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504559 469704045 /nfs/dbraw/zinc/70/40/45/469704045.db2.gz AEYHNSDDXPBVGK-CVEARBPZSA-N 1 3 337.483 2.393 10 0 EEAEHO C[C@H](CNC(=O)NC[C@@H]1CCN1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000623721010 469744490 /nfs/dbraw/zinc/74/44/90/469744490.db2.gz FCBBCLKLLJDRNF-AEFFLSMTSA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)N(C)Cc1ccccc1 ZINC000626974466 469774094 /nfs/dbraw/zinc/77/40/94/469774094.db2.gz GRQVYINPHZRVCI-NVXWUHKLSA-N 1 3 330.476 2.091 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)C[NH2+]1 ZINC000627195452 469840748 /nfs/dbraw/zinc/84/07/48/469840748.db2.gz KXJVNSFWEGRGAX-RHSMWYFYSA-N 1 3 336.455 2.039 10 0 EEAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627197766 469841861 /nfs/dbraw/zinc/84/18/61/469841861.db2.gz NVGAVQBSNQWKEM-QAPCUYQASA-N 1 3 332.492 2.420 10 0 EEAEHO C/C=C\CN[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000624197597 469872414 /nfs/dbraw/zinc/87/24/14/469872414.db2.gz RFJRKSQUXHYGHP-IYKSTZQJSA-N 1 3 339.505 2.143 10 0 EEAEHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000631824876 470185824 /nfs/dbraw/zinc/18/58/24/470185824.db2.gz STLJOCWPJFJFLG-FHWLQOOXSA-N 1 3 339.487 2.438 10 0 EEAEHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000631824876 470185825 /nfs/dbraw/zinc/18/58/25/470185825.db2.gz STLJOCWPJFJFLG-FHWLQOOXSA-N 1 3 339.487 2.438 10 0 EEAEHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C[C@@H]1CCc2ncnn21 ZINC000631824876 470185826 /nfs/dbraw/zinc/18/58/26/470185826.db2.gz STLJOCWPJFJFLG-FHWLQOOXSA-N 1 3 339.487 2.438 10 0 EEAEHO CN1C[C@H]2[C@@H](CCN2C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000646927400 470779690 /nfs/dbraw/zinc/77/96/90/470779690.db2.gz JYDDWULSJOHVPE-OALUTQOASA-N 1 3 341.499 2.451 10 0 EEAEHO [NH3+]CC1(CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000652131723 471241484 /nfs/dbraw/zinc/24/14/84/471241484.db2.gz KOQFQPRONQSYJL-KRWDZBQOSA-N 1 3 330.476 2.079 10 0 EEAEHO COC[C@H](CC1CCOCC1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000657918187 471248146 /nfs/dbraw/zinc/24/81/46/471248146.db2.gz BAMXOFCVNMNFTK-SCTDSRPQSA-N 1 3 342.524 2.297 10 0 EEAEHO CN(C(=O)NCCC1(C[NH3+])CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000652240309 471260623 /nfs/dbraw/zinc/26/06/23/471260623.db2.gz WQNVBBJGHNDBHI-SFHVURJKSA-N 1 3 344.503 2.421 10 0 EEAEHO Cc1nn(C)cc1[C@@H](C)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139490 471270354 /nfs/dbraw/zinc/27/03/54/471270354.db2.gz MAPLNGKMANSFTJ-KDOFPFPSSA-N 1 3 328.460 2.146 10 0 EEAEHO Cc1nn(C)cc1[C@@H](C)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658139490 471270355 /nfs/dbraw/zinc/27/03/55/471270355.db2.gz MAPLNGKMANSFTJ-KDOFPFPSSA-N 1 3 328.460 2.146 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC000655160127 471275137 /nfs/dbraw/zinc/27/51/37/471275137.db2.gz GAKHCBCHUMHRNM-KZNAEPCWSA-N 1 3 333.520 2.488 10 0 EEAEHO CCC[NH+]1CCC(NC[C@@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC000658343080 471291334 /nfs/dbraw/zinc/29/13/34/471291334.db2.gz IPKSCPYOYVJDMY-OAQYLSRUSA-N 1 3 344.547 2.267 10 0 EEAEHO CCCN1CCC([NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC000658343080 471291336 /nfs/dbraw/zinc/29/13/36/471291336.db2.gz IPKSCPYOYVJDMY-OAQYLSRUSA-N 1 3 344.547 2.267 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000655246146 471291722 /nfs/dbraw/zinc/29/17/22/471291722.db2.gz APUMTPHZAWOKTD-JENIJYKNSA-N 1 3 347.478 2.494 10 0 EEAEHO COc1ccc(F)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000666312277 471352320 /nfs/dbraw/zinc/35/23/20/471352320.db2.gz QCLFUAIMPPXIKH-ZDUSSCGKSA-N 1 3 340.443 2.228 10 0 EEAEHO COc1ccc(F)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000666312277 471352325 /nfs/dbraw/zinc/35/23/25/471352325.db2.gz QCLFUAIMPPXIKH-ZDUSSCGKSA-N 1 3 340.443 2.228 10 0 EEAEHO CN(CC1CN(C)C1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000663449162 471383822 /nfs/dbraw/zinc/38/38/22/471383822.db2.gz BUZOLXHAIAQZOK-OAHLLOKOSA-N 1 3 336.505 2.088 10 0 EEAEHO C[NH2+]CCCC(=O)N1CCC(NCc2cccc(F)c2F)CC1 ZINC000663502824 471402702 /nfs/dbraw/zinc/40/27/02/471402702.db2.gz CAKNGVJVTKSVHW-UHFFFAOYSA-N 1 3 325.403 2.045 10 0 EEAEHO COC1CCN(C2(CNC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)CCCC2)CC1 ZINC000653118278 471497909 /nfs/dbraw/zinc/49/79/09/471497909.db2.gz HMMVHHAJQWNIFQ-ZWKOTPCHSA-N 1 3 349.519 2.057 10 0 EEAEHO O=C(Nc1ccc2c(c1F)CCNC2)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000667831555 471922375 /nfs/dbraw/zinc/92/23/75/471922375.db2.gz ULOHCZLHIXLDRZ-CQSZACIVSA-N 1 3 332.423 2.077 10 0 EEAEHO O=C(Nc1ccc2c(c1F)CCNC2)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000667831555 471922380 /nfs/dbraw/zinc/92/23/80/471922380.db2.gz ULOHCZLHIXLDRZ-CQSZACIVSA-N 1 3 332.423 2.077 10 0 EEAEHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000665274862 471986626 /nfs/dbraw/zinc/98/66/26/471986626.db2.gz ZSMSJJZCONMZJQ-GSEOLPGOSA-N 1 3 343.515 2.178 10 0 EEAEHO C[NH+]1CCC([C@H]2CCN(Cc3ccnn3-c3ccncc3)C2)CC1 ZINC000668169035 472036675 /nfs/dbraw/zinc/03/66/75/472036675.db2.gz GQFABPUMWMCUGB-KRWDZBQOSA-N 1 3 325.460 2.431 10 0 EEAEHO c1cc(CN2CCCC[C@@H]2CN2CCOCC2)c2c(c1)C[NH2+]CC2 ZINC000662263128 472049266 /nfs/dbraw/zinc/04/92/66/472049266.db2.gz ZQMWXDOLBCIGGD-LJQANCHMSA-N 1 3 329.488 2.019 10 0 EEAEHO c1cc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c2c(c1)CNCC2 ZINC000662263128 472049268 /nfs/dbraw/zinc/04/92/68/472049268.db2.gz ZQMWXDOLBCIGGD-LJQANCHMSA-N 1 3 329.488 2.019 10 0 EEAEHO c1cc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c2c(c1)CNCC2 ZINC000662263128 472049272 /nfs/dbraw/zinc/04/92/72/472049272.db2.gz ZQMWXDOLBCIGGD-LJQANCHMSA-N 1 3 329.488 2.019 10 0 EEAEHO OC1(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CCN(Cc2ccccc2)CC1 ZINC000668240560 472055809 /nfs/dbraw/zinc/05/58/09/472055809.db2.gz LVWPIQUUMQMYSC-RBUKOAKNSA-N 1 3 330.472 2.171 10 0 EEAEHO C[C@@H](CC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C1CC[NH2+]CC1 ZINC000662685732 472205297 /nfs/dbraw/zinc/20/52/97/472205297.db2.gz HEUUMLVDVYUMEC-KSSFIOAISA-N 1 3 331.460 2.312 10 0 EEAEHO C[C@H](CC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000662687514 472207608 /nfs/dbraw/zinc/20/76/08/472207608.db2.gz ZHXCVFXWDCSIRQ-KYJSFNMBSA-N 1 3 331.460 2.312 10 0 EEAEHO CCC[NH+]1CCC(N(C)C[C@@H](O)CN(C)Cc2ccccc2)CC1 ZINC000674048094 485623680 /nfs/dbraw/zinc/62/36/80/485623680.db2.gz ZAQHNBBTBRTKHN-FQEVSTJZSA-N 1 3 333.520 2.286 10 0 EEAEHO CC(C)C[C@H](NCc1cc2ccccc2[nH]1)C(=O)NCC[NH+](C)C ZINC000683928538 485689018 /nfs/dbraw/zinc/68/90/18/485689018.db2.gz RPTBPELFUJWWCO-SFHVURJKSA-N 1 3 330.476 2.350 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCC1(F)F ZINC000673206947 486295259 /nfs/dbraw/zinc/29/52/59/486295259.db2.gz HZSBFBOKEIGSQM-HUUCEWRRSA-N 1 3 346.466 2.232 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCC1(F)F ZINC000673206947 486295264 /nfs/dbraw/zinc/29/52/64/486295264.db2.gz HZSBFBOKEIGSQM-HUUCEWRRSA-N 1 3 346.466 2.232 10 0 EEAEHO CCN1CCC[C@@H]1CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000363367785 521635097 /nfs/dbraw/zinc/63/50/97/521635097.db2.gz KGPMUMZJPAMCCU-QGZVFWFLSA-N 1 3 330.476 2.207 10 0 EEAEHO COc1ccccc1N1CCC([NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)CC1 ZINC000422841916 537062372 /nfs/dbraw/zinc/06/23/72/537062372.db2.gz XFBDJBAURMHPGE-USXIJHARSA-N 1 3 333.476 2.006 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCn1ccccc1=O ZINC000397959700 576122517 /nfs/dbraw/zinc/12/25/17/576122517.db2.gz DFOKGLCWBUMVPY-MJGOQNOKSA-N 1 3 325.456 2.349 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCn1ccccc1=O ZINC000397959700 576122522 /nfs/dbraw/zinc/12/25/22/576122522.db2.gz DFOKGLCWBUMVPY-MJGOQNOKSA-N 1 3 325.456 2.349 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCN1C ZINC000925322465 692044360 /nfs/dbraw/zinc/04/43/60/692044360.db2.gz PPANSVJGADSUOW-SQNIBIBYSA-N 1 3 336.524 2.233 10 0 EEAEHO C[C@H]1COC[C@H](C)C1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000924724557 693283313 /nfs/dbraw/zinc/28/33/13/693283313.db2.gz ZQDWDUBBYABOBW-IRXDYDNUSA-N 1 3 331.504 2.195 10 0 EEAEHO COCc1ccc(CN2C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)cc1 ZINC001485576337 1191853435 /nfs/dbraw/zinc/85/34/35/1191853435.db2.gz CUIVBOWBPXCRBI-GOSISDBHSA-N 1 3 347.503 2.111 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001485702978 1191905944 /nfs/dbraw/zinc/90/59/44/1191905944.db2.gz LKPIVJFHEXWWJG-GUDVDZBRSA-N 1 3 331.504 2.300 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cc(C)ncn1 ZINC001485750837 1191931820 /nfs/dbraw/zinc/93/18/20/1191931820.db2.gz CBMJIXHFAMIVNS-CRAIPNDOSA-N 1 3 347.507 2.034 10 0 EEAEHO CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@@H](CNCc1ccccn1)C1CC1 ZINC001485813838 1191978091 /nfs/dbraw/zinc/97/80/91/1191978091.db2.gz OHEFPSBZAUNJKD-OALUTQOASA-N 1 3 344.503 2.283 10 0 EEAEHO CN(C(=O)CC[C@@H]1CCC[N@H+]1C)[C@@H](CNCc1ccccn1)C1CC1 ZINC001485813838 1191978093 /nfs/dbraw/zinc/97/80/93/1191978093.db2.gz OHEFPSBZAUNJKD-OALUTQOASA-N 1 3 344.503 2.283 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]Cc1ccc(Cl)nc1)C1CC1 ZINC001670557329 1176903989 /nfs/dbraw/zinc/90/39/89/1176903989.db2.gz SEKVDMXXYSGKPA-HNNXBMFYSA-N 1 3 338.883 2.060 10 0 EEAEHO CC(C)OCCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001266685616 1177197846 /nfs/dbraw/zinc/19/78/46/1177197846.db2.gz JIKWKJBSGNUXSD-CALCHBBNSA-N 1 3 339.524 2.303 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001266878038 1177687211 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EEAEHO Cc1cc(CNCC[C@@H]2CCCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)on1 ZINC001268161460 1181875321 /nfs/dbraw/zinc/87/53/21/1181875321.db2.gz BNQHOBAROQTHTH-IRXDYDNUSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001268290939 1182180320 /nfs/dbraw/zinc/18/03/20/1182180320.db2.gz LAXDYTHFGAOYAE-VXGBXAGGSA-N 1 3 332.370 2.088 10 0 EEAEHO COC[C@H](C)N1CC[C@H](N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001481732382 1182412533 /nfs/dbraw/zinc/41/25/33/1182412533.db2.gz MYSIKOHEGLBKND-RDJZCZTQSA-N 1 3 339.524 2.207 10 0 EEAEHO COC[C@H](C)N1CC[C@H](N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001481732382 1182412539 /nfs/dbraw/zinc/41/25/39/1182412539.db2.gz MYSIKOHEGLBKND-RDJZCZTQSA-N 1 3 339.524 2.207 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]C[C@H]2CCO[C@H](C)C2)CCCC1 ZINC001481912556 1182936017 /nfs/dbraw/zinc/93/60/17/1182936017.db2.gz YETFPUWLVASHOH-ZBFHGGJFSA-N 1 3 348.491 2.094 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCOC2CCC2)CC1)N(C)C ZINC001482027156 1183155827 /nfs/dbraw/zinc/15/58/27/1183155827.db2.gz ZKKFRKCEGNPIQT-BQFCYCMXSA-N 1 3 339.524 2.159 10 0 EEAEHO CC[C@H](F)CNCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001482031705 1183172053 /nfs/dbraw/zinc/17/20/53/1183172053.db2.gz XLCROLCULYEFPL-FHLIZLRMSA-N 1 3 335.467 2.481 10 0 EEAEHO CC[C@H](F)CNCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001482031705 1183172054 /nfs/dbraw/zinc/17/20/54/1183172054.db2.gz XLCROLCULYEFPL-FHLIZLRMSA-N 1 3 335.467 2.481 10 0 EEAEHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]CCc1cccs1)C1CCC1 ZINC001482059036 1183266645 /nfs/dbraw/zinc/26/66/45/1183266645.db2.gz XPGBRXPXIURYHK-MRXNPFEDSA-N 1 3 335.517 2.356 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]Cc1cccc(F)c1F ZINC001482173910 1183502747 /nfs/dbraw/zinc/50/27/47/1183502747.db2.gz SMJMFVTVWAZPON-CYBMUJFWSA-N 1 3 327.419 2.147 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001269071817 1183939506 /nfs/dbraw/zinc/93/95/06/1183939506.db2.gz RLBFPTJGTMGRKF-KGLIPLIRSA-N 1 3 335.414 2.296 10 0 EEAEHO CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2cnc(C)o2)CC1)N(C)C ZINC001269907436 1184711158 /nfs/dbraw/zinc/71/11/58/1184711158.db2.gz DBGAHFFOQQTARP-KRWDZBQOSA-N 1 3 336.480 2.042 10 0 EEAEHO C[C@H](CNCc1ccccc1OC1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482365593 1185524394 /nfs/dbraw/zinc/52/43/94/1185524394.db2.gz WUZREJJIIPOFRA-WBVHZDCISA-N 1 3 345.487 2.116 10 0 EEAEHO C[C@H](CNCc1ccccc1OC1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482365593 1185524399 /nfs/dbraw/zinc/52/43/99/1185524399.db2.gz WUZREJJIIPOFRA-WBVHZDCISA-N 1 3 345.487 2.116 10 0 EEAEHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CCC(F)(F)F ZINC001271629549 1186343597 /nfs/dbraw/zinc/34/35/97/1186343597.db2.gz PEYXAAXIWWJWJJ-OLZOCXBDSA-N 1 3 335.414 2.107 10 0 EEAEHO C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CNCc1cscn1 ZINC001271698728 1186378781 /nfs/dbraw/zinc/37/87/81/1186378781.db2.gz FNIZTUAFTBLJJX-LSDHHAIUSA-N 1 3 338.521 2.059 10 0 EEAEHO CC[C@H](C(=O)N(C)CC[N@H+](C)CC[C@@H]1CC1(Cl)Cl)N(C)C ZINC001482606839 1187362430 /nfs/dbraw/zinc/36/24/30/1187362430.db2.gz WXIXGJDJLDXFMZ-CHWSQXEVSA-N 1 3 338.323 2.301 10 0 EEAEHO CC[C@H](C(=O)N(C)CC[N@@H+](C)CC[C@@H]1CC1(Cl)Cl)N(C)C ZINC001482606839 1187362431 /nfs/dbraw/zinc/36/24/31/1187362431.db2.gz WXIXGJDJLDXFMZ-CHWSQXEVSA-N 1 3 338.323 2.301 10 0 EEAEHO Cc1ncc(CNC[C@H]2CCC[C@H]2NC(=O)CC[NH+]2CCCCC2)o1 ZINC001482699700 1187677179 /nfs/dbraw/zinc/67/71/79/1187677179.db2.gz ZDHFDGOTEMVCIM-SJLPKXTDSA-N 1 3 348.491 2.234 10 0 EEAEHO Cc1ncccc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001482699993 1187678214 /nfs/dbraw/zinc/67/82/14/1187678214.db2.gz XZRLKRFAONPFPW-ZWKOTPCHSA-N 1 3 332.492 2.105 10 0 EEAEHO CCN(CC[NH2+]CC[C@H]1CCOC1)C(=O)[C@@H]1CCCCN1C(C)C ZINC001482955476 1187882001 /nfs/dbraw/zinc/88/20/01/1187882001.db2.gz LDKBUYLLLHOQDT-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001483285966 1190307885 /nfs/dbraw/zinc/30/78/85/1190307885.db2.gz NWVVZAUJDRNOOI-IRXDYDNUSA-N 1 3 331.504 2.228 10 0 EEAEHO CC(C)c1cccc(CN[C@@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)n1 ZINC001486120806 1193687523 /nfs/dbraw/zinc/68/75/23/1193687523.db2.gz FHDKBLNNKAYUCZ-DOTOQJQBSA-N 1 3 332.492 2.236 10 0 EEAEHO Cc1nocc1C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001272598698 1190913143 /nfs/dbraw/zinc/91/31/43/1190913143.db2.gz JATAZICWDSCYJH-QGZVFWFLSA-N 1 3 348.491 2.043 10 0 EEAEHO CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]CC2CC(F)(F)C2)C1)N(C)C ZINC001272623792 1190936308 /nfs/dbraw/zinc/93/63/08/1190936308.db2.gz DDKWUPYZFHQTTF-GOEBONIOSA-N 1 3 345.478 2.446 10 0 EEAEHO CCCCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC001483806334 1191052240 /nfs/dbraw/zinc/05/22/40/1191052240.db2.gz WEMNEAWGNKGVOA-ZNXRZULTSA-N 1 3 348.491 2.271 10 0 EEAEHO CC[C@H](c1ccccc1)[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001484252391 1191289544 /nfs/dbraw/zinc/28/95/44/1191289544.db2.gz NDWJZDGEYBVJJW-QUCCMNQESA-N 1 3 347.503 2.031 10 0 EEAEHO CC[C@H](c1ccccc1)[N@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001484252391 1191289546 /nfs/dbraw/zinc/28/95/46/1191289546.db2.gz NDWJZDGEYBVJJW-QUCCMNQESA-N 1 3 347.503 2.031 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCCC(C)C)C1 ZINC001484678293 1191467255 /nfs/dbraw/zinc/46/72/55/1191467255.db2.gz JWSQIEIDYAHZOT-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CCC1([NH2+]Cc2cccnc2)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001484809186 1191532008 /nfs/dbraw/zinc/53/20/08/1191532008.db2.gz CLOQUPYQUZVACM-KRWDZBQOSA-N 1 3 330.476 2.037 10 0 EEAEHO CC1([NH2+]CC[C@H]2CCCCO2)CCN(C(=O)CN2CCCC2)CC1 ZINC001484927852 1191573884 /nfs/dbraw/zinc/57/38/84/1191573884.db2.gz XDSOJAYGWRAFEI-QGZVFWFLSA-N 1 3 337.508 2.012 10 0 EEAEHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)NCc1ccc(F)c(F)c1 ZINC001485185356 1191680619 /nfs/dbraw/zinc/68/06/19/1191680619.db2.gz DGINVOBXCSRPBN-QWHCGFSZSA-N 1 3 339.430 2.289 10 0 EEAEHO Cc1cnc([C@H](C)NCC2(NC(=O)CC[NH+](C)C)CCCCC2)cn1 ZINC001485455064 1191791540 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EEAEHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000870919136 1200952656 /nfs/dbraw/zinc/95/26/56/1200952656.db2.gz SOZQKRGBEFYYOU-HLNWXESRSA-N 1 3 327.472 2.457 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001274430652 1205034452 /nfs/dbraw/zinc/03/44/52/1205034452.db2.gz QPJALBKCIQQCTC-YJZIAQIGSA-N 1 3 342.487 2.169 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001274430652 1205034458 /nfs/dbraw/zinc/03/44/58/1205034458.db2.gz QPJALBKCIQQCTC-YJZIAQIGSA-N 1 3 342.487 2.169 10 0 EEAEHO CC(C)Oc1cccc(CNC/C=C/CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001274577825 1205085632 /nfs/dbraw/zinc/08/56/32/1205085632.db2.gz CRCJLGHDXDKGND-SHCNBLLESA-N 1 3 345.487 2.188 10 0 EEAEHO CC(C)Oc1cccc(CNC/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001274577825 1205085634 /nfs/dbraw/zinc/08/56/34/1205085634.db2.gz CRCJLGHDXDKGND-SHCNBLLESA-N 1 3 345.487 2.188 10 0 EEAEHO O[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)COc1cccc(F)c1 ZINC000925505544 1206120816 /nfs/dbraw/zinc/12/08/16/1206120816.db2.gz SXUIZANOCPJGJJ-QRQLOZEOSA-N 1 3 336.451 2.323 10 0 EEAEHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CCN(C(=O)CCc3ccccc3)C1)[NH2+]2 ZINC000925551058 1206126589 /nfs/dbraw/zinc/12/65/89/1206126589.db2.gz DYULUGLTTRVOHO-DABHTEOTSA-N 1 3 341.499 2.339 10 0 EEAEHO CC(C)C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccn1 ZINC000925853763 1206161270 /nfs/dbraw/zinc/16/12/70/1206161270.db2.gz REOONAWFVAVAII-DOTOQJQBSA-N 1 3 331.460 2.444 10 0 EEAEHO CN1CCN(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)CC1(C)C ZINC000926358494 1206215399 /nfs/dbraw/zinc/21/53/99/1206215399.db2.gz ZRLDGXVBOCUCOQ-PKOBYXMFSA-N 1 3 330.520 2.408 10 0 EEAEHO O[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1)C1(O)CCC1 ZINC000929846699 1206508406 /nfs/dbraw/zinc/50/84/06/1206508406.db2.gz JFINVGICXCOGFK-XUVXKRRUSA-N 1 3 344.499 2.249 10 0 EEAEHO O[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1)C1(O)CCC1 ZINC000929846699 1206508409 /nfs/dbraw/zinc/50/84/09/1206508409.db2.gz JFINVGICXCOGFK-XUVXKRRUSA-N 1 3 344.499 2.249 10 0 EEAEHO CC(=O)N1CC[C@@H](N[C@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902396677 1237523035 /nfs/dbraw/zinc/52/30/35/1237523035.db2.gz GCRDYDFETAOCMF-RHSMWYFYSA-N 1 3 325.403 2.345 10 0 EEAEHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000903431628 1240454279 /nfs/dbraw/zinc/45/42/79/1240454279.db2.gz SLYJEJYBXRHHAY-PBHICJAKSA-N 1 3 333.451 2.009 10 0 EEAEHO COc1ccccc1[C@H]1CCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903897075 1242381014 /nfs/dbraw/zinc/38/10/14/1242381014.db2.gz YUJWHJNXYRFHIO-SJORKVTESA-N 1 3 342.487 2.344 10 0 EEAEHO Cc1csc([C@@H]2CCN(C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)n1 ZINC000903937781 1242586951 /nfs/dbraw/zinc/58/69/51/1242586951.db2.gz RDHFCFIUGQKOJW-HUUCEWRRSA-N 1 3 333.505 2.100 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCOc1ccccc1 ZINC001491453908 1259104487 /nfs/dbraw/zinc/10/44/87/1259104487.db2.gz DWMLRGRJCOLOMV-FUHWJXTLSA-N 1 3 333.476 2.033 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCOC(C)C)CC(C)(C)C1 ZINC001489350681 1290535949 /nfs/dbraw/zinc/53/59/49/1290535949.db2.gz YKBSHGPAZAJRMJ-KRWDZBQOSA-N 1 3 341.540 2.360 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCOC(C)C)CC(C)(C)C1 ZINC001489350681 1290535954 /nfs/dbraw/zinc/53/59/54/1290535954.db2.gz YKBSHGPAZAJRMJ-KRWDZBQOSA-N 1 3 341.540 2.360 10 0 EEAEHO CC(C)COCC[NH+]1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001490409800 1291321604 /nfs/dbraw/zinc/32/16/04/1291321604.db2.gz RLPTZHQWCGQIOM-UHFFFAOYSA-N 1 3 339.524 2.066 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nc(Cl)ccc1Cl ZINC000855345851 1293183379 /nfs/dbraw/zinc/18/33/79/1293183379.db2.gz IZSRUFQDMVDLHZ-NSHDSACASA-N 1 3 347.290 2.390 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nc(Cl)ccc1Cl ZINC000855345851 1293183384 /nfs/dbraw/zinc/18/33/84/1293183384.db2.gz IZSRUFQDMVDLHZ-NSHDSACASA-N 1 3 347.290 2.390 10 0 EEAEHO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C[C@H]3CCC(=O)O3)C2)ccn1 ZINC000856605432 1293580562 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/nfs/dbraw/zinc/72/69/57/1325726957.db2.gz WAOPEXZMBFSFKS-YJBOKZPZSA-N 1 3 345.503 2.062 10 0 EEAEHO COCCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001282462551 1325726959 /nfs/dbraw/zinc/72/69/59/1325726959.db2.gz WAOPEXZMBFSFKS-YJBOKZPZSA-N 1 3 345.503 2.062 10 0 EEAEHO C[C@H](CN(C)C(=O)C(C)(C)N1CCCCC1)[NH2+]CCOC1CCC1 ZINC001283613614 1326162794 /nfs/dbraw/zinc/16/27/94/1326162794.db2.gz YNDXICYDWXTOEA-MRXNPFEDSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1nc(C)c(C[NH2+]C[C@H]2CCN(C(=O)CN(C)C(C)C)C2)s1 ZINC001491859508 1330266568 /nfs/dbraw/zinc/26/65/68/1330266568.db2.gz VVUYFMHXQXYYCL-OAHLLOKOSA-N 1 3 338.521 2.038 10 0 EEAEHO Cc1ncoc1CN[C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492129921 1330982933 /nfs/dbraw/zinc/98/29/33/1330982933.db2.gz UZBOONXQTWDNPL-RHSMWYFYSA-N 1 3 336.480 2.088 10 0 EEAEHO CC(C)COCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC001316807005 1331903719 /nfs/dbraw/zinc/90/37/19/1331903719.db2.gz WEHIJYHPMSACPQ-SFHVURJKSA-N 1 3 339.524 2.068 10 0 EEAEHO CC(C)COCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC001316807005 1331903721 /nfs/dbraw/zinc/90/37/21/1331903721.db2.gz WEHIJYHPMSACPQ-SFHVURJKSA-N 1 3 339.524 2.068 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]Cc1ccc(Cl)nc1)C1CC1 ZINC001317034330 1332052057 /nfs/dbraw/zinc/05/20/57/1332052057.db2.gz NDQANXKSTCUVFK-OAHLLOKOSA-N 1 3 338.883 2.060 10 0 EEAEHO CN(C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CC[C@@H]2CCCO2)CCC1 ZINC001317191042 1332123291 /nfs/dbraw/zinc/12/32/91/1332123291.db2.gz WJYGJZWOSQLVPG-IRXDYDNUSA-N 1 3 337.508 2.011 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCOc1ccc(C)cc1 ZINC001317664626 1332358983 /nfs/dbraw/zinc/35/89/83/1332358983.db2.gz LPABTFGSMGLJJN-LJQANCHMSA-N 1 3 347.503 2.296 10 0 EEAEHO Cc1nsc(C)c1CNCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001317670869 1332362510 /nfs/dbraw/zinc/36/25/10/1332362510.db2.gz YCBRFZDLFUVOMM-CHWSQXEVSA-N 1 3 338.521 2.181 10 0 EEAEHO COCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001319710318 1332747886 /nfs/dbraw/zinc/74/78/86/1332747886.db2.gz LVEFVYGKYGVOBS-QFBILLFUSA-N 1 3 347.503 2.225 10 0 EEAEHO Cc1nc(C)c(CNCC[C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)o1 ZINC001320451589 1332887181 /nfs/dbraw/zinc/88/71/81/1332887181.db2.gz YDGXFJLHZNOYHR-XJKSGUPXSA-N 1 3 336.480 2.150 10 0 EEAEHO Cc1nc(C)c(CNCC[C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)o1 ZINC001320451589 1332887185 /nfs/dbraw/zinc/88/71/85/1332887185.db2.gz YDGXFJLHZNOYHR-XJKSGUPXSA-N 1 3 336.480 2.150 10 0 EEAEHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC/C=C\CNCc2cccnc2)C1 ZINC001321248277 1333054360 /nfs/dbraw/zinc/05/43/60/1333054360.db2.gz AIMYDFMOUGRWFZ-PHWHVTFISA-N 1 3 348.466 2.056 10 0 EEAEHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC/C=C\CNCc2cccnc2)C1 ZINC001321248277 1333054365 /nfs/dbraw/zinc/05/43/65/1333054365.db2.gz AIMYDFMOUGRWFZ-PHWHVTFISA-N 1 3 348.466 2.056 10 0 EEAEHO Cc1ncccc1CNC/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001321282178 1333063763 /nfs/dbraw/zinc/06/37/63/1333063763.db2.gz VQTWCAHKFJHAAF-ZMBJWTFHSA-N 1 3 344.503 2.415 10 0 EEAEHO Cc1ncccc1CNC/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001321282178 1333063768 /nfs/dbraw/zinc/06/37/68/1333063768.db2.gz VQTWCAHKFJHAAF-ZMBJWTFHSA-N 1 3 344.503 2.415 10 0 EEAEHO Cc1noc(C)c1CNCCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001322566380 1333284335 /nfs/dbraw/zinc/28/43/35/1333284335.db2.gz MBPVPOQMOJENKI-AEFFLSMTSA-N 1 3 348.491 2.246 10 0 EEAEHO Cc1noc(C)c1CNCCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001322566380 1333284337 /nfs/dbraw/zinc/28/43/37/1333284337.db2.gz MBPVPOQMOJENKI-AEFFLSMTSA-N 1 3 348.491 2.246 10 0 EEAEHO CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)C1 ZINC001326816216 1334163820 /nfs/dbraw/zinc/16/38/20/1334163820.db2.gz FWBYRIDYGHNGAM-DZGCQCFKSA-N 1 3 338.883 2.281 10 0 EEAEHO CC[N@H+]1CCC[C@@H](CNC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)C1 ZINC001326816216 1334163823 /nfs/dbraw/zinc/16/38/23/1334163823.db2.gz FWBYRIDYGHNGAM-DZGCQCFKSA-N 1 3 338.883 2.281 10 0 EEAEHO Cc1nocc1CNCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001330898638 1334923515 /nfs/dbraw/zinc/92/35/15/1334923515.db2.gz INGBJMFCQPQVKK-DZKIICNBSA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1nocc1CNCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001330898638 1334923516 /nfs/dbraw/zinc/92/35/16/1334923516.db2.gz INGBJMFCQPQVKK-DZKIICNBSA-N 1 3 336.480 2.088 10 0 EEAEHO CCCCOCC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001332387922 1335815749 /nfs/dbraw/zinc/81/57/49/1335815749.db2.gz NEKXCBLVLDNIGS-INIZCTEOSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@@H+]2CCCc2ccccc2)C1 ZINC001436322244 1342026695 /nfs/dbraw/zinc/02/66/95/1342026695.db2.gz NDDWBOZXNPOFLF-QUCCMNQESA-N 1 3 343.515 2.494 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@H+]2CCCc2ccccc2)C1 ZINC001436322244 1342026697 /nfs/dbraw/zinc/02/66/97/1342026697.db2.gz NDDWBOZXNPOFLF-QUCCMNQESA-N 1 3 343.515 2.494 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1N(Cc1cccc(F)c1)CC2 ZINC001449016051 1342084863 /nfs/dbraw/zinc/08/48/63/1342084863.db2.gz QVCQADMQMYOKLY-PKOBYXMFSA-N 1 3 333.451 2.391 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1ccnc(Cl)c1 ZINC001567017189 1342679614 /nfs/dbraw/zinc/67/96/14/1342679614.db2.gz VOYQJOFGQREYQM-UKRRQHHQSA-N 1 3 338.883 2.202 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1ccnc(Cl)c1 ZINC001567017189 1342679618 /nfs/dbraw/zinc/67/96/18/1342679618.db2.gz VOYQJOFGQREYQM-UKRRQHHQSA-N 1 3 338.883 2.202 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001569682993 1342923477 /nfs/dbraw/zinc/92/34/77/1342923477.db2.gz AKNXFKNVLAHDNR-AZUAARDMSA-N 1 3 331.504 2.398 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001569682994 1342923531 /nfs/dbraw/zinc/92/35/31/1342923531.db2.gz AKNXFKNVLAHDNR-ICSRJNTNSA-N 1 3 331.504 2.398 10 0 EEAEHO CCOCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001569687135 1342924080 /nfs/dbraw/zinc/92/40/80/1342924080.db2.gz ODWCWMXYBPSPCX-HKUYNNGSSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H](NCc1cccc(Cl)n1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001570626546 1343093625 /nfs/dbraw/zinc/09/36/25/1343093625.db2.gz FEXRMIWLUZQQMH-OLZOCXBDSA-N 1 3 326.872 2.060 10 0 EEAEHO CC(C)=CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001571073083 1343161073 /nfs/dbraw/zinc/16/10/73/1343161073.db2.gz MUPPMZRTXQSWLO-QZTJIDSGSA-N 1 3 349.519 2.034 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH2+]CCOCC2CC2)C1 ZINC001656910141 1354298960 /nfs/dbraw/zinc/29/89/60/1354298960.db2.gz VHNJELIMFUYKCR-SFHVURJKSA-N 1 3 339.524 2.114 10 0 EEAEHO CCOCCN1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H]1C ZINC001657043224 1354312023 /nfs/dbraw/zinc/31/20/23/1354312023.db2.gz BKFOKZIMNMUYJU-SQNIBIBYSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)OCCCN1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001661027833 1354576328 /nfs/dbraw/zinc/57/63/28/1354576328.db2.gz CROBYANRQNPMMM-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001661027833 1354576331 /nfs/dbraw/zinc/57/63/31/1354576331.db2.gz CROBYANRQNPMMM-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)OCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001661027833 1354576334 /nfs/dbraw/zinc/57/63/34/1354576334.db2.gz CROBYANRQNPMMM-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO COCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001661554809 1354657353 /nfs/dbraw/zinc/65/73/53/1354657353.db2.gz GKLQRHFWNAYJFA-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO COCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001661554809 1354657357 /nfs/dbraw/zinc/65/73/57/1354657357.db2.gz GKLQRHFWNAYJFA-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCOC1 ZINC001663119994 1354921890 /nfs/dbraw/zinc/92/18/90/1354921890.db2.gz PHTBINKIYRGBQL-DLBZAZTESA-N 1 3 348.491 2.048 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[C@@H]1CCC[N@H+]1C[C@@H]1CCCOC1 ZINC001663119994 1354921891 /nfs/dbraw/zinc/92/18/91/1354921891.db2.gz PHTBINKIYRGBQL-DLBZAZTESA-N 1 3 348.491 2.048 10 0 EEAEHO Cc1nocc1C[NH2+]CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001666218979 1355487419 /nfs/dbraw/zinc/48/74/19/1355487419.db2.gz JEVJRPKLOLXLLU-UHFFFAOYSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncoc1CNCC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001668262809 1355911092 /nfs/dbraw/zinc/91/10/92/1355911092.db2.gz GJRYIEVSKRGLBK-CQSZACIVSA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1nocc1CNCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001668324716 1355923139 /nfs/dbraw/zinc/92/31/39/1355923139.db2.gz CSYBCPVWSWZEQW-YOEHRIQHSA-N 1 3 336.480 2.088 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCOc1ccccc1 ZINC001669559687 1356175876 /nfs/dbraw/zinc/17/58/76/1356175876.db2.gz YWPNXAWEPDQWGX-FUHWJXTLSA-N 1 3 333.476 2.033 10 0 EEAEHO CCc1nocc1CNCCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001670275739 1356310081 /nfs/dbraw/zinc/31/00/81/1356310081.db2.gz QDXMYHXOYXTOBE-AEFFLSMTSA-N 1 3 348.491 2.192 10 0 EEAEHO CCc1nocc1CNCCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001670275739 1356310085 /nfs/dbraw/zinc/31/00/85/1356310085.db2.gz QDXMYHXOYXTOBE-AEFFLSMTSA-N 1 3 348.491 2.192 10 0 EEAEHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCCc1ccccc1 ZINC001672314839 1356499289 /nfs/dbraw/zinc/49/92/89/1356499289.db2.gz DLXRBZVBJLBFOP-FUHWJXTLSA-N 1 3 340.471 2.269 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CCC(C)([NH2+]CCCCCF)CC2)C1 ZINC001673982442 1356767561 /nfs/dbraw/zinc/76/75/61/1356767561.db2.gz YCPQFMOHTRCJTG-INIZCTEOSA-N 1 3 327.488 2.439 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)cc2)CC1 ZINC000846674232 790367327 /nfs/dbraw/zinc/36/73/27/790367327.db2.gz KTUQPCDUAYXNBK-RTBURBONSA-N 1 3 342.487 2.298 10 0 EEAEHO CC(C)(C)NS(=O)(=O)C1(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925806414 777305133 /nfs/dbraw/zinc/30/51/33/777305133.db2.gz POVXAIIAGDIBEC-KGLIPLIRSA-N 1 3 345.553 2.123 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(Cl)n1 ZINC000821764371 786874582 /nfs/dbraw/zinc/87/45/82/786874582.db2.gz WMELVMBORUCXOW-LBPRGKRZSA-N 1 3 327.860 2.129 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(Cl)n1 ZINC000821764371 786874595 /nfs/dbraw/zinc/87/45/95/786874595.db2.gz WMELVMBORUCXOW-LBPRGKRZSA-N 1 3 327.860 2.129 10 0 EEAEHO C[C@@]1(NC(=O)c2cccc(C[NH+]3CCCC3)c2)CN2CCC1CC2 ZINC000912377039 788150001 /nfs/dbraw/zinc/15/00/01/788150001.db2.gz CDTXEVXYJNQXQK-HXUWFJFHSA-N 1 3 327.472 2.497 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCc2cccnc21 ZINC000923198389 789116847 /nfs/dbraw/zinc/11/68/47/789116847.db2.gz HXIGFXIUTLCQLT-RDJZCZTQSA-N 1 3 347.507 2.030 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCc2cccnc21 ZINC000923198389 789116852 /nfs/dbraw/zinc/11/68/52/789116852.db2.gz HXIGFXIUTLCQLT-RDJZCZTQSA-N 1 3 347.507 2.030 10 0 EEAEHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1CCO[C@@H]1CCOC1 ZINC000923346221 789423753 /nfs/dbraw/zinc/42/37/53/789423753.db2.gz WCQQVSDVNRIDCH-XUVXKRRUSA-N 1 3 332.488 2.464 10 0 EEAEHO Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CC[C@@H](C[NH3+])[C@@H](C)C2)c(C)c1 ZINC000923500931 789685472 /nfs/dbraw/zinc/68/54/72/789685472.db2.gz SBOMFEMPERLZED-JYJNAYRXSA-N 1 3 346.475 2.257 10 0 EEAEHO COCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001566075595 1125548797 /nfs/dbraw/zinc/54/87/97/1125548797.db2.gz TXHDPALRZLCHLN-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO CCO[C@@H](C[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1)C1CC1 ZINC001436481273 1087965200 /nfs/dbraw/zinc/96/52/00/1087965200.db2.gz VZUJURDCJFWXFL-WMZOPIPTSA-N 1 3 348.491 2.128 10 0 EEAEHO C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NCc1cncc(F)c1 ZINC001437142613 1089135799 /nfs/dbraw/zinc/13/57/99/1089135799.db2.gz DFPCHWCYJMEPPT-RDTXWAMCSA-N 1 3 348.466 2.222 10 0 EEAEHO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)NCc1cncc(F)c1 ZINC001437142613 1089135807 /nfs/dbraw/zinc/13/58/07/1089135807.db2.gz DFPCHWCYJMEPPT-RDTXWAMCSA-N 1 3 348.466 2.222 10 0 EEAEHO Cc1cccc(C)c1CN(C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001437458911 1089773187 /nfs/dbraw/zinc/77/31/87/1089773187.db2.gz RIYPDSUVUNXPGE-LJQANCHMSA-N 1 3 329.488 2.193 10 0 EEAEHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(C)nc1C ZINC001438332857 1090807102 /nfs/dbraw/zinc/80/71/02/1090807102.db2.gz LSZUKMMCXYJZSI-KDOFPFPSSA-N 1 3 332.492 2.025 10 0 EEAEHO C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)[C@H]1CCCCN1C ZINC001438666164 1091155346 /nfs/dbraw/zinc/15/53/46/1091155346.db2.gz SFRPSGHJJAWEBU-CXAGYDPISA-N 1 3 339.430 2.386 10 0 EEAEHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001438680815 1091177044 /nfs/dbraw/zinc/17/70/44/1091177044.db2.gz IMVHFDZFXWYVOD-ZBFHGGJFSA-N 1 3 335.467 2.412 10 0 EEAEHO Cc1ccc(CN(C)C[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)cc1F ZINC001445825047 1091711901 /nfs/dbraw/zinc/71/19/01/1091711901.db2.gz TXEQNLCOGCHEEA-HOCLYGCPSA-N 1 3 335.467 2.412 10 0 EEAEHO Cc1ccc(CN(C)C[C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)cc1F ZINC001445825047 1091711905 /nfs/dbraw/zinc/71/19/05/1091711905.db2.gz TXEQNLCOGCHEEA-HOCLYGCPSA-N 1 3 335.467 2.412 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCc2c1cc(F)cc2F)N(C)C ZINC001439128316 1091773076 /nfs/dbraw/zinc/77/30/76/1091773076.db2.gz GCOQHZDQAZDBPO-ZTFRIQLXSA-N 1 3 339.430 2.387 10 0 EEAEHO Cc1cccnc1CN1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001439698155 1092651506 /nfs/dbraw/zinc/65/15/06/1092651506.db2.gz CUZPKGOIHFYAID-HXUWFJFHSA-N 1 3 344.503 2.156 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(CNCc3cnc(C)o3)C2)CC[N@@H+]1C ZINC001439882383 1092932251 /nfs/dbraw/zinc/93/22/51/1092932251.db2.gz AOSCYBCZFLWVHO-SCTDSRPQSA-N 1 3 348.491 2.042 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(CNCc3cnc(C)o3)C2)CC[N@H+]1C ZINC001439882383 1092932260 /nfs/dbraw/zinc/93/22/60/1092932260.db2.gz AOSCYBCZFLWVHO-SCTDSRPQSA-N 1 3 348.491 2.042 10 0 EEAEHO C[NH+](C)CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2CCC(F)(F)F ZINC001440183756 1093242039 /nfs/dbraw/zinc/24/20/39/1093242039.db2.gz CSUCNRBWEXFJDQ-KGLIPLIRSA-N 1 3 335.414 2.346 10 0 EEAEHO Cc1cccnc1CN1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001440185801 1093245204 /nfs/dbraw/zinc/24/52/04/1093245204.db2.gz FHMFRFHYHLZXQE-OALUTQOASA-N 1 3 344.503 2.297 10 0 EEAEHO Cc1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)CN(C)C4CCC4)[C@@H]3C2)cs1 ZINC001448424630 1093435590 /nfs/dbraw/zinc/43/55/90/1093435590.db2.gz BAXOLULAKTZIND-NNZMDNLPSA-N 1 3 347.528 2.335 10 0 EEAEHO Cc1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)CN(C)C4CCC4)[C@@H]3C2)cs1 ZINC001448424630 1093435593 /nfs/dbraw/zinc/43/55/93/1093435593.db2.gz BAXOLULAKTZIND-NNZMDNLPSA-N 1 3 347.528 2.335 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001440355724 1093511062 /nfs/dbraw/zinc/51/10/62/1093511062.db2.gz LNXQVIMCMPOWRL-JFIYKMOQSA-N 1 3 333.520 2.393 10 0 EEAEHO Cc1ncoc1CN1CCC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001440399397 1093582555 /nfs/dbraw/zinc/58/25/55/1093582555.db2.gz YDGWGKVYOZTYQF-DLBZAZTESA-N 1 3 348.491 2.328 10 0 EEAEHO Cc1ncoc1CN1CCC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001440399397 1093582562 /nfs/dbraw/zinc/58/25/62/1093582562.db2.gz YDGWGKVYOZTYQF-DLBZAZTESA-N 1 3 348.491 2.328 10 0 EEAEHO CCC1([NH2+]Cc2cncs2)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001440539456 1093806556 /nfs/dbraw/zinc/80/65/56/1093806556.db2.gz QBYCPPYLQWOUDF-UHFFFAOYSA-N 1 3 338.521 2.344 10 0 EEAEHO COC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001449359040 1094321983 /nfs/dbraw/zinc/32/19/83/1094321983.db2.gz ZLUOMWLCTFCEGV-JKSUJKDBSA-N 1 3 339.524 2.112 10 0 EEAEHO O=C(CC[NH+]1CCCCC1)NC[C@@H](NCc1cncs1)C1CC1 ZINC001441298577 1094742277 /nfs/dbraw/zinc/74/22/77/1094742277.db2.gz LVQNLKIFIZQNRO-MRXNPFEDSA-N 1 3 336.505 2.004 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](Cc3cccnc3)CC[C@@H]21 ZINC001441482615 1095156163 /nfs/dbraw/zinc/15/61/63/1095156163.db2.gz TXFOMNSFXUEUSA-OALUTQOASA-N 1 3 344.503 2.236 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](Cc3cccnc3)CC[C@@H]21 ZINC001441482615 1095156171 /nfs/dbraw/zinc/15/61/71/1095156171.db2.gz TXFOMNSFXUEUSA-OALUTQOASA-N 1 3 344.503 2.236 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCc1cccnc1 ZINC001441544279 1095265903 /nfs/dbraw/zinc/26/59/03/1095265903.db2.gz HKLYCRBQRYVNNQ-FUHWJXTLSA-N 1 3 332.492 2.139 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCc1cccnc1 ZINC001441544279 1095265914 /nfs/dbraw/zinc/26/59/14/1095265914.db2.gz HKLYCRBQRYVNNQ-FUHWJXTLSA-N 1 3 332.492 2.139 10 0 EEAEHO Cc1ccncc1CN[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001441848230 1095930637 /nfs/dbraw/zinc/93/06/37/1095930637.db2.gz XPTYTEPPJAOSCY-LPHOPBHVSA-N 1 3 344.503 2.391 10 0 EEAEHO Cc1ccncc1CN[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001441848230 1095930646 /nfs/dbraw/zinc/93/06/46/1095930646.db2.gz XPTYTEPPJAOSCY-LPHOPBHVSA-N 1 3 344.503 2.391 10 0 EEAEHO CN(C)c1ccccc1CN(C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001442217842 1096511371 /nfs/dbraw/zinc/51/13/71/1096511371.db2.gz RIQAYIOLIULMDE-SFHVURJKSA-N 1 3 346.519 2.127 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN(Cc3ccccc3F)C2)C1 ZINC001442909384 1097315473 /nfs/dbraw/zinc/31/54/73/1097315473.db2.gz UOJAKCTUJZPZFU-JKSUJKDBSA-N 1 3 333.451 2.106 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN(Cc3ccccc3F)C2)C1 ZINC001442909384 1097315480 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EEAEHO CCCN1CCN(c2ccccc2C[NH2+]CC(C)(C)OCCO)CC1 ZINC000342305234 161054821 /nfs/dbraw/zinc/05/48/21/161054821.db2.gz HJENRLYRKSNQRI-UHFFFAOYSA-N 1 3 349.519 2.096 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]CC2(CO)CCC2)CC1 ZINC000344348199 161219334 /nfs/dbraw/zinc/21/93/34/161219334.db2.gz IFPBNOVKYQERNX-UHFFFAOYSA-N 1 3 331.504 2.471 10 0 EEAEHO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN2CCC1CC2 ZINC000364734896 165252600 /nfs/dbraw/zinc/25/26/00/165252600.db2.gz ABHJZFHFTDMZBH-GOSISDBHSA-N 1 3 327.472 2.205 10 0 EEAEHO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN2CCC1CC2 ZINC000364734896 165252604 /nfs/dbraw/zinc/25/26/04/165252604.db2.gz ABHJZFHFTDMZBH-GOSISDBHSA-N 1 3 327.472 2.205 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)NCC(C)(C)[NH2+]C)c(C)c2)CC1 ZINC000270460038 279375061 /nfs/dbraw/zinc/37/50/61/279375061.db2.gz DDITYDRQBGDZEL-UHFFFAOYSA-N 1 3 347.507 2.256 10 0 EEAEHO CC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000414302295 312994411 /nfs/dbraw/zinc/99/44/11/312994411.db2.gz 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ZINC000563880962 319051647 /nfs/dbraw/zinc/05/16/47/319051647.db2.gz HGYCNSWRBXVDSD-OAQYLSRUSA-N 1 3 345.531 2.465 10 0 EEAEHO CN(C)CCOc1ccc(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)cc1 ZINC000565593049 319196194 /nfs/dbraw/zinc/19/61/94/319196194.db2.gz CRXLTSMVHGTCNH-LJQANCHMSA-N 1 3 346.446 2.459 10 0 EEAEHO CC[NH2+]CCCNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000565706230 319206179 /nfs/dbraw/zinc/20/61/79/319206179.db2.gz ZDZSJFGULWDDLU-UHFFFAOYSA-N 1 3 332.492 2.471 10 0 EEAEHO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H](N)C3)C2)c1 ZINC000569500889 319582794 /nfs/dbraw/zinc/58/27/94/319582794.db2.gz BRGGRYXSABNZQC-BZUAXINKSA-N 1 3 333.476 2.390 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)CO[C@@H]1CCCc2ccccc21 ZINC000570625462 319681983 /nfs/dbraw/zinc/68/19/83/319681983.db2.gz FIKJWJYMTCBOTA-LJQANCHMSA-N 1 3 347.503 2.032 10 0 EEAEHO CN(c1ccccc1C[NH2+]C[C@H]1CCC[C@@H]1O)C1CCN(C)CC1 ZINC000268361114 463717180 /nfs/dbraw/zinc/71/71/80/463717180.db2.gz PQEBEDYBYLQFST-XLIONFOSSA-N 1 3 331.504 2.468 10 0 EEAEHO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)NCCF ZINC000282964088 463717248 /nfs/dbraw/zinc/71/72/48/463717248.db2.gz ZVOLFGNLFPHZOJ-LEUOFYLZSA-N 1 3 333.451 2.246 10 0 EEAEHO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCCCC2)CCN1Cc1ccccc1 ZINC000268835310 463791428 /nfs/dbraw/zinc/79/14/28/463791428.db2.gz LNQHWVAZKCJDMJ-GIVPXCGWSA-N 1 3 345.531 2.476 10 0 EEAEHO CN(Cc1nccs1)[C@H]1CC12CCN(C[C@]1(C)CC[NH2+]C1)CC2 ZINC000261929040 463902836 /nfs/dbraw/zinc/90/28/36/463902836.db2.gz CNDGJEMSVMAXFF-DOTOQJQBSA-N 1 3 334.533 2.429 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N(C)CCC[NH+](C)C)CN1Cc1ccccc1 ZINC000186435135 463999773 /nfs/dbraw/zinc/99/97/73/463999773.db2.gz FZIXYFXRADVHFR-AEFFLSMTSA-N 1 3 332.492 2.243 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)NCC2(N3CCSCC3)CCCCC2)CC[NH2+]1 ZINC000262342578 464005407 /nfs/dbraw/zinc/00/54/07/464005407.db2.gz GHSBPGPLVQPMDP-HOTGVXAUSA-N 1 3 339.549 2.242 10 0 EEAEHO C[N@H+](CCC1CCN(c2ccncc2)CC1)CC1(O)CCOCC1 ZINC000271383868 464296702 /nfs/dbraw/zinc/29/67/02/464296702.db2.gz UGEPIWFTMJZEIW-UHFFFAOYSA-N 1 3 333.476 2.161 10 0 EEAEHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)CC1(O)CCOCC1 ZINC000271383868 464296706 /nfs/dbraw/zinc/29/67/06/464296706.db2.gz UGEPIWFTMJZEIW-UHFFFAOYSA-N 1 3 333.476 2.161 10 0 EEAEHO CCN1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000246419088 464581596 /nfs/dbraw/zinc/58/15/96/464581596.db2.gz LRPUNIBLFOKYNJ-MSOLQXFVSA-N 1 3 338.540 2.480 10 0 EEAEHO CCN1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000246419088 464581602 /nfs/dbraw/zinc/58/16/02/464581602.db2.gz LRPUNIBLFOKYNJ-MSOLQXFVSA-N 1 3 338.540 2.480 10 0 EEAEHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCCN(C2CC2)CC1 ZINC000250427396 464928964 /nfs/dbraw/zinc/92/89/64/464928964.db2.gz GPPUDTJYTXHPSC-ZACQAIPSSA-N 1 3 336.524 2.233 10 0 EEAEHO CN1CCO[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000192978691 465020438 /nfs/dbraw/zinc/02/04/38/465020438.db2.gz UKIAWIKBYYFICM-NXEWRWPSSA-N 1 3 329.488 2.102 10 0 EEAEHO CN1CCO[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000192978691 465020440 /nfs/dbraw/zinc/02/04/40/465020440.db2.gz UKIAWIKBYYFICM-NXEWRWPSSA-N 1 3 329.488 2.102 10 0 EEAEHO CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000340088209 465755254 /nfs/dbraw/zinc/75/52/54/465755254.db2.gz KIWKAJHGJMXEAE-MSOLQXFVSA-N 1 3 332.492 2.463 10 0 EEAEHO CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000340088209 465755261 /nfs/dbraw/zinc/75/52/61/465755261.db2.gz KIWKAJHGJMXEAE-MSOLQXFVSA-N 1 3 332.492 2.463 10 0 EEAEHO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)N2CCOCC2)o1 ZINC000353464933 465904942 /nfs/dbraw/zinc/90/49/42/465904942.db2.gz WCLUAJXHTYKJTB-YRXWBPOGSA-N 1 3 347.503 2.424 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000353466064 465905331 /nfs/dbraw/zinc/90/53/31/465905331.db2.gz YATHZOAOOVZKFJ-XWTMOSNGSA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000353466064 465905332 /nfs/dbraw/zinc/90/53/32/465905332.db2.gz YATHZOAOOVZKFJ-XWTMOSNGSA-N 1 3 336.524 2.375 10 0 EEAEHO COc1ccc(C[C@@H](C)NCC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000353671142 466056177 /nfs/dbraw/zinc/05/61/77/466056177.db2.gz MYZGHGRIMUUBOM-QGZVFWFLSA-N 1 3 347.503 2.208 10 0 EEAEHO Cc1ccc2nccc(N3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)c2c1 ZINC000302240117 466125639 /nfs/dbraw/zinc/12/56/39/466125639.db2.gz XHMPGYVYYWRUOA-IBGZPJMESA-N 1 3 338.455 2.462 10 0 EEAEHO Cc1ccc2nccc(N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)c2c1 ZINC000302240117 466125643 /nfs/dbraw/zinc/12/56/43/466125643.db2.gz XHMPGYVYYWRUOA-IBGZPJMESA-N 1 3 338.455 2.462 10 0 EEAEHO C[NH+](C)CCCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000353820738 466175948 /nfs/dbraw/zinc/17/59/48/466175948.db2.gz ZFOHNUJLIMARSE-KRWDZBQOSA-N 1 3 335.467 2.496 10 0 EEAEHO C[N@@H+]1CC[C@H](NCCNc2nccc(C(F)(F)F)n2)[C@H]2CCC[C@@H]21 ZINC000367603278 466441753 /nfs/dbraw/zinc/44/17/53/466441753.db2.gz YUNNYRHOUABAPT-AGIUHOORSA-N 1 3 343.397 2.370 10 0 EEAEHO C[N@H+]1CC[C@H](NCCNc2nccc(C(F)(F)F)n2)[C@H]2CCC[C@@H]21 ZINC000367603278 466441762 /nfs/dbraw/zinc/44/17/62/466441762.db2.gz YUNNYRHOUABAPT-AGIUHOORSA-N 1 3 343.397 2.370 10 0 EEAEHO CN(C)C(=O)COc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367620572 466452443 /nfs/dbraw/zinc/45/24/43/466452443.db2.gz DAHJXPPZSGAQAO-GUDVDZBRSA-N 1 3 345.487 2.116 10 0 EEAEHO CN(C)C(=O)COc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367620572 466452452 /nfs/dbraw/zinc/45/24/52/466452452.db2.gz DAHJXPPZSGAQAO-GUDVDZBRSA-N 1 3 345.487 2.116 10 0 EEAEHO CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c1 ZINC000367620572 466452458 /nfs/dbraw/zinc/45/24/58/466452458.db2.gz DAHJXPPZSGAQAO-GUDVDZBRSA-N 1 3 345.487 2.116 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000373514493 466830081 /nfs/dbraw/zinc/83/00/81/466830081.db2.gz JKIPLKQPMVLVIJ-UHOSZYNNSA-N 1 3 329.488 2.403 10 0 EEAEHO C[C@H](CCNC(=O)NCCCNCc1cccnc1)[NH+]1CCCCC1 ZINC000418023853 467025608 /nfs/dbraw/zinc/02/56/08/467025608.db2.gz SIODFKHLPWFXPX-QGZVFWFLSA-N 1 3 347.507 2.125 10 0 EEAEHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000418037483 467030359 /nfs/dbraw/zinc/03/03/59/467030359.db2.gz DGJJDFMFFPEOAJ-HQRMLTQVSA-N 1 3 344.503 2.420 10 0 EEAEHO CC(C)[C@H]([NH3+])CNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418038781 467031052 /nfs/dbraw/zinc/03/10/52/467031052.db2.gz FWLGEUIVPDANEY-IEBWSBKVSA-N 1 3 332.492 2.324 10 0 EEAEHO C[C@]1(CNC(=O)NCC2([NH3+])CCC2)CCCN1Cc1ccccc1 ZINC000418045188 467032770 /nfs/dbraw/zinc/03/27/70/467032770.db2.gz OAWCXEACFNHXOQ-GOSISDBHSA-N 1 3 330.476 2.222 10 0 EEAEHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000418429780 467109107 /nfs/dbraw/zinc/10/91/07/467109107.db2.gz OAGRLMLWUOKNRE-SJLPKXTDSA-N 1 3 330.476 2.060 10 0 EEAEHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000418429780 467109109 /nfs/dbraw/zinc/10/91/09/467109109.db2.gz OAGRLMLWUOKNRE-SJLPKXTDSA-N 1 3 330.476 2.060 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418548051 467126521 /nfs/dbraw/zinc/12/65/21/467126521.db2.gz JPMRTPDFTOTQMC-NEWSRXKRSA-N 1 3 344.503 2.290 10 0 EEAEHO CC[NH+]1CCC(N[C@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000414063699 467372056 /nfs/dbraw/zinc/37/20/56/467372056.db2.gz MREJXXWZPFYNNV-GFCCVEGCSA-N 1 3 342.281 2.073 10 0 EEAEHO CCCN1CCN(c2ccccc2CN[C@@H](CC[NH3+])C(F)F)CC1 ZINC000414986932 467461542 /nfs/dbraw/zinc/46/15/42/467461542.db2.gz IBVYZUBPEXVUHA-INIZCTEOSA-N 1 3 340.462 2.291 10 0 EEAEHO c1[nH]nc(-c2cccnc2)c1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248595 467968068 /nfs/dbraw/zinc/96/80/68/467968068.db2.gz MXGABFOILIDSNZ-GOSISDBHSA-N 1 3 341.459 2.062 10 0 EEAEHO C[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)n1cccc1 ZINC000520569663 468259376 /nfs/dbraw/zinc/25/93/76/468259376.db2.gz UQWDNZSDBZFOSR-INIZCTEOSA-N 1 3 332.492 2.114 10 0 EEAEHO COC(=O)c1cc(CNCC2(SC)CC[NH+](C)CC2)c(C)o1 ZINC000594608819 468634492 /nfs/dbraw/zinc/63/44/92/468634492.db2.gz BMOIXCJYWDLBGD-UHFFFAOYSA-N 1 3 326.462 2.292 10 0 EEAEHO CC(C)(C)OC(=O)C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000592376014 468685573 /nfs/dbraw/zinc/68/55/73/468685573.db2.gz WLFCHNOPFYYJLA-HZPDHXFCSA-N 1 3 338.492 2.341 10 0 EEAEHO CC(C)(C)OC(=O)C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000592376014 468685578 /nfs/dbraw/zinc/68/55/78/468685578.db2.gz WLFCHNOPFYYJLA-HZPDHXFCSA-N 1 3 338.492 2.341 10 0 EEAEHO C[C@@]1(CNC(=O)N[C@@H]2CCC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000571303969 468770419 /nfs/dbraw/zinc/77/04/19/468770419.db2.gz NNDCVTXWXYWYQT-MJGOQNOKSA-N 1 3 330.476 2.092 10 0 EEAEHO CN(C(=O)N[C@H](C[NH3+])C1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000561213151 468876653 /nfs/dbraw/zinc/87/66/53/468876653.db2.gz WOQYDOAKCSTHQP-RBUKOAKNSA-N 1 3 344.503 2.420 10 0 EEAEHO CS[C@H]1CCC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596318661 469241827 /nfs/dbraw/zinc/24/18/27/469241827.db2.gz PLPULNXCRGSLRF-XHSDSOJGSA-N 1 3 344.569 2.232 10 0 EEAEHO CS[C@H]1CCC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596318661 469241829 /nfs/dbraw/zinc/24/18/29/469241829.db2.gz PLPULNXCRGSLRF-XHSDSOJGSA-N 1 3 344.569 2.232 10 0 EEAEHO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000618547109 469384754 /nfs/dbraw/zinc/38/47/54/469384754.db2.gz BWANEHBBXGFELK-MSOLQXFVSA-N 1 3 332.492 2.463 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@@H]3CC3(F)F)CC2)CC1 ZINC000622195838 469403419 /nfs/dbraw/zinc/40/34/19/469403419.db2.gz WZSSSYAQEKEZLZ-OAHLLOKOSA-N 1 3 343.462 2.344 10 0 EEAEHO C[NH2+]CCOCCN(C)Cc1ccc(OC)c(Br)c1 ZINC000629652177 469599418 /nfs/dbraw/zinc/59/94/18/469599418.db2.gz CAKBRBMFSQTCTN-UHFFFAOYSA-N 1 3 331.254 2.126 10 0 EEAEHO CN1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1(C)C ZINC000623427765 469654537 /nfs/dbraw/zinc/65/45/37/469654537.db2.gz MBCMTEARWLHIBZ-HSALFYBXSA-N 1 3 345.531 2.332 10 0 EEAEHO C[N@@H+]1CC[C@H](N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1(C)C ZINC000623427765 469654540 /nfs/dbraw/zinc/65/45/40/469654540.db2.gz MBCMTEARWLHIBZ-HSALFYBXSA-N 1 3 345.531 2.332 10 0 EEAEHO C[N@H+]1CC[C@H](N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1(C)C ZINC000623427765 469654543 /nfs/dbraw/zinc/65/45/43/469654543.db2.gz MBCMTEARWLHIBZ-HSALFYBXSA-N 1 3 345.531 2.332 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCc1nc2ccccc2o1 ZINC000617503543 469701421 /nfs/dbraw/zinc/70/14/21/469701421.db2.gz NXXOGCRINQLENO-HNNXBMFYSA-N 1 3 346.475 2.149 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCc1nc2ccccc2o1 ZINC000617503543 469701425 /nfs/dbraw/zinc/70/14/25/469701425.db2.gz NXXOGCRINQLENO-HNNXBMFYSA-N 1 3 346.475 2.149 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CSc2ccccc21 ZINC000617505490 469704629 /nfs/dbraw/zinc/70/46/29/469704629.db2.gz FCQOEGBWWLAWEP-HOCLYGCPSA-N 1 3 335.517 2.264 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CSc2ccccc21 ZINC000617505490 469704631 /nfs/dbraw/zinc/70/46/31/469704631.db2.gz FCQOEGBWWLAWEP-HOCLYGCPSA-N 1 3 335.517 2.264 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cccnc1 ZINC000617507407 469705315 /nfs/dbraw/zinc/70/53/15/469705315.db2.gz VRBHTUJWRYXANX-WMZOPIPTSA-N 1 3 334.508 2.209 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cccnc1 ZINC000617507407 469705319 /nfs/dbraw/zinc/70/53/19/469705319.db2.gz VRBHTUJWRYXANX-WMZOPIPTSA-N 1 3 334.508 2.209 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]1C ZINC000617506908 469706792 /nfs/dbraw/zinc/70/67/92/469706792.db2.gz CAVBVKDBDRDZHA-CAMMJAKZSA-N 1 3 331.504 2.424 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]1C ZINC000617506908 469706796 /nfs/dbraw/zinc/70/67/96/469706796.db2.gz CAVBVKDBDRDZHA-CAMMJAKZSA-N 1 3 331.504 2.424 10 0 EEAEHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000617701741 469765616 /nfs/dbraw/zinc/76/56/16/469765616.db2.gz APCVBDPBLYCKHN-YJBOKZPZSA-N 1 3 347.503 2.036 10 0 EEAEHO CCc1cnc(CCNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000634706163 470282414 /nfs/dbraw/zinc/28/24/14/470282414.db2.gz LVOZKPIVRSTSAT-IBGZPJMESA-N 1 3 345.512 2.475 10 0 EEAEHO CCc1cnc(CCNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000634706163 470282415 /nfs/dbraw/zinc/28/24/15/470282415.db2.gz LVOZKPIVRSTSAT-IBGZPJMESA-N 1 3 345.512 2.475 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634760355 470299624 /nfs/dbraw/zinc/29/96/24/470299624.db2.gz BYOFXETVTUWEQB-OAHLLOKOSA-N 1 3 333.476 2.135 10 0 EEAEHO CN1CC[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2)[C@H]1c1ccccc1 ZINC000646190770 470560689 /nfs/dbraw/zinc/56/06/89/470560689.db2.gz AARATEBDSATAIN-RTBURBONSA-N 1 3 338.455 2.390 10 0 EEAEHO O[C@@H](C[NH2+]CCCCN1CCN(c2ccccc2)CC1)C(F)(F)F ZINC000644524962 470973351 /nfs/dbraw/zinc/97/33/51/470973351.db2.gz RFKVTISILJXXKM-INIZCTEOSA-N 1 3 345.409 2.102 10 0 EEAEHO CCc1ccc2nccc(N3CCN(CC[NH+](C)C)C(=O)C3)c2c1 ZINC000651382585 471153602 /nfs/dbraw/zinc/15/36/02/471153602.db2.gz OYFJKFYZEUVBPV-UHFFFAOYSA-N 1 3 326.444 2.007 10 0 EEAEHO CCn1nc(CN[C@@H](C)CN(C)CCC[NH+](C)C)c2ccccc21 ZINC000657573185 471173058 /nfs/dbraw/zinc/17/30/58/471173058.db2.gz LWGSLHSVKAXARK-INIZCTEOSA-N 1 3 331.508 2.418 10 0 EEAEHO [NH3+]CC1(CCNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000652152966 471246024 /nfs/dbraw/zinc/24/60/24/471246024.db2.gz ZIJOIYUNRAEQTJ-KRWDZBQOSA-N 1 3 330.476 2.079 10 0 EEAEHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCC1(C[NH3+])CC1)N(C)C ZINC000652191532 471253249 /nfs/dbraw/zinc/25/32/49/471253249.db2.gz XLNWYODCYFEXKU-NVXWUHKLSA-N 1 3 332.492 2.414 10 0 EEAEHO C[C@H](CCn1cccn1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658134750 471269669 /nfs/dbraw/zinc/26/96/69/471269669.db2.gz BTFCVPREAXHJJB-APWZRJJASA-N 1 3 328.460 2.018 10 0 EEAEHO Cc1nn(C)cc1[C@H](C)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139489 471270202 /nfs/dbraw/zinc/27/02/02/471270202.db2.gz MAPLNGKMANSFTJ-KBXCAEBGSA-N 1 3 328.460 2.146 10 0 EEAEHO Cc1nn(C)cc1[C@H](C)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658139489 471270205 /nfs/dbraw/zinc/27/02/05/471270205.db2.gz MAPLNGKMANSFTJ-KBXCAEBGSA-N 1 3 328.460 2.146 10 0 EEAEHO C[C@H]1CN(C(=O)N[C@@H]2CCCN(C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000652418142 471288422 /nfs/dbraw/zinc/28/84/22/471288422.db2.gz UDJYKOLCXXKFGG-IEBWSBKVSA-N 1 3 344.503 2.244 10 0 EEAEHO C[C@H]1CN(C(=O)N[C@@H]2CCCN(C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000652418142 471288424 /nfs/dbraw/zinc/28/84/24/471288424.db2.gz UDJYKOLCXXKFGG-IEBWSBKVSA-N 1 3 344.503 2.244 10 0 EEAEHO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659031880 471474921 /nfs/dbraw/zinc/47/49/21/471474921.db2.gz PAORITVIMWISDY-GOSISDBHSA-N 1 3 346.475 2.296 10 0 EEAEHO CC(C)[N@H+]1CCCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659031880 471474930 /nfs/dbraw/zinc/47/49/30/471474930.db2.gz PAORITVIMWISDY-GOSISDBHSA-N 1 3 346.475 2.296 10 0 EEAEHO C[C@H](NC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C(C)(C)C[NH+](C)C ZINC000659039603 471482592 /nfs/dbraw/zinc/48/25/92/471482592.db2.gz LTHSMQNSKBXZEN-WMLDXEAASA-N 1 3 348.491 2.445 10 0 EEAEHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1ccc2c(c1)CNC2 ZINC000669469226 471509266 /nfs/dbraw/zinc/50/92/66/471509266.db2.gz DHIQVRAQSCYDLG-HUUCEWRRSA-N 1 3 330.476 2.352 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000664087932 471632974 /nfs/dbraw/zinc/63/29/74/471632974.db2.gz SNKWICNQSCUEOR-GJYPPUQNSA-N 1 3 346.519 2.491 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000664087932 471632979 /nfs/dbraw/zinc/63/29/79/471632979.db2.gz SNKWICNQSCUEOR-GJYPPUQNSA-N 1 3 346.519 2.491 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)Cc1ccco1 ZINC000667811473 471917076 /nfs/dbraw/zinc/91/70/76/471917076.db2.gz NCYSSILTQQHXCS-DLBZAZTESA-N 1 3 335.492 2.333 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)Cc1ccco1 ZINC000667811473 471917078 /nfs/dbraw/zinc/91/70/78/471917078.db2.gz NCYSSILTQQHXCS-DLBZAZTESA-N 1 3 335.492 2.333 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2ccc(F)cc21 ZINC000665640456 472120774 /nfs/dbraw/zinc/12/07/74/472120774.db2.gz VFHGDKUMOVDAPT-AWEZNQCLSA-N 1 3 336.455 2.170 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2ccc(F)cc21 ZINC000665640456 472120775 /nfs/dbraw/zinc/12/07/75/472120775.db2.gz VFHGDKUMOVDAPT-AWEZNQCLSA-N 1 3 336.455 2.170 10 0 EEAEHO C[C@@H](CC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C1CC[NH2+]CC1 ZINC000662685730 472204808 /nfs/dbraw/zinc/20/48/08/472204808.db2.gz HEUUMLVDVYUMEC-KBXCAEBGSA-N 1 3 331.460 2.312 10 0 EEAEHO CO[C@@H]1CCC[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000684373870 485862756 /nfs/dbraw/zinc/86/27/56/485862756.db2.gz DDFAOXXVQLIAGS-IEBWSBKVSA-N 1 3 332.492 2.141 10 0 EEAEHO C[C@H](O)C[NH+]1CCC(CN(C)C[C@H](O)c2c(F)cccc2F)CC1 ZINC000171589032 534078068 /nfs/dbraw/zinc/07/80/68/534078068.db2.gz YJWFPSRIPGGQJD-GUYCJALGSA-N 1 3 342.430 2.023 10 0 EEAEHO C[C@H]1[C@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CCN1C ZINC000925314073 691640833 /nfs/dbraw/zinc/64/08/33/691640833.db2.gz CRORNDGGSOIVQQ-FUHWJXTLSA-N 1 3 336.524 2.377 10 0 EEAEHO CC(C)OCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001485504240 1191818387 /nfs/dbraw/zinc/81/83/87/1191818387.db2.gz RPBRZUUSHZEKKH-SJLPKXTDSA-N 1 3 339.524 2.111 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1CN(CCCF)CC1(C)C)[NH+]1CCCC1 ZINC001485588508 1191858647 /nfs/dbraw/zinc/85/86/47/1191858647.db2.gz ZHPODYJDMFOUPK-HOTGVXAUSA-N 1 3 327.488 2.293 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1C[N@H+](CCCF)CC1(C)C)N1CCCC1 ZINC001485588508 1191858648 /nfs/dbraw/zinc/85/86/48/1191858648.db2.gz ZHPODYJDMFOUPK-HOTGVXAUSA-N 1 3 327.488 2.293 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1C[N@@H+](CCCF)CC1(C)C)N1CCCC1 ZINC001485588508 1191858650 /nfs/dbraw/zinc/85/86/50/1191858650.db2.gz ZHPODYJDMFOUPK-HOTGVXAUSA-N 1 3 327.488 2.293 10 0 EEAEHO C[C@H]([NH2+]CCC1CCCCC1)[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001485642813 1191876686 /nfs/dbraw/zinc/87/66/86/1191876686.db2.gz FTAGTPFFPLWUEL-MAUKXSAKSA-N 1 3 348.491 2.128 10 0 EEAEHO COCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001266764362 1177375238 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EEAEHO Cc1cccc(C)c1OCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001268078197 1181684335 /nfs/dbraw/zinc/68/43/35/1181684335.db2.gz BYANAAFRTTYSPW-ZWKOTPCHSA-N 1 3 347.503 2.213 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NCC2CN(CCc3ccc(Cl)cc3)C2)C1 ZINC001481654835 1182136774 /nfs/dbraw/zinc/13/67/74/1182136774.db2.gz LWUQCOQHCWHWMC-INIZCTEOSA-N 1 3 349.906 2.272 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NCC2CN(CCc3ccc(Cl)cc3)C2)C1 ZINC001481654835 1182136777 /nfs/dbraw/zinc/13/67/77/1182136777.db2.gz LWUQCOQHCWHWMC-INIZCTEOSA-N 1 3 349.906 2.272 10 0 EEAEHO Cc1ncccc1C[NH2+]CC[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001481991088 1183097872 /nfs/dbraw/zinc/09/78/72/1183097872.db2.gz JMHFRUGHIFEMII-GOSISDBHSA-N 1 3 346.519 2.449 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001268520357 1183168333 /nfs/dbraw/zinc/16/83/33/1183168333.db2.gz CCXUJLPNAZIHPX-VURNCLMJSA-N 1 3 341.499 2.148 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCc1ccc(Cl)nc1 ZINC001268647982 1183579123 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CCc1nocc1C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001269712331 1184544547 /nfs/dbraw/zinc/54/45/47/1184544547.db2.gz PBBQJDFGDRSBRJ-MAUKXSAKSA-N 1 3 348.491 2.050 10 0 EEAEHO CCCCOCC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001270335222 1185028673 /nfs/dbraw/zinc/02/86/73/1185028673.db2.gz DKHJDSYTNUJHOY-UHFFFAOYSA-N 1 3 348.491 2.083 10 0 EEAEHO CCCCOCC[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001270335222 1185028680 /nfs/dbraw/zinc/02/86/80/1185028680.db2.gz DKHJDSYTNUJHOY-UHFFFAOYSA-N 1 3 348.491 2.083 10 0 EEAEHO O=C(N[C@@H](CNCCF)C1CCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001270450703 1185105306 /nfs/dbraw/zinc/10/53/06/1185105306.db2.gz XLVWSJWSIMOOEF-SFHVURJKSA-N 1 3 339.499 2.343 10 0 EEAEHO CC[C@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CCOCC1)N(C)C ZINC001271043803 1185838970 /nfs/dbraw/zinc/83/89/70/1185838970.db2.gz HPEQMIUPOOQZJI-QGZVFWFLSA-N 1 3 337.508 2.082 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cnc(C)s1 ZINC001482691457 1187665734 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CC(C)[NH+]1CCC(C(=O)N(C)CCCN[C@H](C)c2cnccn2)CC1 ZINC001483500900 1190516879 /nfs/dbraw/zinc/51/68/79/1190516879.db2.gz DOCZLAPMMMALDZ-MRXNPFEDSA-N 1 3 347.507 2.096 10 0 EEAEHO Cc1nc(C[NH2+]CCCN(C)C(=O)CN(C)C(C)C)sc1C ZINC001483512222 1190525704 /nfs/dbraw/zinc/52/57/04/1190525704.db2.gz SHDJIRCNOPJSHD-UHFFFAOYSA-N 1 3 326.510 2.038 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CNCc1ccns1)C1CC1 ZINC001483560224 1190548531 /nfs/dbraw/zinc/54/85/31/1190548531.db2.gz CEYVWDUXLIXWQM-HZPDHXFCSA-N 1 3 336.505 2.000 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](CNCc1ccns1)C1CC1 ZINC001483560224 1190548535 /nfs/dbraw/zinc/54/85/35/1190548535.db2.gz CEYVWDUXLIXWQM-HZPDHXFCSA-N 1 3 336.505 2.000 10 0 EEAEHO Cc1ccc(C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C2CC2)c(C)n1 ZINC001483606155 1190584504 /nfs/dbraw/zinc/58/45/04/1190584504.db2.gz BANCZTODCAREPB-GOSISDBHSA-N 1 3 332.492 2.023 10 0 EEAEHO Cc1ccc(CN[C@@H]2C[C@H](C)N(C(=O)C3(C[NH+](C)C)CC3)C2)c(C)n1 ZINC001486122120 1193687969 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CC(C)N1CCc2ccccc2[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485006419 1191612580 /nfs/dbraw/zinc/61/25/80/1191612580.db2.gz SEVSQYHMGZEVAG-APWZRJJASA-N 1 3 329.488 2.452 10 0 EEAEHO CC(C)N1CCc2ccccc2[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001485006419 1191612581 /nfs/dbraw/zinc/61/25/81/1191612581.db2.gz SEVSQYHMGZEVAG-APWZRJJASA-N 1 3 329.488 2.452 10 0 EEAEHO C[C@@H](NCc1ccc(F)c(F)c1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001485185355 1191680519 /nfs/dbraw/zinc/68/05/19/1191680519.db2.gz DGINVOBXCSRPBN-OLZOCXBDSA-N 1 3 339.430 2.289 10 0 EEAEHO Cc1ncsc1CN[C@@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485201993 1191683862 /nfs/dbraw/zinc/68/38/62/1191683862.db2.gz ZHHBTGLERYETMV-STQMWFEESA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1ccc(F)c(CN[C@@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001485192213 1191686785 /nfs/dbraw/zinc/68/67/85/1191686785.db2.gz ZJAZKFHHAQFFPK-LSDHHAIUSA-N 1 3 335.467 2.459 10 0 EEAEHO C[C@H](F)CC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC001486240379 1193767216 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2.147 10 0 EEAEHO CC1(C)CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NC/C=C/Cl ZINC001411027890 1198707912 /nfs/dbraw/zinc/70/79/12/1198707912.db2.gz VQOQAARRYBVPKS-PMGBHYCQSA-N 1 3 327.900 2.442 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000810429008 1199507053 /nfs/dbraw/zinc/50/70/53/1199507053.db2.gz UBMVSZJKROZDLQ-YJBOKZPZSA-N 1 3 325.472 2.143 10 0 EEAEHO Cc1ccc([C@@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)N2CCCC2)cc1 ZINC000870875830 1200924913 /nfs/dbraw/zinc/92/49/13/1200924913.db2.gz LBIDBJVZBXETMV-RMJJICAUSA-N 1 3 327.472 2.376 10 0 EEAEHO Cc1ccc(CNC/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1F ZINC001274104958 1204374409 /nfs/dbraw/zinc/37/44/09/1204374409.db2.gz FNKZCAKGXCZJLJ-MJRGOJFPSA-N 1 3 335.467 2.482 10 0 EEAEHO CC(C)OCCC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001274368946 1205012082 /nfs/dbraw/zinc/01/20/82/1205012082.db2.gz WZDQDNCUJOWHHH-QGZVFWFLSA-N 1 3 341.540 2.358 10 0 EEAEHO CC[N@H+](C)CCC(=O)NC/C=C\CN[C@H]1CCc2c1cccc2F ZINC001274489873 1205056092 /nfs/dbraw/zinc/05/60/92/1205056092.db2.gz NGHNIHRVXVNYDL-XDXAGZTOSA-N 1 3 333.451 2.417 10 0 EEAEHO CC[N@@H+](C)CCC(=O)NC/C=C\CN[C@H]1CCc2c1cccc2F ZINC001274489873 1205056094 /nfs/dbraw/zinc/05/60/94/1205056094.db2.gz NGHNIHRVXVNYDL-XDXAGZTOSA-N 1 3 333.451 2.417 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC[C@H]1CCCC1(F)F)N(C)C ZINC001274913822 1205206871 /nfs/dbraw/zinc/20/68/71/1205206871.db2.gz XBKQXTSIFQLXMW-RBSFLKMASA-N 1 3 333.467 2.492 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CCc1c(F)cccc1Cl)N(C)C ZINC001275202165 1205279776 /nfs/dbraw/zinc/27/97/76/1205279776.db2.gz FIBSFBURNUZZNH-BLLLJJGKSA-N 1 3 343.874 2.456 10 0 EEAEHO C[C@@H](C[NH2+]CCCc1cccc(F)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001275310101 1205305238 /nfs/dbraw/zinc/30/52/38/1205305238.db2.gz ZXBPVDKYCLEWPN-HOTGVXAUSA-N 1 3 335.467 2.194 10 0 EEAEHO C[C@@H](C[NH2+]CCCc1cccc(F)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001275310100 1205305322 /nfs/dbraw/zinc/30/53/22/1205305322.db2.gz ZXBPVDKYCLEWPN-CVEARBPZSA-N 1 3 335.467 2.194 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC001411611145 1205452661 /nfs/dbraw/zinc/45/26/61/1205452661.db2.gz JGRLUNISXGMMPP-MOPGFXCFSA-N 1 3 331.504 2.396 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H](C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC001411611145 1205452662 /nfs/dbraw/zinc/45/26/62/1205452662.db2.gz JGRLUNISXGMMPP-MOPGFXCFSA-N 1 3 331.504 2.396 10 0 EEAEHO CC1(C)C[C@@H](NCc2cccc(NS(C)(=O)=O)c2)C[C@@H]([NH3+])C1 ZINC000925525537 1206123340 /nfs/dbraw/zinc/12/33/40/1206123340.db2.gz HUTDESLOUSRSFE-HIFRSBDPSA-N 1 3 325.478 2.054 10 0 EEAEHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CCN(C(=O)Nc3ccccc3)C1)[NH2+]2 ZINC000925664238 1206141160 /nfs/dbraw/zinc/14/11/60/1206141160.db2.gz DNVCSQMWACYUGA-REEYDVFISA-N 1 3 328.460 2.411 10 0 EEAEHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]3CC[C@H]([NH3+])C3)c2)CC1 ZINC000926097023 1206191660 /nfs/dbraw/zinc/19/16/60/1206191660.db2.gz YLSXAMOLWWDCKK-CVEARBPZSA-N 1 3 345.491 2.077 10 0 EEAEHO CC(C)N1CCC([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000903191431 1239975265 /nfs/dbraw/zinc/97/52/65/1239975265.db2.gz WLORYWNTKQQQSV-UHFFFAOYSA-N 1 3 345.553 2.089 10 0 EEAEHO CCN1CCN(c2ccc(F)cc2[C@@H](C)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903458729 1240529377 /nfs/dbraw/zinc/52/93/77/1240529377.db2.gz IHYIDBHPZAPYQK-ZACQAIPSSA-N 1 3 348.510 2.474 10 0 EEAEHO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)C[C@@H](CN)Cc1cnn(C)c1C ZINC000903898860 1242393860 /nfs/dbraw/zinc/39/38/60/1242393860.db2.gz OSSNXUZLGRSWFZ-BPQIPLTHSA-N 1 3 336.524 2.371 10 0 EEAEHO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)C[C@@H](CN)Cc1cnn(C)c1C ZINC000903898860 1242393874 /nfs/dbraw/zinc/39/38/74/1242393874.db2.gz OSSNXUZLGRSWFZ-BPQIPLTHSA-N 1 3 336.524 2.371 10 0 EEAEHO CCC1(CC)[C@H](OC)C[C@@H]1N(C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903898860 1242393886 /nfs/dbraw/zinc/39/38/86/1242393886.db2.gz OSSNXUZLGRSWFZ-BPQIPLTHSA-N 1 3 336.524 2.371 10 0 EEAEHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C1)CC(C)(C)C ZINC001491056589 1258626051 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Cc1ccccc1CN1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001441203889 1094565078 /nfs/dbraw/zinc/56/50/78/1094565078.db2.gz JMJZNGBHKBGFBR-SJORKVTESA-N 1 3 329.488 2.273 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C[C@@H]1C ZINC001441830440 1095886978 /nfs/dbraw/zinc/88/69/78/1095886978.db2.gz GUXINUATMUPWPA-ZFWWWQNUSA-N 1 3 339.430 2.384 10 0 EEAEHO Cc1ccncc1CN[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001441865962 1095973841 /nfs/dbraw/zinc/97/38/41/1095973841.db2.gz DHVQCQVUJMFSRB-FUHWJXTLSA-N 1 3 332.492 2.105 10 0 EEAEHO Cc1ccncc1CN[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001441865962 1095973848 /nfs/dbraw/zinc/97/38/48/1095973848.db2.gz DHVQCQVUJMFSRB-FUHWJXTLSA-N 1 3 332.492 2.105 10 0 EEAEHO Cc1ccc(CC[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001443346854 1097869315 /nfs/dbraw/zinc/86/93/15/1097869315.db2.gz XMNMASODOZVSMB-FQEVSTJZSA-N 1 3 343.515 2.414 10 0 EEAEHO Cc1ccc(CC[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001443346854 1097869319 /nfs/dbraw/zinc/86/93/19/1097869319.db2.gz XMNMASODOZVSMB-FQEVSTJZSA-N 1 3 343.515 2.414 10 0 EEAEHO CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1ccc2c(c1)COC2)N(C)C ZINC001479794591 1099006548 /nfs/dbraw/zinc/00/65/48/1099006548.db2.gz PBINVDGPXGQMDY-LJQANCHMSA-N 1 3 347.503 2.241 10 0 EEAEHO CC(C)[C@H](C(=O)NCCC[N@@H+](C)Cc1ccc2c(c1)COC2)N(C)C ZINC001479794591 1099006562 /nfs/dbraw/zinc/00/65/62/1099006562.db2.gz PBINVDGPXGQMDY-LJQANCHMSA-N 1 3 347.503 2.241 10 0 EEAEHO Cc1cccnc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001446415623 1100825273 /nfs/dbraw/zinc/82/52/73/1100825273.db2.gz FJUBILQPDTXRGZ-IAGOWNOFSA-N 1 3 332.492 2.199 10 0 EEAEHO Cc1cc(CNC[C@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)sn1 ZINC001496484473 1101076311 /nfs/dbraw/zinc/07/63/11/1101076311.db2.gz XAWNCMBRVCVDRF-CJNGLKHVSA-N 1 3 338.521 2.120 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](NCc1cnoc1C)C(C)C ZINC001496566282 1101167407 /nfs/dbraw/zinc/16/74/07/1101167407.db2.gz JUYYSOIYSOHQNO-DLBZAZTESA-N 1 3 336.480 2.088 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](NCc1cnoc1C)C(C)C ZINC001496566282 1101167410 /nfs/dbraw/zinc/16/74/10/1101167410.db2.gz JUYYSOIYSOHQNO-DLBZAZTESA-N 1 3 336.480 2.088 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cn2)CC1 ZINC001495482103 1101191743 /nfs/dbraw/zinc/19/17/43/1101191743.db2.gz OZZODPUSGBOVDD-WKILWMFISA-N 1 3 336.455 2.078 10 0 EEAEHO CC(C)[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCc1cncs1 ZINC001496638500 1101243785 /nfs/dbraw/zinc/24/37/85/1101243785.db2.gz FNTBZGJKRSYXLN-MRXNPFEDSA-N 1 3 338.521 2.250 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)CCc2ccccc2)CC[N@@H+]1C ZINC001496708277 1101311479 /nfs/dbraw/zinc/31/14/79/1101311479.db2.gz XWWTTWHBWREAMF-RBUKOAKNSA-N 1 3 331.504 2.350 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)CCc2ccccc2)CC[N@H+]1C ZINC001496708277 1101311492 /nfs/dbraw/zinc/31/14/92/1101311492.db2.gz XWWTTWHBWREAMF-RBUKOAKNSA-N 1 3 331.504 2.350 10 0 EEAEHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1cccc(Cl)n1 ZINC001495685899 1101434652 /nfs/dbraw/zinc/43/46/52/1101434652.db2.gz XVMZFTSQIFVRTK-CYBMUJFWSA-N 1 3 338.883 2.061 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(NCc2conc2C)CCCC1 ZINC001495918571 1101762632 /nfs/dbraw/zinc/76/26/32/1101762632.db2.gz NBSBRLIOLZEYQL-QGZVFWFLSA-N 1 3 348.491 2.376 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(NCc2conc2C)CCCC1 ZINC001495918571 1101762642 /nfs/dbraw/zinc/76/26/42/1101762642.db2.gz NBSBRLIOLZEYQL-QGZVFWFLSA-N 1 3 348.491 2.376 10 0 EEAEHO CCCc1nc(C)c(CNCC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)o1 ZINC001497309206 1102293872 /nfs/dbraw/zinc/29/38/72/1102293872.db2.gz XPBUYYIAVBDFLR-CQSZACIVSA-N 1 3 348.491 2.016 10 0 EEAEHO CC(C)OCCCN1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001494280273 1103804330 /nfs/dbraw/zinc/80/43/30/1103804330.db2.gz IJKAQOZUQOOSSL-QGZVFWFLSA-N 1 3 337.508 2.011 10 0 EEAEHO C[C@@H](CNCc1cncc(F)c1)NC(=O)CCC[NH+]1CCCCC1 ZINC001498189261 1107050175 /nfs/dbraw/zinc/05/01/75/1107050175.db2.gz DFBVXYBNHQYMOA-HNNXBMFYSA-N 1 3 336.455 2.081 10 0 EEAEHO CC(C)n1ccc(CNCCCN(C)C(=O)CC2CC[NH+](C)CC2)n1 ZINC001498621824 1107829054 /nfs/dbraw/zinc/82/90/54/1107829054.db2.gz QDEMJNXLYJMSEK-UHFFFAOYSA-N 1 3 349.523 2.134 10 0 EEAEHO C[N@@H+]1CC[C@@H](C(=O)NCC2(N[C@@H]3CCc4ccc(F)cc43)CC2)C1 ZINC001499447898 1112291394 /nfs/dbraw/zinc/29/13/94/1112291394.db2.gz AMQNPMVXNNQTTJ-RHSMWYFYSA-N 1 3 331.435 2.003 10 0 EEAEHO C[N@H+]1CC[C@@H](C(=O)NCC2(N[C@@H]3CCc4ccc(F)cc43)CC2)C1 ZINC001499447898 1112291399 /nfs/dbraw/zinc/29/13/99/1112291399.db2.gz AMQNPMVXNNQTTJ-RHSMWYFYSA-N 1 3 331.435 2.003 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2cnc(C)s2)C1 ZINC001501083206 1113192681 /nfs/dbraw/zinc/19/26/81/1113192681.db2.gz FPUUDNHGBOGEBZ-UKRRQHHQSA-N 1 3 338.521 2.120 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC001505760729 1114174704 /nfs/dbraw/zinc/17/47/04/1114174704.db2.gz OJZKNAMIPOEUQS-JKSUJKDBSA-N 1 3 347.503 2.082 10 0 EEAEHO Cc1cccnc1C[NH2+]CCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001506924471 1114977979 /nfs/dbraw/zinc/97/79/79/1114977979.db2.gz NOIRGUXCWKFUOY-INIZCTEOSA-N 1 3 332.492 2.249 10 0 EEAEHO CC(C)COCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001507326982 1115194211 /nfs/dbraw/zinc/19/42/11/1115194211.db2.gz OFBKODRRBYFSRB-IAGOWNOFSA-N 1 3 341.540 2.216 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C[NH2+]C[C@@H](O)c1ccccc1)C(C)(C)C)N(C)C ZINC001507963546 1115381406 /nfs/dbraw/zinc/38/14/06/1115381406.db2.gz MIRAJGLJOBBLBO-KURKYZTESA-N 1 3 349.519 2.181 10 0 EEAEHO CCOC1CC(C[N@H+]2CC=C(CNC(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001508204929 1115443814 /nfs/dbraw/zinc/44/38/14/1115443814.db2.gz ABPILZIJORERBR-UHFFFAOYSA-N 1 3 349.519 2.034 10 0 EEAEHO CCOC1CC(C[N@@H+]2CC=C(CNC(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001508204929 1115443817 /nfs/dbraw/zinc/44/38/17/1115443817.db2.gz ABPILZIJORERBR-UHFFFAOYSA-N 1 3 349.519 2.034 10 0 EEAEHO Cc1ccccc1OCCCN1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001567921365 1124180823 /nfs/dbraw/zinc/18/08/23/1124180823.db2.gz WBRUIGILTNIGNJ-SFHVURJKSA-N 1 3 347.503 2.248 10 0 EEAEHO Cc1cccc(CCC[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)c1 ZINC001568318453 1124418360 /nfs/dbraw/zinc/41/83/60/1124418360.db2.gz AUHRWYIBCNFTCR-GOSISDBHSA-N 1 3 331.504 2.460 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)CC[N@H+](C)CCCCC(F)(F)F)C1 ZINC001568496255 1124554261 /nfs/dbraw/zinc/55/42/61/1124554261.db2.gz NRNADWBDWRWAEV-AWEZNQCLSA-N 1 3 337.430 2.451 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)CC[N@@H+](C)CCCCC(F)(F)F)C1 ZINC001568496255 1124554264 /nfs/dbraw/zinc/55/42/64/1124554264.db2.gz NRNADWBDWRWAEV-AWEZNQCLSA-N 1 3 337.430 2.451 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001568898088 1124926287 /nfs/dbraw/zinc/92/62/87/1124926287.db2.gz IJWJXGVBSGBNJL-CDDIUSEKSA-N 1 3 341.499 2.463 10 0 EEAEHO C[C@@H](NC/C=C\CNC(=O)C12CC[NH+](CC1)C2)c1cccc(F)c1 ZINC001568951218 1124984991 /nfs/dbraw/zinc/98/49/91/1124984991.db2.gz NLPJQGUUZLUXBO-MPNWYJEXSA-N 1 3 331.435 2.245 10 0 EEAEHO Cc1ncoc1CNCCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001569209352 1125165660 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2.396 10 0 EEAEHO CN(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)NCCc2ccccc2)C1 ZINC000019770304 212063247 /nfs/dbraw/zinc/06/32/47/212063247.db2.gz JKSLFZOELFFCCQ-LJQANCHMSA-N 1 3 346.519 2.287 10 0 EEAEHO CN(C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)NCCc2ccccc2)C1 ZINC000019770304 212063249 /nfs/dbraw/zinc/06/32/49/212063249.db2.gz JKSLFZOELFFCCQ-LJQANCHMSA-N 1 3 346.519 2.287 10 0 EEAEHO C[NH+](C)C1(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)CCCCCC1 ZINC000465634291 245353050 /nfs/dbraw/zinc/35/30/50/245353050.db2.gz PXZFQUGRSLFOSB-QGZVFWFLSA-N 1 3 334.508 2.297 10 0 EEAEHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CN(C3CC3)C[C@H]1C)CC2 ZINC000342336164 161057222 /nfs/dbraw/zinc/05/72/22/161057222.db2.gz IHOKEUWQVCCOQZ-BGTYHANMSA-N 1 3 334.508 2.126 10 0 EEAEHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CN(C3CC3)C[C@H]1C)CC2 ZINC000342336164 161057223 /nfs/dbraw/zinc/05/72/23/161057223.db2.gz IHOKEUWQVCCOQZ-BGTYHANMSA-N 1 3 334.508 2.126 10 0 EEAEHO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000346520349 161378992 /nfs/dbraw/zinc/37/89/92/161378992.db2.gz BKQCUYHEPDYWQG-DLBZAZTESA-N 1 3 339.549 2.383 10 0 EEAEHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000416785425 313315983 /nfs/dbraw/zinc/31/59/83/313315983.db2.gz KWPPMQRBRZFTAZ-GBESFXJTSA-N 1 3 342.487 2.217 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)N(C)C)cc1 ZINC000416845933 313334218 /nfs/dbraw/zinc/33/42/18/313334218.db2.gz SMFVYQFFCPTSME-WBAXXEDZSA-N 1 3 332.492 2.149 10 0 EEAEHO CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000416906794 313356876 /nfs/dbraw/zinc/35/68/76/313356876.db2.gz SOEYXMZCLWZNPO-SFHVURJKSA-N 1 3 332.492 2.455 10 0 EEAEHO NCc1cc(NC(=O)COC2CCC([NH3+])CC2)cc(C(F)(F)F)c1 ZINC000417840105 313614213 /nfs/dbraw/zinc/61/42/13/313614213.db2.gz ZHLFIQALUCIJHT-UHFFFAOYSA-N 1 3 345.365 2.389 10 0 EEAEHO Cc1ccc(NC(=O)COC2CCC([NH3+])CC2)c(OCCN(C)C)c1 ZINC000517572818 316676334 /nfs/dbraw/zinc/67/63/34/316676334.db2.gz ROGGPHYRVASFHZ-UHFFFAOYSA-N 1 3 349.475 2.160 10 0 EEAEHO O=C1CCCCN1C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000566351564 319277611 /nfs/dbraw/zinc/27/76/11/319277611.db2.gz PNBFFGNJXZDNFG-UHFFFAOYSA-N 1 3 327.472 2.309 10 0 EEAEHO C[C@@H]1CCN(CCNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000575805513 320115654 /nfs/dbraw/zinc/11/56/54/320115654.db2.gz NKWSIHKKJPPZIB-MRXNPFEDSA-N 1 3 329.488 2.300 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CN(C)C)c2ccccc2)C[N@@H+]1C1CC1 ZINC000128770971 462669776 /nfs/dbraw/zinc/66/97/76/462669776.db2.gz OVTJJYZYDXXIML-HFTRVMKXSA-N 1 3 330.476 2.214 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CN(C)C)c2ccccc2)C[N@H+]1C1CC1 ZINC000128770971 462669779 /nfs/dbraw/zinc/66/97/79/462669779.db2.gz OVTJJYZYDXXIML-HFTRVMKXSA-N 1 3 330.476 2.214 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000155292323 462871486 /nfs/dbraw/zinc/87/14/86/462871486.db2.gz HDNSBJHPHSNAFQ-ICSRJNTNSA-N 1 3 344.503 2.435 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000155292323 462871493 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EEAEHO CC(C)[NH+]1CCC(C(=O)N(C)[C@H](C)CNCc2cncs2)CC1 ZINC001482346765 1185469370 /nfs/dbraw/zinc/46/93/70/1185469370.db2.gz BCKKUFOLTQEXMY-CQSZACIVSA-N 1 3 338.521 2.200 10 0 EEAEHO CCc1ccc(C[NH2+]C/C=C/CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001483061279 1188364376 /nfs/dbraw/zinc/36/43/76/1188364376.db2.gz UYTGFJCLJCXDGM-LAQIPUCWSA-N 1 3 329.488 2.353 10 0 EEAEHO COCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001485922728 1193641179 /nfs/dbraw/zinc/64/11/79/1193641179.db2.gz PYLPOSPHHQGWOB-SJORKVTESA-N 1 3 347.503 2.111 10 0 EEAEHO CO[C@@H](C[N@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1)C1CCCC1 ZINC001409572031 1190053853 /nfs/dbraw/zinc/05/38/53/1190053853.db2.gz AHBWWQJLKBEUFK-RDJZCZTQSA-N 1 3 339.524 2.112 10 0 EEAEHO CO[C@@H](C[N@@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1)C1CCCC1 ZINC001409572031 1190053859 /nfs/dbraw/zinc/05/38/59/1190053859.db2.gz AHBWWQJLKBEUFK-RDJZCZTQSA-N 1 3 339.524 2.112 10 0 EEAEHO CO[C@@H](C[NH2+]C[C@H](C)NC(=O)C(C)(C)N1CCCC1)C1CCCC1 ZINC001483254279 1190282455 /nfs/dbraw/zinc/28/24/55/1190282455.db2.gz AZPFLFDYPYQUDU-RDJZCZTQSA-N 1 3 339.524 2.160 10 0 EEAEHO C[C@@H](C[NH2+]CCC1CCOCC1)NC(=O)c1cccc(CN(C)C)c1 ZINC001483296733 1190319254 /nfs/dbraw/zinc/31/92/54/1190319254.db2.gz QGJBLACUZXAZOJ-INIZCTEOSA-N 1 3 347.503 2.273 10 0 EEAEHO COCCCCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001486090455 1193678391 /nfs/dbraw/zinc/67/83/91/1193678391.db2.gz KNAODBLEUASLSY-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CN(CC(=O)N(C)CCC[NH2+]Cc1ccns1)CC(C)(C)C ZINC001483492613 1190509941 /nfs/dbraw/zinc/50/99/41/1190509941.db2.gz HPQBFQDQLUOTPN-UHFFFAOYSA-N 1 3 326.510 2.059 10 0 EEAEHO Cc1ccc(F)c(C[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001483607546 1190586254 /nfs/dbraw/zinc/58/62/54/1190586254.db2.gz MIHSRAHNVBWHSR-SFHVURJKSA-N 1 3 335.467 2.459 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001272563479 1190878655 /nfs/dbraw/zinc/87/86/55/1190878655.db2.gz CFKYAHAUKZHJTH-QAPCUYQASA-N 1 3 335.467 2.494 10 0 EEAEHO CC(C)OCCC[NH+]1CCC(C)(NC(=O)CN(C)C2CCC2)CC1 ZINC001483967433 1191135459 /nfs/dbraw/zinc/13/54/59/1191135459.db2.gz MQFZOVNZBHKKLJ-UHFFFAOYSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N(CCO)CC[NH2+]CCC(C)(C)C ZINC001484495483 1191383929 /nfs/dbraw/zinc/38/39/29/1191383929.db2.gz NLXMHLIPDXSSRE-KRWDZBQOSA-N 1 3 341.540 2.096 10 0 EEAEHO CN(C)C1(C(=O)NCC2([NH2+]CCOc3ccccc3)CCC2)CCC1 ZINC001484637909 1191454048 /nfs/dbraw/zinc/45/40/48/1191454048.db2.gz WKAGPFJCMWNSIP-UHFFFAOYSA-N 1 3 345.487 2.178 10 0 EEAEHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001485347315 1191749148 /nfs/dbraw/zinc/74/91/48/1191749148.db2.gz HEAAMPCMUWVOND-OLZOCXBDSA-N 1 3 327.419 2.414 10 0 EEAEHO Cc1cccc(Cl)c1CN1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001410117772 1197555632 /nfs/dbraw/zinc/55/56/32/1197555632.db2.gz HTZCGEQBTAAOHC-XGBSXSJOSA-N 1 3 349.906 2.394 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cncc(C)c1 ZINC001410501235 1198055863 /nfs/dbraw/zinc/05/58/63/1198055863.db2.gz GTKVDIJRCARLOK-WMZOPIPTSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1cccc(NC(=O)NC(=O)CN(C)CCCCCC[NH3+])c1C ZINC000872154831 1198061188 /nfs/dbraw/zinc/06/11/88/1198061188.db2.gz BVRTYDLIEBGMPZ-UHFFFAOYSA-N 1 3 334.464 2.402 10 0 EEAEHO CN1CCN(CC[NH2+]Cc2cnc3c(F)cccc3c2)CC1(C)C ZINC000865553053 1198273463 /nfs/dbraw/zinc/27/34/63/1198273463.db2.gz QUJVNXACHGYPMJ-UHFFFAOYSA-N 1 3 330.451 2.490 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000810174371 1199330897 /nfs/dbraw/zinc/33/08/97/1199330897.db2.gz SEVOBMKWYKWWSD-QAPCUYQASA-N 1 3 325.472 2.286 10 0 EEAEHO C[C@]12CN(CCCN3CCOCC3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880020846 1201350255 /nfs/dbraw/zinc/35/02/55/1201350255.db2.gz QWFDRQMZNXKRIR-LEWJYISDSA-N 1 3 343.515 2.163 10 0 EEAEHO C[C@]12CN(CCCN3CCOCC3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000880020846 1201350258 /nfs/dbraw/zinc/35/02/58/1201350258.db2.gz QWFDRQMZNXKRIR-LEWJYISDSA-N 1 3 343.515 2.163 10 0 EEAEHO C[NH+](C)C1(C)CCC(NC(=O)Nc2cnc3c(c2)CNCC3)CC1 ZINC000868167115 1201756464 /nfs/dbraw/zinc/75/64/64/1201756464.db2.gz MOYVJPOPGMPKJX-UHFFFAOYSA-N 1 3 331.464 2.112 10 0 EEAEHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)NCc1cccc(Cl)n1 ZINC001275480084 1205378753 /nfs/dbraw/zinc/37/87/53/1205378753.db2.gz FRGOGWTYNJQYGO-QWHCGFSZSA-N 1 3 338.883 2.060 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)CCN1C ZINC000925340019 1206099498 /nfs/dbraw/zinc/09/94/98/1206099498.db2.gz AWRMUDRYINQMBX-BHIYHBOVSA-N 1 3 344.503 2.037 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)CCN1C ZINC000925340019 1206099499 /nfs/dbraw/zinc/09/94/99/1206099499.db2.gz AWRMUDRYINQMBX-BHIYHBOVSA-N 1 3 344.503 2.037 10 0 EEAEHO CC1(C)C[C@@H](N[C@@H]2CCCN(Cc3ccccn3)C2=O)C[C@@H]([NH3+])C1 ZINC000925637713 1206138464 /nfs/dbraw/zinc/13/84/64/1206138464.db2.gz QGVXUHAREQTZPJ-HYVNUMGLSA-N 1 3 330.476 2.068 10 0 EEAEHO [NH3+][C@@H]1C[C@@H](NC[C@@H]2CSCCN2Cc2ccccc2)C12CCC2 ZINC000925650138 1206139888 /nfs/dbraw/zinc/13/98/88/1206139888.db2.gz MSMUZJHLVZVVJY-KZNAEPCWSA-N 1 3 331.529 2.464 10 0 EEAEHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CCN(C(=O)Nc3ccccc3)C1)[NH2+]2 ZINC000925664235 1206140932 /nfs/dbraw/zinc/14/09/32/1206140932.db2.gz DNVCSQMWACYUGA-DEORAPPZSA-N 1 3 328.460 2.411 10 0 EEAEHO O=C1O[C@@H](CN[C@@H]2CCCc3ccc(O)cc32)CC12CC[NH2+]CC2 ZINC000925848877 1206160229 /nfs/dbraw/zinc/16/02/29/1206160229.db2.gz FBFXDZCGCZKHMS-NVXWUHKLSA-N 1 3 330.428 2.045 10 0 EEAEHO CCc1nc2c(s1)[C@H](NC[C@@H]1CC3(CC[NH2+]CC3)C(=O)O1)CCC2 ZINC000925854375 1206161285 /nfs/dbraw/zinc/16/12/85/1206161285.db2.gz RKMOKNIDDSEBQR-QWHCGFSZSA-N 1 3 349.500 2.358 10 0 EEAEHO O=C1O[C@H](CN[C@@H]2CSCCc3ccccc32)CC12CC[NH2+]CC2 ZINC000925853767 1206161306 /nfs/dbraw/zinc/16/13/06/1206161306.db2.gz REOWOOZASWEUEW-DOTOQJQBSA-N 1 3 346.496 2.292 10 0 EEAEHO C[C@@H]1CN(CC(=O)N(C)Cc2ccc(Cl)s2)C[C@H]1CC[NH3+] ZINC000903496617 1240672383 /nfs/dbraw/zinc/67/23/83/1240672383.db2.gz VVPSPEBEJLGGMP-VXGBXAGGSA-N 1 3 329.897 2.277 10 0 EEAEHO c1cc2c(cc1[C@@H]1CCCN1C[C@H]1C[C@]3(CC[NH2+]C3)CO1)OCCO2 ZINC000903717984 1241707845 /nfs/dbraw/zinc/70/78/45/1241707845.db2.gz GTUREIGNFUMNRJ-UWVAXJGDSA-N 1 3 344.455 2.363 10 0 EEAEHO CC(C)c1nc(CCNCc2cnnn2[C@H]2CCC[NH2+]C2)cs1 ZINC000903924529 1242517991 /nfs/dbraw/zinc/51/79/91/1242517991.db2.gz FNRWVVCOGBLLHL-AWEZNQCLSA-N 1 3 334.493 2.115 10 0 EEAEHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CCc1ccc(Cl)cc1)N(C)C ZINC001491495705 1259145445 /nfs/dbraw/zinc/14/54/45/1259145445.db2.gz PRJXMUSTMGQBNO-CZUORRHYSA-N 1 3 325.884 2.317 10 0 EEAEHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@@H]1CCOC1)N(C)C ZINC001489322664 1290508487 /nfs/dbraw/zinc/50/84/87/1290508487.db2.gz LJHBZJRVZIMWHB-FGTMMUONSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC[C@@H]1CCOC1)N(C)C ZINC001489322664 1290508497 /nfs/dbraw/zinc/50/84/97/1290508497.db2.gz LJHBZJRVZIMWHB-FGTMMUONSA-N 1 3 339.524 2.066 10 0 EEAEHO Cn1cc([C@@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000842684181 1315753853 /nfs/dbraw/zinc/75/38/53/1315753853.db2.gz IRXFCVSIHBLBLO-OALUTQOASA-N 1 3 340.471 2.240 10 0 EEAEHO Cn1cc([C@@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000842684181 1315753859 /nfs/dbraw/zinc/75/38/59/1315753859.db2.gz IRXFCVSIHBLBLO-OALUTQOASA-N 1 3 340.471 2.240 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@H]3[NH3+])cc2)CC1 ZINC001261502804 1322116228 /nfs/dbraw/zinc/11/62/28/1322116228.db2.gz YWLONNLDRIRDON-ZWKOTPCHSA-N 1 3 330.476 2.285 10 0 EEAEHO COCCCCN1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001263816581 1322525165 /nfs/dbraw/zinc/52/51/65/1322525165.db2.gz FCSKDZPJPXTMDD-GOSISDBHSA-N 1 3 339.524 2.066 10 0 EEAEHO CCOCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001264742700 1322799570 /nfs/dbraw/zinc/79/95/70/1322799570.db2.gz CUNQFOUTLKKHTE-ROUUACIJSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001264742700 1322799573 /nfs/dbraw/zinc/79/95/73/1322799573.db2.gz CUNQFOUTLKKHTE-ROUUACIJSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCCCN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001265287880 1323038775 /nfs/dbraw/zinc/03/87/75/1323038775.db2.gz JKISLISGROXGQU-WMZOPIPTSA-N 1 3 337.508 2.011 10 0 EEAEHO CCOCCCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001265287880 1323038778 /nfs/dbraw/zinc/03/87/78/1323038778.db2.gz JKISLISGROXGQU-WMZOPIPTSA-N 1 3 337.508 2.011 10 0 EEAEHO CCCCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001265386751 1323114325 /nfs/dbraw/zinc/11/43/25/1323114325.db2.gz MEDQVUJGHTZQGC-ROUUACIJSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCCOCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001265386751 1323114329 /nfs/dbraw/zinc/11/43/29/1323114329.db2.gz MEDQVUJGHTZQGC-ROUUACIJSA-N 1 3 339.524 2.068 10 0 EEAEHO C[NH+]1CCC(CC(=O)N(CCNCCF)Cc2ccccc2)CC1 ZINC001279318442 1323872923 /nfs/dbraw/zinc/87/29/23/1323872923.db2.gz NFYQMJOPYXOOKR-UHFFFAOYSA-N 1 3 335.467 2.306 10 0 EEAEHO Cc1cc(CNCC[C@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)on1 ZINC001280083039 1324078608 /nfs/dbraw/zinc/07/86/08/1324078608.db2.gz GWBQUBPSPTXKSB-DLBZAZTESA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1cc(CNCC[C@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)on1 ZINC001280083039 1324078609 /nfs/dbraw/zinc/07/86/09/1324078609.db2.gz GWBQUBPSPTXKSB-DLBZAZTESA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ccncc1C[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001280198697 1324110828 /nfs/dbraw/zinc/11/08/28/1324110828.db2.gz VVJQHHDEAAQNIP-AEFFLSMTSA-N 1 3 344.503 2.060 10 0 EEAEHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1ccc(Cl)s1 ZINC001491640160 1330194256 /nfs/dbraw/zinc/19/42/56/1330194256.db2.gz ITSBSKSBKBRFHG-NSHDSACASA-N 1 3 327.881 2.092 10 0 EEAEHO Cc1cncc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCCN2C(C)C)c1 ZINC001491603443 1330200638 /nfs/dbraw/zinc/20/06/38/1330200638.db2.gz TZYQWRDSFSMGQL-AEFFLSMTSA-N 1 3 332.492 2.247 10 0 EEAEHO COc1ccc(C[NH2+][C@H](C)CNC(=O)CN(C)C(C)C)cc1Cl ZINC001491682300 1330204321 /nfs/dbraw/zinc/20/43/21/1330204321.db2.gz KHYRSWGPRRDFEB-CYBMUJFWSA-N 1 3 341.883 2.283 10 0 EEAEHO Cc1noc(C)c1C[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001491897294 1330294790 /nfs/dbraw/zinc/29/47/90/1330294790.db2.gz VEZIIZQSDACAFJ-CVEARBPZSA-N 1 3 336.480 2.149 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)C[C@@H]2CC(C)(C)CO2)C1 ZINC001491959310 1330353014 /nfs/dbraw/zinc/35/30/14/1330353014.db2.gz KZNINKRNYYGJQJ-IRXDYDNUSA-N 1 3 339.524 2.066 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)C[C@@H]2CC(C)(C)CO2)C1 ZINC001491959310 1330353018 /nfs/dbraw/zinc/35/30/18/1330353018.db2.gz KZNINKRNYYGJQJ-IRXDYDNUSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1cncc(CN(C)CCCNC(=O)CC[NH+]2CCCCC2)c1 ZINC001316871349 1331942041 /nfs/dbraw/zinc/94/20/41/1331942041.db2.gz WTPHYZVPGWYIKI-UHFFFAOYSA-N 1 3 332.492 2.204 10 0 EEAEHO CCOCCCN1CCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001317174036 1332113724 /nfs/dbraw/zinc/11/37/24/1332113724.db2.gz QAYDLHLRDOHXIZ-KRWDZBQOSA-N 1 3 337.508 2.012 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H](C[NH2+]CCC3CC3)C2)C1 ZINC001317339388 1332185837 /nfs/dbraw/zinc/18/58/37/1332185837.db2.gz SEICTZGARGPVOU-APWZRJJASA-N 1 3 339.499 2.437 10 0 EEAEHO Cc1ncc(CNC[C@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C2)o1 ZINC001317354593 1332191845 /nfs/dbraw/zinc/19/18/45/1332191845.db2.gz JKBBREMUOLFKCA-QGZVFWFLSA-N 1 3 348.491 2.187 10 0 EEAEHO CN(CC[NH2+]Cc1cccc(C(F)F)c1)C(=O)CN1CCCC1 ZINC001317662180 1332356643 /nfs/dbraw/zinc/35/66/43/1332356643.db2.gz VQVRBWONXFJTHQ-UHFFFAOYSA-N 1 3 325.403 2.268 10 0 EEAEHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1ccnc(Cl)c1 ZINC001318594328 1332565485 /nfs/dbraw/zinc/56/54/85/1332565485.db2.gz HFPPEOLQTRAINI-HUUCEWRRSA-N 1 3 338.883 2.061 10 0 EEAEHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1ccnc(Cl)c1 ZINC001318594328 1332565487 /nfs/dbraw/zinc/56/54/87/1332565487.db2.gz HFPPEOLQTRAINI-HUUCEWRRSA-N 1 3 338.883 2.061 10 0 EEAEHO Cc1ncoc1CNCC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001319775170 1332764789 /nfs/dbraw/zinc/76/47/89/1332764789.db2.gz QYPPEBLSVJDAMI-NVXWUHKLSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncoc1CNCC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001319775170 1332764791 /nfs/dbraw/zinc/76/47/91/1332764791.db2.gz QYPPEBLSVJDAMI-NVXWUHKLSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncoc1C[NH2+]CC[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001319775170 1332764794 /nfs/dbraw/zinc/76/47/94/1332764794.db2.gz QYPPEBLSVJDAMI-NVXWUHKLSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1nc(C)c(CNCC[C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)o1 ZINC001320451587 1332887298 /nfs/dbraw/zinc/88/72/98/1332887298.db2.gz YDGXFJLHZNOYHR-CJNGLKHVSA-N 1 3 336.480 2.150 10 0 EEAEHO Cc1nc(C)c(CNCC[C@@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)o1 ZINC001320451587 1332887301 /nfs/dbraw/zinc/88/73/01/1332887301.db2.gz YDGXFJLHZNOYHR-CJNGLKHVSA-N 1 3 336.480 2.150 10 0 EEAEHO CCN(CCNCc1cncc(C)c1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001320929567 1332981745 /nfs/dbraw/zinc/98/17/45/1332981745.db2.gz SAYHQEREXOMOCY-IRXDYDNUSA-N 1 3 332.492 2.201 10 0 EEAEHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCOC(C)C ZINC001323142641 1333395336 /nfs/dbraw/zinc/39/53/36/1333395336.db2.gz JJEJPPIHGSPKPQ-SJORKVTESA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)COCC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001328262659 1334430063 /nfs/dbraw/zinc/43/00/63/1334430063.db2.gz YPECRTYNJDONLK-SJORKVTESA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)COCC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001328262659 1334430065 /nfs/dbraw/zinc/43/00/65/1334430065.db2.gz YPECRTYNJDONLK-SJORKVTESA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCc1ccnc(Cl)c1 ZINC001331543518 1335034114 /nfs/dbraw/zinc/03/41/14/1335034114.db2.gz LEBJFLSCNQYAAC-ZDUSSCGKSA-N 1 3 338.883 2.013 10 0 EEAEHO COCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C(C)(C)C ZINC001332793222 1335908181 /nfs/dbraw/zinc/90/81/81/1335908181.db2.gz VWXZADQTJKPKPB-JKSUJKDBSA-N 1 3 327.513 2.016 10 0 EEAEHO CCOCC[NH2+]C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C(C)(C)C ZINC001332861434 1335920707 /nfs/dbraw/zinc/92/07/07/1335920707.db2.gz SCLUJOUDCFAWTN-IAGOWNOFSA-N 1 3 341.540 2.408 10 0 EEAEHO COCCC[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001480305587 1337980304 /nfs/dbraw/zinc/98/03/04/1337980304.db2.gz TVBJVMXPMRWDHU-SFHVURJKSA-N 1 3 347.503 2.227 10 0 EEAEHO C[N@@H+]1CCC[C@H](N2CCN(CC3([C@@H]4CCCCO4)CCC3)CC2)C1 ZINC001413968965 1338752653 /nfs/dbraw/zinc/75/26/53/1338752653.db2.gz XFYQKBGPPKKGGT-OALUTQOASA-N 1 3 335.536 2.438 10 0 EEAEHO C[N@H+]1CCC[C@H](N2CCN(CC3([C@@H]4CCCCO4)CCC3)CC2)C1 ZINC001413968965 1338752656 /nfs/dbraw/zinc/75/26/56/1338752656.db2.gz XFYQKBGPPKKGGT-OALUTQOASA-N 1 3 335.536 2.438 10 0 EEAEHO CCc1nocc1CN[C@H]1C[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001436380646 1342061660 /nfs/dbraw/zinc/06/16/60/1342061660.db2.gz UULLWGVBYQDYET-DJIMGWMZSA-N 1 3 348.491 2.096 10 0 EEAEHO CCc1nocc1CN[C@H]1C[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001436380646 1342061664 /nfs/dbraw/zinc/06/16/64/1342061664.db2.gz UULLWGVBYQDYET-DJIMGWMZSA-N 1 3 348.491 2.096 10 0 EEAEHO CN(C)C1(C(=O)N(C)CC[NH2+]C[C@@H]2CCCC(F)(F)C2)CCC1 ZINC001567507966 1342775159 /nfs/dbraw/zinc/77/51/59/1342775159.db2.gz NSEMYEHUAXOPKY-CQSZACIVSA-N 1 3 331.451 2.344 10 0 EEAEHO CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001569687136 1342923998 /nfs/dbraw/zinc/92/39/98/1342923998.db2.gz ODWCWMXYBPSPCX-IEBWSBKVSA-N 1 3 339.524 2.114 10 0 EEAEHO CN(CC(=O)N1CC[C@@H](CC[NH2+]Cc2cccnc2)C1)CC(C)(C)C ZINC001570006597 1342997182 /nfs/dbraw/zinc/99/71/82/1342997182.db2.gz QDDDWAMQPQQPFY-QGZVFWFLSA-N 1 3 346.519 2.388 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]C/C=C\Cl)CC2)CCC1 ZINC001570040425 1343003073 /nfs/dbraw/zinc/00/30/73/1343003073.db2.gz QLCKJWJYECMSMJ-LZCSDRCQSA-N 1 3 327.900 2.488 10 0 EEAEHO C[C@@H](NCc1cccc(Cl)n1)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001570626545 1343093754 /nfs/dbraw/zinc/09/37/54/1343093754.db2.gz FEXRMIWLUZQQMH-CHWSQXEVSA-N 1 3 326.872 2.060 10 0 EEAEHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCN(C)Cc3ccccc3)C[N@@H+]2C1 ZINC001646935689 1353057507 /nfs/dbraw/zinc/05/75/07/1353057507.db2.gz OGOLTXWJEXHPAN-QRQLOZEOSA-N 1 3 329.488 2.355 10 0 EEAEHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCN(C)Cc3ccccc3)C[N@H+]2C1 ZINC001646935689 1353057511 /nfs/dbraw/zinc/05/75/11/1353057511.db2.gz OGOLTXWJEXHPAN-QRQLOZEOSA-N 1 3 329.488 2.355 10 0 EEAEHO c1cc2c(c(-c3nc([C@@H]4CN5CCC4CC5)no3)c1)OCC[NH2+]C2 ZINC001647546149 1353320383 /nfs/dbraw/zinc/32/03/83/1353320383.db2.gz KJRYSLRPADJSKS-OAHLLOKOSA-N 1 3 326.400 2.028 10 0 EEAEHO Cc1ncccc1CN(C)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001660369194 1354450919 /nfs/dbraw/zinc/45/09/19/1354450919.db2.gz RKCFRJCUZOYDJZ-IEBWSBKVSA-N 1 3 346.519 2.449 10 0 EEAEHO CN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(F)c(Cl)c1 ZINC001660395184 1354456158 /nfs/dbraw/zinc/45/61/58/1354456158.db2.gz BJCRXDMUCSQBJO-AWEZNQCLSA-N 1 3 341.858 2.369 10 0 EEAEHO CN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(F)c(Cl)c1 ZINC001660395184 1354456159 /nfs/dbraw/zinc/45/61/59/1354456159.db2.gz BJCRXDMUCSQBJO-AWEZNQCLSA-N 1 3 341.858 2.369 10 0 EEAEHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cc(F)cc(F)c1 ZINC001660627578 1354504231 /nfs/dbraw/zinc/50/42/31/1354504231.db2.gz AFCVJXOMDPBDAK-OAHLLOKOSA-N 1 3 339.430 2.245 10 0 EEAEHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cc(F)cc(F)c1 ZINC001660627578 1354504235 /nfs/dbraw/zinc/50/42/35/1354504235.db2.gz AFCVJXOMDPBDAK-OAHLLOKOSA-N 1 3 339.430 2.245 10 0 EEAEHO CC(C)N(C)CC(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC001663124487 1354924105 /nfs/dbraw/zinc/92/41/05/1354924105.db2.gz XOEBYAPAZGHNHN-OAHLLOKOSA-N 1 3 338.521 2.344 10 0 EEAEHO CC(C)N(C)CC(=O)NCCC[C@@H]1CCC[N@H+]1Cc1cncs1 ZINC001663124487 1354924108 /nfs/dbraw/zinc/92/41/08/1354924108.db2.gz XOEBYAPAZGHNHN-OAHLLOKOSA-N 1 3 338.521 2.344 10 0 EEAEHO Cc1cc(CNCCN(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)sn1 ZINC001664036512 1355078848 /nfs/dbraw/zinc/07/88/48/1355078848.db2.gz JHUIWKIEVPTGGG-MRXNPFEDSA-N 1 3 338.521 2.120 10 0 EEAEHO Cc1cc(CNCCN(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)sn1 ZINC001664036512 1355078854 /nfs/dbraw/zinc/07/88/54/1355078854.db2.gz JHUIWKIEVPTGGG-MRXNPFEDSA-N 1 3 338.521 2.120 10 0 EEAEHO CC(C)Oc1ccccc1CNCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001664309175 1355135445 /nfs/dbraw/zinc/13/54/45/1355135445.db2.gz IHQVYQRFDTURBZ-KRWDZBQOSA-N 1 3 347.503 2.364 10 0 EEAEHO CC(C)Oc1ccccc1CNCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001664309175 1355135451 /nfs/dbraw/zinc/13/54/51/1355135451.db2.gz IHQVYQRFDTURBZ-KRWDZBQOSA-N 1 3 347.503 2.364 10 0 EEAEHO O=C(NC/C=C\CNCc1ccc(F)c(F)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC001668828224 1356015172 /nfs/dbraw/zinc/01/51/72/1356015172.db2.gz OGTGIQCIHJFAOS-STOZHHMFSA-N 1 3 349.425 2.069 10 0 EEAEHO COc1ccc(C[NH2+]C/C=C/CNC(=O)C2(N(C)C)CCC2)cc1F ZINC001668865495 1356028364 /nfs/dbraw/zinc/02/83/64/1356028364.db2.gz YQFTXQQFBQWHLF-SNAWJCMRSA-N 1 3 349.450 2.081 10 0 EEAEHO COc1cc(C[NH2+]CCCN(C)C(=O)CN2CC[C@H](C)C2)ccc1C ZINC001670246143 1356304026 /nfs/dbraw/zinc/30/40/26/1356304026.db2.gz PQAXRJNYAUHDPC-INIZCTEOSA-N 1 3 347.503 2.284 10 0 EEAEHO CCCCOCCN1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001671678168 1356392691 /nfs/dbraw/zinc/39/26/91/1356392691.db2.gz JBWDXGBNGQAWLS-IBGZPJMESA-N 1 3 339.524 2.116 10 0 EEAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CCOC2CCC2)CCC1 ZINC001673238236 1356656321 /nfs/dbraw/zinc/65/63/21/1356656321.db2.gz NYVWBHRBBHOHNK-HZPDHXFCSA-N 1 3 337.508 2.057 10 0 EEAEHO O=C(NC1(CNCCF)CCCCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001675185490 1356943445 /nfs/dbraw/zinc/94/34/45/1356943445.db2.gz XXMXAJJYNISRJX-JKSUJKDBSA-N 1 3 325.472 2.382 10 0 EEAEHO O=C(NC1(CNCCF)CCCCC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001675185490 1356943447 /nfs/dbraw/zinc/94/34/47/1356943447.db2.gz XXMXAJJYNISRJX-JKSUJKDBSA-N 1 3 325.472 2.382 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC[C@H]1CC1(Cl)Cl)N(C)C ZINC001699366206 1405342408 /nfs/dbraw/zinc/34/24/08/1405342408.db2.gz FGPSAIXUSQMLRC-AGIUHOORSA-N 1 3 338.323 2.251 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)cc2)CC1 ZINC000846674230 790366854 /nfs/dbraw/zinc/36/68/54/790366854.db2.gz KTUQPCDUAYXNBK-RBUKOAKNSA-N 1 3 342.487 2.298 10 0 EEAEHO C[NH+](C)CC[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)c1cccnc1 ZINC000923170660 789048619 /nfs/dbraw/zinc/04/86/19/789048619.db2.gz LFKGFJOTTZZFTB-DLBZAZTESA-N 1 3 347.507 2.246 10 0 EEAEHO CC(C)OCc1ccc(CNC(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923495924 789653374 /nfs/dbraw/zinc/65/33/74/789653374.db2.gz GEMRASWBQFXBEP-QFBILLFUSA-N 1 3 347.503 2.145 10 0 EEAEHO C[C@H]1[C@H](NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CCN1C ZINC000921617967 789933964 /nfs/dbraw/zinc/93/39/64/789933964.db2.gz UUUYIFPMUZOYEK-FCCDEINASA-N 1 3 336.524 2.421 10 0 EEAEHO C[N@H+](C[C@@H](O)CNCCc1sccc1Br)C1CC1 ZINC000713070625 794551928 /nfs/dbraw/zinc/55/19/28/794551928.db2.gz YSWTULYRVQLKKL-NSHDSACASA-N 1 3 333.295 2.098 10 0 EEAEHO C[N@@H+](C[C@@H](O)CNCCc1sccc1Br)C1CC1 ZINC000713070625 794551934 /nfs/dbraw/zinc/55/19/34/794551934.db2.gz YSWTULYRVQLKKL-NSHDSACASA-N 1 3 333.295 2.098 10 0 EEAEHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCN(C)[C@@H]2C)cc1 ZINC000913946046 794625773 /nfs/dbraw/zinc/62/57/73/794625773.db2.gz GADWXBOPXXGVGT-QAPCUYQASA-N 1 3 332.492 2.420 10 0 EEAEHO OCC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCOCC1 ZINC000716647150 796404495 /nfs/dbraw/zinc/40/44/95/796404495.db2.gz ABUVUMWVUXADFN-UFYCRDLUSA-N 1 3 344.499 2.418 10 0 EEAEHO CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)CCc1ccccc1Cl ZINC001437542778 1089998071 /nfs/dbraw/zinc/99/80/71/1089998071.db2.gz VAQIIPFSVPAQQH-OAHLLOKOSA-N 1 3 337.895 2.272 10 0 EEAEHO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CCc1ccccc1Cl ZINC001437542778 1089998081 /nfs/dbraw/zinc/99/80/81/1089998081.db2.gz VAQIIPFSVPAQQH-OAHLLOKOSA-N 1 3 337.895 2.272 10 0 EEAEHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cccc(N(C)C)c1 ZINC001438331225 1090805259 /nfs/dbraw/zinc/80/52/59/1090805259.db2.gz KNPIJPKANDHHHH-AEFFLSMTSA-N 1 3 346.519 2.079 10 0 EEAEHO CC(C)c1cccc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001439109417 1091754837 /nfs/dbraw/zinc/75/48/37/1091754837.db2.gz MTKJSHXOUUNFLP-BFYDXBDKSA-N 1 3 332.492 2.140 10 0 EEAEHO CC(C)c1cccc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001439109417 1091754841 /nfs/dbraw/zinc/75/48/41/1091754841.db2.gz MTKJSHXOUUNFLP-BFYDXBDKSA-N 1 3 332.492 2.140 10 0 EEAEHO C[C@@H](CN(C)CCOC1CCCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439405374 1092164940 /nfs/dbraw/zinc/16/49/40/1092164940.db2.gz GYOMSXMIHZRVOF-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H](CN(C)CCOC1CCCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439405374 1092164943 /nfs/dbraw/zinc/16/49/43/1092164943.db2.gz GYOMSXMIHZRVOF-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2ccc(COC)cc2)C1 ZINC001439857717 1092885508 /nfs/dbraw/zinc/88/55/08/1092885508.db2.gz XGKTYFRIWOQDEY-HXUWFJFHSA-N 1 3 347.503 2.255 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2ccc(COC)cc2)C1 ZINC001439857717 1092885512 /nfs/dbraw/zinc/88/55/12/1092885512.db2.gz XGKTYFRIWOQDEY-HXUWFJFHSA-N 1 3 347.503 2.255 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001440135220 1093201298 /nfs/dbraw/zinc/20/12/98/1093201298.db2.gz KLKMJKKQZCYVJF-DOTOQJQBSA-N 1 3 335.467 2.352 10 0 EEAEHO Cc1ncoc1CN1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001440399400 1093581495 /nfs/dbraw/zinc/58/14/95/1093581495.db2.gz YDGWGKVYOZTYQF-IRXDYDNUSA-N 1 3 348.491 2.328 10 0 EEAEHO Cc1ncoc1CN1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001440399400 1093581499 /nfs/dbraw/zinc/58/14/99/1093581499.db2.gz YDGWGKVYOZTYQF-IRXDYDNUSA-N 1 3 348.491 2.328 10 0 EEAEHO CC[C@@H](C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCCN2CC)CC1)OC ZINC001440612106 1093878566 /nfs/dbraw/zinc/87/85/66/1093878566.db2.gz AFRCUARZGRMTIM-DLBZAZTESA-N 1 3 339.524 2.257 10 0 EEAEHO CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2cnc(Cl)s2)C1)N(C)C ZINC001449399364 1094379614 /nfs/dbraw/zinc/37/96/14/1094379614.db2.gz GOVCADVHQZNEJN-GCZXYKMCSA-N 1 3 344.912 2.216 10 0 EEAEHO CCN(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C/C=C/Cl)C[C@H]21)c1ccccc1 ZINC001441728601 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1112488247 /nfs/dbraw/zinc/48/82/47/1112488247.db2.gz SXTOPMLGSUASEO-FGTMMUONSA-N 1 3 333.520 2.441 10 0 EEAEHO C[C@@H]1C[C@@H]([NH2+]CCOC2CCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001499837215 1112505614 /nfs/dbraw/zinc/50/56/14/1112505614.db2.gz ZMMMFJHNMFMCPQ-CVEARBPZSA-N 1 3 337.508 2.009 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccccc2F)C1 ZINC001501091314 1113195638 /nfs/dbraw/zinc/19/56/38/1113195638.db2.gz MSYVMAQUHKDFDH-DOTOQJQBSA-N 1 3 335.467 2.493 10 0 EEAEHO CCOCCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001505436781 1113970790 /nfs/dbraw/zinc/97/07/90/1113970790.db2.gz DXHDXZVRMAWWCE-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CCOCCN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001505436781 1113970793 /nfs/dbraw/zinc/97/07/93/1113970793.db2.gz DXHDXZVRMAWWCE-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001505760556 1114174850 /nfs/dbraw/zinc/17/48/50/1114174850.db2.gz MHDNBCCNQOKVSO-HZPDHXFCSA-N 1 3 334.508 2.076 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC001506001725 1114334107 /nfs/dbraw/zinc/33/41/07/1114334107.db2.gz HKSGCDCOWHXTGA-DLBZAZTESA-N 1 3 346.519 2.031 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC001506001725 1114334111 /nfs/dbraw/zinc/33/41/11/1114334111.db2.gz HKSGCDCOWHXTGA-DLBZAZTESA-N 1 3 346.519 2.031 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC001506001726 1114334328 /nfs/dbraw/zinc/33/43/28/1114334328.db2.gz HKSGCDCOWHXTGA-IAGOWNOFSA-N 1 3 346.519 2.031 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC001506001726 1114334330 /nfs/dbraw/zinc/33/43/30/1114334330.db2.gz HKSGCDCOWHXTGA-IAGOWNOFSA-N 1 3 346.519 2.031 10 0 EEAEHO Cc1ncccc1C[NH2+][C@H](CCN(C)C(=O)CN1CCCC1)C(C)C ZINC001506490414 1114646129 /nfs/dbraw/zinc/64/61/29/1114646129.db2.gz RUWFOIAUKGKRNS-LJQANCHMSA-N 1 3 346.519 2.449 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCc3ccc(C)cc3)C[C@H]21 ZINC001506825619 1114897654 /nfs/dbraw/zinc/89/76/54/1114897654.db2.gz LHCBROZNHDTOFV-OWZKRDHZSA-N 1 3 343.515 2.173 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCc3ccc(C)cc3)C[C@H]21 ZINC001506825619 1114897655 /nfs/dbraw/zinc/89/76/55/1114897655.db2.gz LHCBROZNHDTOFV-OWZKRDHZSA-N 1 3 343.515 2.173 10 0 EEAEHO C[C@@H]1[C@@H](NCc2cccnc2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001507299313 1115180610 /nfs/dbraw/zinc/18/06/10/1115180610.db2.gz VDXMNDGFDZEQTM-MJGOQNOKSA-N 1 3 344.503 2.427 10 0 EEAEHO CC(C)N(CCN(C)C[C@@H]1CCCCO1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507833595 1115355288 /nfs/dbraw/zinc/35/52/88/1115355288.db2.gz CHIATOXIYRUUMS-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(CCN(C)C[C@@H]1CCCCO1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507833595 1115355292 /nfs/dbraw/zinc/35/52/92/1115355292.db2.gz CHIATOXIYRUUMS-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCNCc2nc(C)cs2)CC[N@@H+]1C ZINC001568633366 1124648272 /nfs/dbraw/zinc/64/82/72/1124648272.db2.gz DGTRLKQFZIVTQO-AEGPPILISA-N 1 3 338.521 2.166 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCNCc2nc(C)cs2)CC[N@H+]1C ZINC001568633366 1124648275 /nfs/dbraw/zinc/64/82/75/1124648275.db2.gz DGTRLKQFZIVTQO-AEGPPILISA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001568866365 1124891235 /nfs/dbraw/zinc/89/12/35/1124891235.db2.gz SGHKADYVBYOYPG-WHLIDYPQSA-N 1 3 330.476 2.026 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568866365 1124891244 /nfs/dbraw/zinc/89/12/44/1124891244.db2.gz SGHKADYVBYOYPG-WHLIDYPQSA-N 1 3 330.476 2.026 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC[C@H]1CCc2ccccc21 ZINC001568898089 1124926931 /nfs/dbraw/zinc/92/69/31/1124926931.db2.gz IJWJXGVBSGBNJL-DYIICSRESA-N 1 3 341.499 2.463 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000247194871 282116357 /nfs/dbraw/zinc/11/63/57/282116357.db2.gz LLJRMXVCOPYFGU-RBUKOAKNSA-N 1 3 346.519 2.143 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247194871 282116358 /nfs/dbraw/zinc/11/63/58/282116358.db2.gz LLJRMXVCOPYFGU-RBUKOAKNSA-N 1 3 346.519 2.143 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000103309145 219289034 /nfs/dbraw/zinc/28/90/34/219289034.db2.gz CCLWYDNEVUNIGN-IBGZPJMESA-N 1 3 346.519 2.190 10 0 EEAEHO O=C(Nc1ccc2c(c1F)CCNC2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000415963621 295945216 /nfs/dbraw/zinc/94/52/16/295945216.db2.gz VWSYABAGGNSCNS-AWEZNQCLSA-N 1 3 346.450 2.421 10 0 EEAEHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000439213653 242072316 /nfs/dbraw/zinc/07/23/16/242072316.db2.gz MDZSKZJJNODPEF-NUJGCVRESA-N 1 3 339.524 2.159 10 0 EEAEHO CN(CCC[NH+]1CCN(C)CC1)Cc1cncn1Cc1ccccc1 ZINC000445813946 242133709 /nfs/dbraw/zinc/13/37/09/242133709.db2.gz PJARQJPUENQHSY-UHFFFAOYSA-N 1 3 341.503 2.001 10 0 EEAEHO CC(C)[NH2+]C1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000111835493 220203110 /nfs/dbraw/zinc/20/31/10/220203110.db2.gz NUQVEYJWAHVWAH-LJQANCHMSA-N 1 3 346.519 2.331 10 0 EEAEHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000111835491 220203175 /nfs/dbraw/zinc/20/31/75/220203175.db2.gz NUQVEYJWAHVWAH-IBGZPJMESA-N 1 3 346.519 2.331 10 0 EEAEHO CN(CCc1cccc(F)c1F)CCN(C)C1CC[NH+](C)CC1 ZINC000343719457 161161694 /nfs/dbraw/zinc/16/16/94/161161694.db2.gz DEAPECGVEMOHPC-UHFFFAOYSA-N 1 3 325.447 2.465 10 0 EEAEHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000352442886 162136753 /nfs/dbraw/zinc/13/67/53/162136753.db2.gz ZAEJZTSQLIMYLK-UONOGXRCSA-N 1 3 335.414 2.251 10 0 EEAEHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000352442886 162136755 /nfs/dbraw/zinc/13/67/55/162136755.db2.gz ZAEJZTSQLIMYLK-UONOGXRCSA-N 1 3 335.414 2.251 10 0 EEAEHO CCC[NH+]1CCC(CNC(=O)N2CCCC23CCN(C)CC3)CC1 ZINC000352511284 162165880 /nfs/dbraw/zinc/16/58/80/162165880.db2.gz LDTNJLNEWKBMHF-UHFFFAOYSA-N 1 3 336.524 2.378 10 0 EEAEHO CN1CCC(Oc2ccc(C[NH2+][C@H]3CCC(=O)NC3(C)C)cc2)CC1 ZINC000495017168 276888754 /nfs/dbraw/zinc/88/87/54/276888754.db2.gz JXPMRUOEJVSBJO-SFHVURJKSA-N 1 3 345.487 2.306 10 0 EEAEHO O=C(Nc1ccc2c(c1F)CCNC2)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000415954958 280029643 /nfs/dbraw/zinc/02/96/43/280029643.db2.gz LJUZBUCWUKTRDB-KBPBESRZSA-N 1 3 332.423 2.220 10 0 EEAEHO O=C(Nc1ccc2c(c1F)CCNC2)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000415954958 280029644 /nfs/dbraw/zinc/02/96/44/280029644.db2.gz LJUZBUCWUKTRDB-KBPBESRZSA-N 1 3 332.423 2.220 10 0 EEAEHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H](N3CC=CC3)C2)[NH+](C)C)cc1 ZINC000174383956 280944314 /nfs/dbraw/zinc/94/43/14/280944314.db2.gz YXWHTPBYLFGXBS-RBUKOAKNSA-N 1 3 342.487 2.253 10 0 EEAEHO C[NH+](C)[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000170861270 289382748 /nfs/dbraw/zinc/38/27/48/289382748.db2.gz JKVPRUVIBJZQGS-ZWKOTPCHSA-N 1 3 330.476 2.169 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@H]1c1ccccc1 ZINC000333782649 312196622 /nfs/dbraw/zinc/19/66/22/312196622.db2.gz LBXRMUBTAPUNOB-IEWDOMPSSA-N 1 3 342.487 2.119 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)N(C)C)cc1 ZINC000416850228 313335956 /nfs/dbraw/zinc/33/59/56/313335956.db2.gz ZFSKEEJHXIJBCK-FHWLQOOXSA-N 1 3 344.503 2.245 10 0 EEAEHO CCc1ccccc1[C@@H](N)CNC(=O)NCCC[NH+]1CCCCC1 ZINC000416877953 313345336 /nfs/dbraw/zinc/34/53/36/313345336.db2.gz DDKPQBCXMOEWDN-SFHVURJKSA-N 1 3 332.492 2.424 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418501850 313831291 /nfs/dbraw/zinc/83/12/91/313831291.db2.gz SVDOAWWQJOACBB-JEBQAFNWSA-N 1 3 326.444 2.137 10 0 EEAEHO c1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c2c(c1)OCCCO2 ZINC000530248329 317704143 /nfs/dbraw/zinc/70/41/43/317704143.db2.gz IZUCKQKTSMBCAB-SFHVURJKSA-N 1 3 346.471 2.438 10 0 EEAEHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1CNCc2ccccc21 ZINC000581193465 324204345 /nfs/dbraw/zinc/20/43/45/324204345.db2.gz NKJPICUIMWSJCU-INIZCTEOSA-N 1 3 325.387 2.297 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000581250028 324215054 /nfs/dbraw/zinc/21/50/54/324215054.db2.gz XPWGRVOQYXVHMN-QFBILLFUSA-N 1 3 344.503 2.375 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000581250028 324215057 /nfs/dbraw/zinc/21/50/57/324215057.db2.gz XPWGRVOQYXVHMN-QFBILLFUSA-N 1 3 344.503 2.375 10 0 EEAEHO CC[N@@H+]1CC[C@@H](N(C)CCc2c(C)nc3ccccn3c2=O)C[C@H]1C ZINC000351518174 465197821 /nfs/dbraw/zinc/19/78/21/465197821.db2.gz LMIHCQCQQRNALC-NVXWUHKLSA-N 1 3 342.487 2.350 10 0 EEAEHO CC[N@H+]1CC[C@@H](N(C)CCc2c(C)nc3ccccn3c2=O)C[C@H]1C ZINC000351518174 465197827 /nfs/dbraw/zinc/19/78/27/465197827.db2.gz LMIHCQCQQRNALC-NVXWUHKLSA-N 1 3 342.487 2.350 10 0 EEAEHO CC1CC[NH+](CCNC(=O)N[C@H](CN(C)C)c2ccccc2)CC1 ZINC000048215970 462874473 /nfs/dbraw/zinc/87/44/73/462874473.db2.gz XBBZQAFAGNYVFJ-GOSISDBHSA-N 1 3 332.492 2.320 10 0 EEAEHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000052522937 463086395 /nfs/dbraw/zinc/08/63/95/463086395.db2.gz RKTMKLMTVRMDNI-IBGZPJMESA-N 1 3 344.503 2.353 10 0 EEAEHO Cc1nn(CC(C)C)c(Cl)c1CNCC1CC[NH+](CCO)CC1 ZINC000069415289 463241789 /nfs/dbraw/zinc/24/17/89/463241789.db2.gz OCKZNWCRWCBBRN-UHFFFAOYSA-N 1 3 342.915 2.295 10 0 EEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000073722878 463647909 /nfs/dbraw/zinc/64/79/09/463647909.db2.gz BMJHJFBXDFRLNY-DLBZAZTESA-N 1 3 326.529 2.479 10 0 EEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000073722878 463647915 /nfs/dbraw/zinc/64/79/15/463647915.db2.gz BMJHJFBXDFRLNY-DLBZAZTESA-N 1 3 326.529 2.479 10 0 EEAEHO O[C@@H]1C[NH2+]C[C@@H]1CNCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000262176269 463966267 /nfs/dbraw/zinc/96/62/67/463966267.db2.gz VWXMFLYASNKHLY-HNAYVOBHSA-N 1 3 332.394 2.267 10 0 EEAEHO Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292253107 464174366 /nfs/dbraw/zinc/17/43/66/464174366.db2.gz XWHGWJSRHRUOCX-YJBOKZPZSA-N 1 3 338.879 2.416 10 0 EEAEHO Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292253107 464174369 /nfs/dbraw/zinc/17/43/69/464174369.db2.gz XWHGWJSRHRUOCX-YJBOKZPZSA-N 1 3 338.879 2.416 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@H+](CC)C3)cc2)CC1 ZINC000175607671 464585707 /nfs/dbraw/zinc/58/57/07/464585707.db2.gz FIEPNXGFHGFIAB-GOSISDBHSA-N 1 3 344.503 2.043 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@@H+](CC)C3)cc2)CC1 ZINC000175607671 464585714 /nfs/dbraw/zinc/58/57/14/464585714.db2.gz FIEPNXGFHGFIAB-GOSISDBHSA-N 1 3 344.503 2.043 10 0 EEAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000247500513 464686651 /nfs/dbraw/zinc/68/66/51/464686651.db2.gz UZRNFZZPOYIKCX-BHIYHBOVSA-N 1 3 344.503 2.037 10 0 EEAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000247500513 464686656 /nfs/dbraw/zinc/68/66/56/464686656.db2.gz UZRNFZZPOYIKCX-BHIYHBOVSA-N 1 3 344.503 2.037 10 0 EEAEHO CC1(C)OCC[C@@H]1NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000295259077 464765308 /nfs/dbraw/zinc/76/53/08/464765308.db2.gz RFPDNUZFXLYBPV-SFHVURJKSA-N 1 3 345.487 2.056 10 0 EEAEHO CN1CCC[C@H]1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000352358976 465518654 /nfs/dbraw/zinc/51/86/54/465518654.db2.gz AOWQDFLHNOTEEH-RUXDESIVSA-N 1 3 333.398 2.002 10 0 EEAEHO O=C(NC[C@H]1CCCCN1C1CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000366347618 465669623 /nfs/dbraw/zinc/66/96/23/465669623.db2.gz UDTGSWGKRGFLNQ-IIIMJFFVSA-N 1 3 334.508 2.319 10 0 EEAEHO C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000353637360 466029377 /nfs/dbraw/zinc/02/93/77/466029377.db2.gz KXZYLTVRDNNCQP-IIAWOOMASA-N 1 3 338.521 2.380 10 0 EEAEHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000349661252 466179052 /nfs/dbraw/zinc/17/90/52/466179052.db2.gz HNPMUQZBNSGUKU-AEFFLSMTSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000349661252 466179060 /nfs/dbraw/zinc/17/90/60/466179060.db2.gz HNPMUQZBNSGUKU-AEFFLSMTSA-N 1 3 336.524 2.377 10 0 EEAEHO CN(C(=O)NCCC[N@H+](C)Cc1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000349740995 466216676 /nfs/dbraw/zinc/21/66/76/466216676.db2.gz BQCWKAXIPGLQCM-LJQANCHMSA-N 1 3 344.503 2.387 10 0 EEAEHO CN(C(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000349740995 466216682 /nfs/dbraw/zinc/21/66/82/466216682.db2.gz BQCWKAXIPGLQCM-LJQANCHMSA-N 1 3 344.503 2.387 10 0 EEAEHO COc1cccc(N2CCC[C@H](N[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])C2)c1 ZINC000422771759 466682836 /nfs/dbraw/zinc/68/28/36/466682836.db2.gz YNTJLBIAZNBEHZ-LVFSCSRESA-N 1 3 333.476 2.006 10 0 EEAEHO COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H](C)N)C2)c1 ZINC000422771759 466682839 /nfs/dbraw/zinc/68/28/39/466682839.db2.gz YNTJLBIAZNBEHZ-LVFSCSRESA-N 1 3 333.476 2.006 10 0 EEAEHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000376195659 466897554 /nfs/dbraw/zinc/89/75/54/466897554.db2.gz MVDFYHMYKKSFES-BXEXHWSDSA-N 1 3 334.508 2.270 10 0 EEAEHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000376195659 466897559 /nfs/dbraw/zinc/89/75/59/466897559.db2.gz MVDFYHMYKKSFES-BXEXHWSDSA-N 1 3 334.508 2.270 10 0 EEAEHO C[C@@H]1CC2(CN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1)CC[NH2+]CC2 ZINC000424291382 467023760 /nfs/dbraw/zinc/02/37/60/467023760.db2.gz NTABCXQVKVANJJ-ZIAGYGMSSA-N 1 3 347.425 2.251 10 0 EEAEHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000414690240 467429424 /nfs/dbraw/zinc/42/94/24/467429424.db2.gz HLYSPYIRNIBPLJ-GOEBONIOSA-N 1 3 335.879 2.327 10 0 EEAEHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000414690240 467429429 /nfs/dbraw/zinc/42/94/29/467429429.db2.gz HLYSPYIRNIBPLJ-GOEBONIOSA-N 1 3 335.879 2.327 10 0 EEAEHO C[C@@H](NC(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@H](C)[NH3+] ZINC000415065745 467479057 /nfs/dbraw/zinc/47/90/57/467479057.db2.gz HNGGZTHTOUJVSL-UONOGXRCSA-N 1 3 336.505 2.135 10 0 EEAEHO C[C@H](Cn1cncn1)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449098997 467618050 /nfs/dbraw/zinc/61/80/50/467618050.db2.gz LVCXIOJOJUJWHQ-SJORKVTESA-N 1 3 327.476 2.352 10 0 EEAEHO C[C@@H](CNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)[NH+](C)C ZINC000455436896 467682335 /nfs/dbraw/zinc/68/23/35/467682335.db2.gz VEYTYOVPCCJIHQ-OFQRWUPVSA-N 1 3 338.521 2.380 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000516749677 468044921 /nfs/dbraw/zinc/04/49/21/468044921.db2.gz IXFPNUVIZKLIRB-AHCXZYCDSA-N 1 3 330.476 2.119 10 0 EEAEHO CN(Cc1ccccc1)C[C@H](O)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594205334 468512174 /nfs/dbraw/zinc/51/21/74/468512174.db2.gz RJUKUPNPSWJIBC-PMACEKPBSA-N 1 3 331.504 2.040 10 0 EEAEHO O[C@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)CC1CCCC1 ZINC000571198212 468754257 /nfs/dbraw/zinc/75/42/57/468754257.db2.gz HSRCSVLIZJVCJQ-FQEVSTJZSA-N 1 3 346.519 2.125 10 0 EEAEHO C[C@]1(CNC(=O)NCC2=CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000584770437 468932614 /nfs/dbraw/zinc/93/26/14/468932614.db2.gz RMADKNLZWSMYJF-HXUWFJFHSA-N 1 3 342.487 2.260 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000572494988 468941573 /nfs/dbraw/zinc/94/15/73/468941573.db2.gz BUUJGFMAVJJTOO-QZTJIDSGSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000572494988 468941577 /nfs/dbraw/zinc/94/15/77/468941577.db2.gz BUUJGFMAVJJTOO-QZTJIDSGSA-N 1 3 329.488 2.451 10 0 EEAEHO COC(=O)CC1(NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000593662987 469083270 /nfs/dbraw/zinc/08/32/70/469083270.db2.gz KVSHNKWJJYTDOX-UHFFFAOYSA-N 1 3 332.444 2.347 10 0 EEAEHO CC(C)([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1nc2ccccc2s1 ZINC000629650656 469598716 /nfs/dbraw/zinc/59/87/16/469598716.db2.gz ZLPDZQAPNZVXMG-ZDUSSCGKSA-N 1 3 346.500 2.318 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCc2ccccc2C1 ZINC000617502304 469699250 /nfs/dbraw/zinc/69/92/50/469699250.db2.gz KWOVIIVXZHXPON-LPHOPBHVSA-N 1 3 331.504 2.180 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCc2ccccc2C1 ZINC000617502304 469699254 /nfs/dbraw/zinc/69/92/54/469699254.db2.gz KWOVIIVXZHXPON-LPHOPBHVSA-N 1 3 331.504 2.180 10 0 EEAEHO CC(C)Oc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000617503452 469700759 /nfs/dbraw/zinc/70/07/59/469700759.db2.gz JXEUWBMJDUAXTR-INIZCTEOSA-N 1 3 335.492 2.476 10 0 EEAEHO CC(C)Oc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000617503452 469700761 /nfs/dbraw/zinc/70/07/61/469700761.db2.gz JXEUWBMJDUAXTR-INIZCTEOSA-N 1 3 335.492 2.476 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccoc1C(F)(F)F ZINC000617507624 469705089 /nfs/dbraw/zinc/70/50/89/469705089.db2.gz CRVDWGLCFDMCQW-NSHDSACASA-N 1 3 335.370 2.300 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccoc1C(F)(F)F ZINC000617507624 469705093 /nfs/dbraw/zinc/70/50/93/469705093.db2.gz CRVDWGLCFDMCQW-NSHDSACASA-N 1 3 335.370 2.300 10 0 EEAEHO CCN(C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000617551055 469723345 /nfs/dbraw/zinc/72/33/45/469723345.db2.gz KDZYLIKDSYREAU-UXHICEINSA-N 1 3 343.515 2.494 10 0 EEAEHO CCN(C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000617551055 469723350 /nfs/dbraw/zinc/72/33/50/469723350.db2.gz KDZYLIKDSYREAU-UXHICEINSA-N 1 3 343.515 2.494 10 0 EEAEHO C[C@H]1CC[C@@H](NC(=O)NC2CCN(Cc3ccccc3)CC2)C[NH2+]1 ZINC000626917643 469753539 /nfs/dbraw/zinc/75/35/39/469753539.db2.gz DQOPOOWSSPPRKM-MAUKXSAKSA-N 1 3 330.476 2.091 10 0 EEAEHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)N(C)C)cc1 ZINC000627044531 469800948 /nfs/dbraw/zinc/80/09/48/469800948.db2.gz ABTLPCGYNYSGLB-MAZHCROVSA-N 1 3 336.505 2.061 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)C[NH2+]1 ZINC000627209752 469845797 /nfs/dbraw/zinc/84/57/97/469845797.db2.gz INNVANKRWAPEOC-BHIYHBOVSA-N 1 3 344.503 2.085 10 0 EEAEHO CN1CCC[C@@H](NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)C1 ZINC000620666613 469888509 /nfs/dbraw/zinc/88/85/09/469888509.db2.gz VNGIBXMKUXCGFX-LJQANCHMSA-N 1 3 346.519 2.287 10 0 EEAEHO Cc1cc(NC(=O)NC2(C[NH3+])CCCCC2)n(C2CCN(C)CC2)n1 ZINC000632919638 470287408 /nfs/dbraw/zinc/28/74/08/470287408.db2.gz FRSXVDBFFXZBEG-UHFFFAOYSA-N 1 3 348.495 2.241 10 0 EEAEHO CCCN(C(=O)CC[N@@H+]1CCc2ccccc2C1)[C@H]1CCN(C)C1 ZINC000648997312 470421648 /nfs/dbraw/zinc/42/16/48/470421648.db2.gz MUFBEYCLJLYTFS-IBGZPJMESA-N 1 3 329.488 2.378 10 0 EEAEHO CCCN(C(=O)CC[N@H+]1CCc2ccccc2C1)[C@H]1CCN(C)C1 ZINC000648997312 470421652 /nfs/dbraw/zinc/42/16/52/470421652.db2.gz MUFBEYCLJLYTFS-IBGZPJMESA-N 1 3 329.488 2.378 10 0 EEAEHO CCN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000649305975 470537697 /nfs/dbraw/zinc/53/76/97/470537697.db2.gz RHFBLKBDJCHBQW-IKLKHMQRSA-N 1 3 327.472 2.136 10 0 EEAEHO c1nc(C2CC2)ncc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657537825 471164423 /nfs/dbraw/zinc/16/44/23/471164423.db2.gz UKYPKDNRKRIQJO-UHFFFAOYSA-N 1 3 330.476 2.335 10 0 EEAEHO C[C@@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)CC(F)F ZINC000645205024 471174778 /nfs/dbraw/zinc/17/47/78/471174778.db2.gz JIYJCHMHSWUWBS-CYBMUJFWSA-N 1 3 346.466 2.136 10 0 EEAEHO C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000652285149 471266927 /nfs/dbraw/zinc/26/69/27/471266927.db2.gz NTIYSGYTDDKOSF-GOSISDBHSA-N 1 3 330.476 2.176 10 0 EEAEHO C[C@@H](CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C[NH+]1CCCC1 ZINC000659033743 471476313 /nfs/dbraw/zinc/47/63/13/471476313.db2.gz XYFBMHLQLMBVJZ-MAUKXSAKSA-N 1 3 346.475 2.201 10 0 EEAEHO CC1(OCC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CNC1 ZINC000653253006 471553576 /nfs/dbraw/zinc/55/35/76/471553576.db2.gz CDKQFKUCZFUKLU-UHFFFAOYSA-N 1 3 349.500 2.192 10 0 EEAEHO CC[NH+](CC)CCN(CCOC)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659293605 471570895 /nfs/dbraw/zinc/57/08/95/471570895.db2.gz WPSCAZRSIPCTSS-SFHVURJKSA-N 1 3 333.476 2.038 10 0 EEAEHO Cc1cnc([C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000664333864 471722514 /nfs/dbraw/zinc/72/25/14/471722514.db2.gz DAGUOMQTIREZFU-GXTWGEPZSA-N 1 3 341.525 2.084 10 0 EEAEHO Cc1cnc([C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000664333864 471722518 /nfs/dbraw/zinc/72/25/18/471722518.db2.gz DAGUOMQTIREZFU-GXTWGEPZSA-N 1 3 341.525 2.084 10 0 EEAEHO CCN1CCC(NC(=O)C[NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000653867995 471763396 /nfs/dbraw/zinc/76/33/96/471763396.db2.gz MECIHGUNVYMKTL-ZDUSSCGKSA-N 1 3 331.451 2.391 10 0 EEAEHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@@]1(O)CCCOC1 ZINC000660166788 471889027 /nfs/dbraw/zinc/88/90/27/471889027.db2.gz UWQCRVZWKRJQPD-IBGZPJMESA-N 1 3 333.476 2.161 10 0 EEAEHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@@]1(O)CCCOC1 ZINC000660166788 471889032 /nfs/dbraw/zinc/88/90/32/471889032.db2.gz UWQCRVZWKRJQPD-IBGZPJMESA-N 1 3 333.476 2.161 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000654351893 471923777 /nfs/dbraw/zinc/92/37/77/471923777.db2.gz RZWRMQXUGMWUSP-NZSAHSFTSA-N 1 3 346.519 2.491 10 0 EEAEHO O[C@@H]1CCN(Cc2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000665240331 471977365 /nfs/dbraw/zinc/97/73/65/471977365.db2.gz IMRJXOGOIBYVKK-IVAOSVALSA-N 1 3 343.515 2.264 10 0 EEAEHO c1ccc2c(c1)CCN2CC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662260792 472047537 /nfs/dbraw/zinc/04/75/37/472047537.db2.gz QFXAZYKYQNOWRL-LJQANCHMSA-N 1 3 341.499 2.282 10 0 EEAEHO COCC1([NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)CCCCC1 ZINC000662340330 472077546 /nfs/dbraw/zinc/07/75/46/472077546.db2.gz UTYBIZANZQFYBS-GOSISDBHSA-N 1 3 347.503 2.344 10 0 EEAEHO NC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000663002783 472324017 /nfs/dbraw/zinc/32/40/17/472324017.db2.gz IXMWZCSBNIOEAE-YJBOKZPZSA-N 1 3 333.451 2.106 10 0 EEAEHO NC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000663002783 472324020 /nfs/dbraw/zinc/32/40/20/472324020.db2.gz IXMWZCSBNIOEAE-YJBOKZPZSA-N 1 3 333.451 2.106 10 0 EEAEHO Cc1ccc(CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000665636922 485612153 /nfs/dbraw/zinc/61/21/53/485612153.db2.gz NXXUFWPDYWXJNS-KRWDZBQOSA-N 1 3 334.508 2.408 10 0 EEAEHO Cc1ccc(CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000665636922 485612160 /nfs/dbraw/zinc/61/21/60/485612160.db2.gz NXXUFWPDYWXJNS-KRWDZBQOSA-N 1 3 334.508 2.408 10 0 EEAEHO CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CCCN(C)C3)CC2)CC1 ZINC000677008618 486362265 /nfs/dbraw/zinc/36/22/65/486362265.db2.gz KZPZVXDUTUTOAO-ADKAHSJRSA-N 1 3 336.524 2.423 10 0 EEAEHO CC[NH2+]Cc1ccccc1NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000415930498 528354561 /nfs/dbraw/zinc/35/45/61/528354561.db2.gz KMYLAEHBRSMVKH-MRXNPFEDSA-N 1 3 348.491 2.419 10 0 EEAEHO CC[NH+]1CCC(N(C)C(=O)CCN2CCc3ccccc3C2)CC1 ZINC000416149014 528969511 /nfs/dbraw/zinc/96/95/11/528969511.db2.gz VTMBXPFXFLULMM-UHFFFAOYSA-N 1 3 329.488 2.378 10 0 EEAEHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000187479941 528989119 /nfs/dbraw/zinc/98/91/19/528989119.db2.gz ACCZTOZDAFUZRZ-OALUTQOASA-N 1 3 346.519 2.489 10 0 EEAEHO COC[C@@H](CCC[NH3+])NCc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000423075547 536596755 /nfs/dbraw/zinc/59/67/55/536596755.db2.gz XHURZGJOFHEPGI-OAHLLOKOSA-N 1 3 337.855 2.073 10 0 EEAEHO CC1(CNCc2ccc(OCC[NH+]3CCCC3)cc2)OCCCO1 ZINC000752925096 577778377 /nfs/dbraw/zinc/77/83/77/577778377.db2.gz SQKRCXYFBWTYTM-UHFFFAOYSA-N 1 3 334.460 2.404 10 0 EEAEHO COC1(OC)CC[C@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000924794963 694295548 /nfs/dbraw/zinc/29/55/48/694295548.db2.gz JYUUWYBARGLDNM-LJQANCHMSA-N 1 3 347.503 2.330 10 0 EEAEHO C[C@H]1[C@@H](NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)CCN1C ZINC000925326256 692473289 /nfs/dbraw/zinc/47/32/89/692473289.db2.gz PZABIVKAFCLYSV-HKUYNNGSSA-N 1 3 346.519 2.285 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccc(-c3nc(C4(N)CC4)no3)cc2)C[C@H](C)O1 ZINC000905318997 694601165 /nfs/dbraw/zinc/60/11/65/694601165.db2.gz KNYQLIIKRNFZSC-BETUJISGSA-N 1 3 328.416 2.294 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2ccc(-c3nc(C4(N)CC4)no3)cc2)C[C@H](C)O1 ZINC000905318997 694601171 /nfs/dbraw/zinc/60/11/71/694601171.db2.gz KNYQLIIKRNFZSC-BETUJISGSA-N 1 3 328.416 2.294 10 0 EEAEHO C[C@@H](F)CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001485503402 1191818079 /nfs/dbraw/zinc/81/80/79/1191818079.db2.gz MKZXQRAXIDHIHT-CABCVRRESA-N 1 3 327.488 2.436 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@@H]1CN(CCCF)CC1(C)C)[NH+]1CCCC1 ZINC001485588509 1191858623 /nfs/dbraw/zinc/85/86/23/1191858623.db2.gz ZHPODYJDMFOUPK-HZPDHXFCSA-N 1 3 327.488 2.293 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCF)CC1(C)C)N1CCCC1 ZINC001485588509 1191858624 /nfs/dbraw/zinc/85/86/24/1191858624.db2.gz ZHPODYJDMFOUPK-HZPDHXFCSA-N 1 3 327.488 2.293 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCF)CC1(C)C)N1CCCC1 ZINC001485588509 1191858625 /nfs/dbraw/zinc/85/86/25/1191858625.db2.gz ZHPODYJDMFOUPK-HZPDHXFCSA-N 1 3 327.488 2.293 10 0 EEAEHO C[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)N1CCCCCC1 ZINC001485621047 1191859969 /nfs/dbraw/zinc/85/99/69/1191859969.db2.gz RNZBJBSGDACQFT-OWYHZJEWSA-N 1 3 333.520 2.345 10 0 EEAEHO C[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21)N1CCCCCC1 ZINC001485621047 1191859970 /nfs/dbraw/zinc/85/99/70/1191859970.db2.gz RNZBJBSGDACQFT-OWYHZJEWSA-N 1 3 333.520 2.345 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](CNCc1ccccn1)C1CC1 ZINC001485813126 1191977388 /nfs/dbraw/zinc/97/73/88/1191977388.db2.gz GDMHJNPRPFPHIC-OALUTQOASA-N 1 3 344.503 2.283 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](CNCc1ccccn1)C1CC1 ZINC001485813126 1191977391 /nfs/dbraw/zinc/97/73/91/1191977391.db2.gz GDMHJNPRPFPHIC-OALUTQOASA-N 1 3 344.503 2.283 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+]CCc2ccccc2F)C1 ZINC001266812133 1177471230 /nfs/dbraw/zinc/47/12/30/1177471230.db2.gz ZACSBOPKZSOPHD-HNNXBMFYSA-N 1 3 344.434 2.162 10 0 EEAEHO COCCCC[NH2+][C@@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001267185803 1178449791 /nfs/dbraw/zinc/44/97/91/1178449791.db2.gz SRCQZCKEHTUIRD-INIZCTEOSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)CC[NH2+]CC[C@@H]1CC1(Cl)Cl)N(C)C ZINC001691465472 1178895671 /nfs/dbraw/zinc/89/56/71/1178895671.db2.gz VUXYBDAJDGTDIU-CHWSQXEVSA-N 1 3 338.323 2.205 10 0 EEAEHO COCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001268178613 1181961199 /nfs/dbraw/zinc/96/11/99/1181961199.db2.gz GCSDCDAMJLSORN-VQIMIIECSA-N 1 3 347.503 2.225 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001268292894 1182183188 /nfs/dbraw/zinc/18/31/88/1182183188.db2.gz VOIHBKVAEAKPMU-ROUUACIJSA-N 1 3 340.471 2.378 10 0 EEAEHO CCN(CCNCc1cc(F)cc(F)c1)C(=O)C1CC[NH+](C)CC1 ZINC001268475533 1182889998 /nfs/dbraw/zinc/88/99/98/1182889998.db2.gz FDHYNYYEDZPQQQ-UHFFFAOYSA-N 1 3 339.430 2.245 10 0 EEAEHO CCc1nocc1CN1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001482070018 1183295216 /nfs/dbraw/zinc/29/52/16/1183295216.db2.gz JLKVXAPLNRNHSY-UHFFFAOYSA-N 1 3 348.491 2.003 10 0 EEAEHO COc1cccc(CNC/C=C/CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC001268628782 1183552573 /nfs/dbraw/zinc/55/25/73/1183552573.db2.gz PYUBZYBNNDUESH-ADDHZHGLSA-N 1 3 345.487 2.330 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCc1c(F)cccc1Cl)N(C)C ZINC001268704484 1183625362 /nfs/dbraw/zinc/62/53/62/1183625362.db2.gz FIBSFBURNUZZNH-LRDDRELGSA-N 1 3 343.874 2.456 10 0 EEAEHO Cc1nc(C[NH2+]CCCN(C)C(=O)C2(N(C)C)CCC2)sc1C ZINC001268797003 1183714288 /nfs/dbraw/zinc/71/42/88/1183714288.db2.gz AGRWTHKVQWFQAO-UHFFFAOYSA-N 1 3 338.521 2.182 10 0 EEAEHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCCCCF ZINC001482422688 1185667569 /nfs/dbraw/zinc/66/75/69/1185667569.db2.gz KYITXQOOKNZURI-WBVHZDCISA-N 1 3 327.488 2.437 10 0 EEAEHO CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cc(C)no1)N(C)C ZINC001482461906 1185928854 /nfs/dbraw/zinc/92/88/54/1185928854.db2.gz LHHYRQNQEUJAFJ-NVXWUHKLSA-N 1 3 336.480 2.184 10 0 EEAEHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CCC(F)(F)F ZINC001271686070 1186371061 /nfs/dbraw/zinc/37/10/61/1186371061.db2.gz WHKKIAJOMHRCRW-LSDHHAIUSA-N 1 3 349.441 2.355 10 0 EEAEHO C[C@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)CN1CC[C@H](C)C1 ZINC001482870798 1187790639 /nfs/dbraw/zinc/79/06/39/1187790639.db2.gz GWKBONKZYJQVNX-JKSUJKDBSA-N 1 3 342.487 2.494 10 0 EEAEHO C[C@H](NCc1ccc(Cl)cc1F)[C@H](C)NC(=O)CC[NH+](C)C ZINC001409413982 1189645649 /nfs/dbraw/zinc/64/56/49/1189645649.db2.gz PRDXYCHNNYIJNM-RYUDHWBXSA-N 1 3 329.847 2.414 10 0 EEAEHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)N(C)C[C@@H]1CC(C)(C)CO1 ZINC001409680823 1190181015 /nfs/dbraw/zinc/18/10/15/1190181015.db2.gz FEPYRUIZHKVXMM-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1nn(C(C)C)cc1CN[C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001486122657 1193688190 /nfs/dbraw/zinc/68/81/90/1193688190.db2.gz SYMZLNJZTPEXMB-YJBOKZPZSA-N 1 3 349.523 2.193 10 0 EEAEHO C[C@H]1C[C@H]([NH2+]CCCOc2ccccc2)CN1C(=O)CN1CCCC1 ZINC001486125589 1193689046 /nfs/dbraw/zinc/68/90/46/1193689046.db2.gz CCGJSGIJMOVQOC-ROUUACIJSA-N 1 3 345.487 2.130 10 0 EEAEHO C[NH+](C)CCCCC(=O)NC[C@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001483694285 1190769365 /nfs/dbraw/zinc/76/93/65/1190769365.db2.gz VGWVNTHLZJFKFG-HUUCEWRRSA-N 1 3 331.451 2.344 10 0 EEAEHO C[C@H](F)CC[N@@H+]1CCC[C@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001484161725 1191249487 /nfs/dbraw/zinc/24/94/87/1191249487.db2.gz YTFKBBONYUCATE-MAUKXSAKSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@H](F)CC[N@H+]1CCC[C@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001484161725 1191249489 /nfs/dbraw/zinc/24/94/89/1191249489.db2.gz YTFKBBONYUCATE-MAUKXSAKSA-N 1 3 327.488 2.437 10 0 EEAEHO COCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001484726772 1191486377 /nfs/dbraw/zinc/48/63/77/1191486377.db2.gz RFXCMGUIVIZIGF-ROUUACIJSA-N 1 3 339.524 2.257 10 0 EEAEHO COCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001484726772 1191486378 /nfs/dbraw/zinc/48/63/78/1191486378.db2.gz RFXCMGUIVIZIGF-ROUUACIJSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1ncc(CN[C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001485181895 1191679675 /nfs/dbraw/zinc/67/96/75/1191679675.db2.gz UESDBUWCASCGNU-QWHCGFSZSA-N 1 3 338.521 2.309 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]CCOC2CCC2)CCCCC1 ZINC001485456573 1191792283 /nfs/dbraw/zinc/79/22/83/1191792283.db2.gz XNFZYBIXAVXVEI-UHFFFAOYSA-N 1 3 348.491 2.238 10 0 EEAEHO C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC001486240481 1193766679 /nfs/dbraw/zinc/76/66/79/1193766679.db2.gz LSULAPAQSNHBPK-LSDHHAIUSA-N 1 3 327.488 2.436 10 0 EEAEHO CC[C@@H](C[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)N(C)C)CC1)OC ZINC001486446532 1193960997 /nfs/dbraw/zinc/96/09/97/1193960997.db2.gz OOSFFYTWGHTAMX-SZMVWBNQSA-N 1 3 341.540 2.214 10 0 EEAEHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]C/C=C\c2ccccc2)C1 ZINC001486457315 1193978361 /nfs/dbraw/zinc/97/83/61/1193978361.db2.gz AWNZHWUBJJKMEB-KTBCAXRRSA-N 1 3 327.472 2.373 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001273140699 1196774644 /nfs/dbraw/zinc/77/46/44/1196774644.db2.gz PFWFDNMEWOMLJB-CMPLNLGQSA-N 1 3 347.290 2.329 10 0 EEAEHO Cc1ccccc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001410114877 1197554492 /nfs/dbraw/zinc/55/44/92/1197554492.db2.gz HMONLBJRXKJGEZ-HAGHYFMRSA-N 1 3 343.515 2.375 10 0 EEAEHO Cc1ccccc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001410114877 1197554494 /nfs/dbraw/zinc/55/44/94/1197554494.db2.gz HMONLBJRXKJGEZ-HAGHYFMRSA-N 1 3 343.515 2.375 10 0 EEAEHO Cc1ccncc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001410220361 1197612818 /nfs/dbraw/zinc/61/28/18/1197612818.db2.gz FSHHZXJOPQPPDJ-SAABIXHNSA-N 1 3 346.519 2.352 10 0 EEAEHO Cc1nc(C(C)C)ccc1CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001410501737 1198056766 /nfs/dbraw/zinc/05/67/66/1198056766.db2.gz RABJCTWTEYXNOM-QAPCUYQASA-N 1 3 346.519 2.402 10 0 EEAEHO Cc1nc(C(C)C)ccc1CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410501737 1198056775 /nfs/dbraw/zinc/05/67/75/1198056775.db2.gz RABJCTWTEYXNOM-QAPCUYQASA-N 1 3 346.519 2.402 10 0 EEAEHO c1c(CN[C@H]2CCCCC23CC[NH2+]CC3)nnn1Cc1cccnc1 ZINC000873232637 1198537339 /nfs/dbraw/zinc/53/73/39/1198537339.db2.gz JZZFQDCLRQONMQ-SFHVURJKSA-N 1 3 340.475 2.123 10 0 EEAEHO C[N@@H+]1CCCC12CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)CC2 ZINC000810868927 1199798608 /nfs/dbraw/zinc/79/86/08/1199798608.db2.gz YTBTVULKDHQNEO-SFHVURJKSA-N 1 3 325.472 2.286 10 0 EEAEHO C[N@H+]1CCCC12CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)CC2 ZINC000810868927 1199798611 /nfs/dbraw/zinc/79/86/11/1199798611.db2.gz YTBTVULKDHQNEO-SFHVURJKSA-N 1 3 325.472 2.286 10 0 EEAEHO O=C(CCC12CC(C1)C[NH2+]2)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000870863262 1200917963 /nfs/dbraw/zinc/91/79/63/1200917963.db2.gz WNPOIYZQGSNZJM-IPCDKGFNSA-N 1 3 327.472 2.472 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NC/C=C/CNCc2cccc(Cl)c2)C1 ZINC001274498036 1205058016 /nfs/dbraw/zinc/05/80/16/1205058016.db2.gz CTJYPVMQDPOSQH-KZSQQDEKSA-N 1 3 335.879 2.444 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NC/C=C/CNCc2cccc(Cl)c2)C1 ZINC001274498036 1205058019 /nfs/dbraw/zinc/05/80/19/1205058019.db2.gz CTJYPVMQDPOSQH-KZSQQDEKSA-N 1 3 335.879 2.444 10 0 EEAEHO Cc1cccc(C(=O)NCCN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925496475 1206119506 /nfs/dbraw/zinc/11/95/06/1206119506.db2.gz VBJFYRAIWVIWMO-MOPGFXCFSA-N 1 3 329.488 2.483 10 0 EEAEHO O=C(NCCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccccc1F ZINC000925497483 1206119544 /nfs/dbraw/zinc/11/95/44/1206119544.db2.gz ZWZAQRDFXUWBAS-FUHWJXTLSA-N 1 3 333.451 2.313 10 0 EEAEHO O=C1O[C@H](CN[C@@H]2CCCOc3ccc(F)cc32)CC12CC[NH2+]CC2 ZINC000925849196 1206159977 /nfs/dbraw/zinc/15/99/77/1206159977.db2.gz BRBLQIRRLXWZGI-GOEBONIOSA-N 1 3 348.418 2.314 10 0 EEAEHO C[C@]12CN(Cc3ccccc3)C[C@@]1(C)C[N@H+](CCN1CCCC1=O)C2 ZINC000931215426 1206616729 /nfs/dbraw/zinc/61/67/29/1206616729.db2.gz XJRPQNCLPUSRTM-OYRHEFFESA-N 1 3 341.499 2.453 10 0 EEAEHO C[C@]12CN(Cc3ccccc3)C[C@@]1(C)C[N@@H+](CCN1CCCC1=O)C2 ZINC000931215426 1206616730 /nfs/dbraw/zinc/61/67/30/1206616730.db2.gz XJRPQNCLPUSRTM-OYRHEFFESA-N 1 3 341.499 2.453 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827075941 1249786070 /nfs/dbraw/zinc/78/60/70/1249786070.db2.gz IICOEHMNOZDUTI-IUODEOHRSA-N 1 3 338.883 2.281 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827075941 1249786075 /nfs/dbraw/zinc/78/60/75/1249786075.db2.gz IICOEHMNOZDUTI-IUODEOHRSA-N 1 3 338.883 2.281 10 0 EEAEHO CCOCCN1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001491235726 1258823068 /nfs/dbraw/zinc/82/30/68/1258823068.db2.gz GMBAUKVEIPNXCD-LJQANCHMSA-N 1 3 347.503 2.369 10 0 EEAEHO CCN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)CN1CC[C@H](C)C1 ZINC001273609964 1281121313 /nfs/dbraw/zinc/12/13/13/1281121313.db2.gz FVPVLNXSCGWYRF-INIZCTEOSA-N 1 3 342.487 2.448 10 0 EEAEHO CCC1([NH2+]CCC[C@@H](C)O)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001273782846 1285657617 /nfs/dbraw/zinc/65/76/17/1285657617.db2.gz PAVHOVPKSGOGMQ-IAGOWNOFSA-N 1 3 341.540 2.094 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(N(C)C)cc1 ZINC000854165934 1292655339 /nfs/dbraw/zinc/65/53/39/1292655339.db2.gz REMMOYSQVMCJLJ-HNNXBMFYSA-N 1 3 335.496 2.146 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(N(C)C)cc1 ZINC000854165934 1292655349 /nfs/dbraw/zinc/65/53/49/1292655349.db2.gz REMMOYSQVMCJLJ-HNNXBMFYSA-N 1 3 335.496 2.146 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCNCc2cc(C)no2)CC[N@@H+]1C ZINC001277193598 1301751011 /nfs/dbraw/zinc/75/10/11/1301751011.db2.gz JRIYBWHSLRDYSQ-RRQGHBQHSA-N 1 3 336.480 2.088 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCNCc2cc(C)no2)CC[N@H+]1C ZINC001277193598 1301751018 /nfs/dbraw/zinc/75/10/18/1301751018.db2.gz JRIYBWHSLRDYSQ-RRQGHBQHSA-N 1 3 336.480 2.088 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCOc1ccccc1C)N(C)C ZINC001277940110 1305207277 /nfs/dbraw/zinc/20/72/77/1305207277.db2.gz BVQDPKXDEOEUDT-MSOLQXFVSA-N 1 3 347.503 2.295 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1cncc(F)c1 ZINC001276404729 1315637531 /nfs/dbraw/zinc/63/75/31/1315637531.db2.gz KJYXQUCXLGXPGD-QGZVFWFLSA-N 1 3 336.455 2.033 10 0 EEAEHO C[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H](CNCCF)C1 ZINC001264005317 1322582066 /nfs/dbraw/zinc/58/20/66/1322582066.db2.gz RRXDKCPPRZEXJW-QAPCUYQASA-N 1 3 339.499 2.295 10 0 EEAEHO COCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001264196969 1322664693 /nfs/dbraw/zinc/66/46/93/1322664693.db2.gz PZVIERRXMQVNSV-SJORKVTESA-N 1 3 341.540 2.216 10 0 EEAEHO COCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001264196969 1322664698 /nfs/dbraw/zinc/66/46/98/1322664698.db2.gz PZVIERRXMQVNSV-SJORKVTESA-N 1 3 341.540 2.216 10 0 EEAEHO CCOCCN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001264740420 1322797119 /nfs/dbraw/zinc/79/71/19/1322797119.db2.gz RABITTXWELTTMV-OKZBNKHCSA-N 1 3 339.524 2.066 10 0 EEAEHO CCOCCN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001264740420 1322797123 /nfs/dbraw/zinc/79/71/23/1322797123.db2.gz RABITTXWELTTMV-OKZBNKHCSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCCOC)CC(C)(C)C1)N(C)C ZINC001264753685 1322808757 /nfs/dbraw/zinc/80/87/57/1322808757.db2.gz MOJTUARYUOCMGC-IRXDYDNUSA-N 1 3 341.540 2.360 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCCOC)CC(C)(C)C1)N(C)C ZINC001264753685 1322808765 /nfs/dbraw/zinc/80/87/65/1322808765.db2.gz MOJTUARYUOCMGC-IRXDYDNUSA-N 1 3 341.540 2.360 10 0 EEAEHO CN(CCCNC(=O)C1(C[NH+](C)C)CC1)Cc1ccc(F)c(F)c1 ZINC001265912296 1323481587 /nfs/dbraw/zinc/48/15/87/1323481587.db2.gz USUBCHJTIQUMPG-UHFFFAOYSA-N 1 3 339.430 2.245 10 0 EEAEHO CC[C@H](F)CN(CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001266138770 1323709893 /nfs/dbraw/zinc/70/98/93/1323709893.db2.gz SVBUNFHPJNNAMK-DOTOQJQBSA-N 1 3 325.472 2.047 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)NCCCCCC2CCN(CCF)CC2)C1 ZINC001281062838 1324749639 /nfs/dbraw/zinc/74/96/39/1324749639.db2.gz KGNNMPJPOIKPRK-KRWDZBQOSA-N 1 3 327.488 2.296 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)NCCCCCC2CCN(CCF)CC2)C1 ZINC001281062838 1324749646 /nfs/dbraw/zinc/74/96/46/1324749646.db2.gz KGNNMPJPOIKPRK-KRWDZBQOSA-N 1 3 327.488 2.296 10 0 EEAEHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]Cc2cccc(Cl)n2)C1 ZINC001282084816 1325617418 /nfs/dbraw/zinc/61/74/18/1325617418.db2.gz UDXAUBKUXAXMGB-UHFFFAOYSA-N 1 3 338.883 2.060 10 0 EEAEHO COCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001282737935 1325776258 /nfs/dbraw/zinc/77/62/58/1325776258.db2.gz CWIBWDAPVQMGBQ-AEFFLSMTSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1cncc(C[NH2+]CCC[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001283187382 1325949025 /nfs/dbraw/zinc/94/90/25/1325949025.db2.gz VGAFXNOLCCIQHR-INIZCTEOSA-N 1 3 332.492 2.249 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cnn(C)c1 ZINC001283249352 1325971055 /nfs/dbraw/zinc/97/10/55/1325971055.db2.gz SEGMILFXZHHCPH-SJLPKXTDSA-N 1 3 349.523 2.058 10 0 EEAEHO Cc1ncccc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001491601351 1330180626 /nfs/dbraw/zinc/18/06/26/1330180626.db2.gz JQSXNXBBVAPWEW-QAPCUYQASA-N 1 3 332.492 2.247 10 0 EEAEHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1ccc(Cl)s1 ZINC001491640159 1330194093 /nfs/dbraw/zinc/19/40/93/1330194093.db2.gz ITSBSKSBKBRFHG-LLVKDONJSA-N 1 3 327.881 2.092 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001491682309 1330204207 /nfs/dbraw/zinc/20/42/07/1330204207.db2.gz KPXAZVQIRZUOFB-LBPRGKRZSA-N 1 3 329.847 2.414 10 0 EEAEHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001492129640 1330982454 /nfs/dbraw/zinc/98/24/54/1330982454.db2.gz RVDCORSZTWDXRZ-CYBMUJFWSA-N 1 3 327.419 2.289 10 0 EEAEHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCNCc1nccs1 ZINC001320565274 1332911541 /nfs/dbraw/zinc/91/15/41/1332911541.db2.gz XYBJUAHBIWZFQF-GJZGRUSLSA-N 1 3 338.521 2.390 10 0 EEAEHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCNCc1nccs1 ZINC001320565274 1332911543 /nfs/dbraw/zinc/91/15/43/1332911543.db2.gz XYBJUAHBIWZFQF-GJZGRUSLSA-N 1 3 338.521 2.390 10 0 EEAEHO CCN(CCNCc1ccccc1N(C)C)C(=O)C1CC[NH+](C)CC1 ZINC001320830036 1332961227 /nfs/dbraw/zinc/96/12/27/1332961227.db2.gz LGBXAJUAACURHI-UHFFFAOYSA-N 1 3 346.519 2.033 10 0 EEAEHO Cc1ccc(C[NH2+]C/C=C/CNC(=O)CN(C)C2CCC2)cc1F ZINC001321095475 1333017835 /nfs/dbraw/zinc/01/78/35/1333017835.db2.gz IWXUKANMMLRPIZ-ONEGZZNKSA-N 1 3 333.451 2.380 10 0 EEAEHO Cc1cc(C)cc(C[NH2+]C/C=C/CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001321248964 1333054453 /nfs/dbraw/zinc/05/44/53/1333054453.db2.gz FTLAMXKKWLLRPX-DWTRPJMMSA-N 1 3 329.488 2.407 10 0 EEAEHO CCc1nocc1C[NH2+]CCCN(C)C(=O)[C@H]1CCCCN1CC ZINC001322851613 1333341136 /nfs/dbraw/zinc/34/11/36/1333341136.db2.gz BGAGCFOVGVDVQY-QGZVFWFLSA-N 1 3 336.480 2.050 10 0 EEAEHO CCCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H](CC)N(C)C)CC2 ZINC001330549512 1334868829 /nfs/dbraw/zinc/86/88/29/1334868829.db2.gz DUIFSFAQDPADLE-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1nc(C)c(CNCCC[C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC001330822618 1334909754 /nfs/dbraw/zinc/90/97/54/1334909754.db2.gz VBSUVSACBBHLCB-SUMWQHHRSA-N 1 3 348.491 2.008 10 0 EEAEHO Cc1nc(C)c(CNCCC[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC001330822611 1334909807 /nfs/dbraw/zinc/90/98/07/1334909807.db2.gz VBSUVSACBBHLCB-CXAGYDPISA-N 1 3 348.491 2.008 10 0 EEAEHO Cc1ccc(CC[NH2+]CCCN(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001670249733 1356304444 /nfs/dbraw/zinc/30/44/44/1356304444.db2.gz OJOUTBBQUPSEDV-GOSISDBHSA-N 1 3 331.504 2.317 10 0 EEAEHO CCC1([NH2+]Cc2cnoc2C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001502495973 1342198096 /nfs/dbraw/zinc/19/80/96/1342198096.db2.gz BCWKLKQPPFPUAF-UHFFFAOYSA-N 1 3 348.491 2.328 10 0 EEAEHO Cc1nocc1C[N@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001567259801 1342725030 /nfs/dbraw/zinc/72/50/30/1342725030.db2.gz IZKSIAOBWPFOFY-CRAIPNDOSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1nocc1C[N@@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001567259801 1342725034 /nfs/dbraw/zinc/72/50/34/1342725034.db2.gz IZKSIAOBWPFOFY-CRAIPNDOSA-N 1 3 348.491 2.186 10 0 EEAEHO C[C@@H](F)CC[NH2+]CC[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001570009526 1342998137 /nfs/dbraw/zinc/99/81/37/1342998137.db2.gz IOLPKAXRQSMGSX-SJORKVTESA-N 1 3 327.488 2.295 10 0 EEAEHO C[C@@H]1C[C@@H]([NH2+]CCCc2ccccc2)CN1C(=O)Cc1c[nH]cn1 ZINC001676762820 1357195486 /nfs/dbraw/zinc/19/54/86/1357195486.db2.gz OKSBRHAJWXRYAX-CRAIPNDOSA-N 1 3 326.444 2.164 10 0 EEAEHO CCOCCC[NH+]1CCC(C2(NC(=O)Cc3nc[nH]c3C)CC2)CC1 ZINC001677468215 1357336368 /nfs/dbraw/zinc/33/63/68/1357336368.db2.gz ZZNKEQUMEBKZNX-UHFFFAOYSA-N 1 3 348.491 2.048 10 0 EEAEHO COc1ccc(/C(C)=C/C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC001584248598 1348725902 /nfs/dbraw/zinc/72/59/02/1348725902.db2.gz SGENTYLTVAEMDF-ZQHZRZASSA-N 1 3 347.503 2.487 10 0 EEAEHO COc1ccc(/C(C)=C/C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC001584248598 1348725904 /nfs/dbraw/zinc/72/59/04/1348725904.db2.gz SGENTYLTVAEMDF-ZQHZRZASSA-N 1 3 347.503 2.487 10 0 EEAEHO Cc1cc(C)cc(OCC[NH2+]CCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001664186075 1355109695 /nfs/dbraw/zinc/10/96/95/1355109695.db2.gz JRQACOLGOUNPJK-INIZCTEOSA-N 1 3 347.503 2.072 10 0 EEAEHO CC(C)OCC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CCCC1 ZINC001666808351 1355593524 /nfs/dbraw/zinc/59/35/24/1355593524.db2.gz FVOQVBBRFDXJQV-IAGOWNOFSA-N 1 3 339.524 2.303 10 0 EEAEHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1C[NH2+]CCc1ccccc1 ZINC001667395399 1355732159 /nfs/dbraw/zinc/73/21/59/1355732159.db2.gz ZVNJXWRFUYWDIB-VQIMIIECSA-N 1 3 340.471 2.412 10 0 EEAEHO Cc1cnc(CNCC[C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)cn1 ZINC001668235193 1355905941 /nfs/dbraw/zinc/90/59/41/1355905941.db2.gz ZWEGWKNPPJUZGW-RDJZCZTQSA-N 1 3 347.507 2.034 10 0 EEAEHO Cc1ncoc1CNCCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001670095838 1356275066 /nfs/dbraw/zinc/27/50/66/1356275066.db2.gz YHEWPSHOOUQEGY-UHFFFAOYSA-N 1 3 336.480 2.186 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccccc2F)C1)N(C)C ZINC001675793008 1357050116 /nfs/dbraw/zinc/05/01/16/1357050116.db2.gz VLFKTXDZZYSHGD-ZVZYQTTQSA-N 1 3 335.467 2.193 10 0 EEAEHO [NH3+][C@H]1CCCCC[C@@H]1NCC1(n2cc(Br)cn2)CC1 ZINC000925837880 779151948 /nfs/dbraw/zinc/15/19/48/779151948.db2.gz ISIVHZSMRRMKNP-STQMWFEESA-N 1 3 327.270 2.384 10 0 EEAEHO CC1CC[NH+](CCCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000809970828 783544938 /nfs/dbraw/zinc/54/49/38/783544938.db2.gz NAFMXMDZGMQOQA-GOSISDBHSA-N 1 3 327.488 2.437 10 0 EEAEHO c1cc(CN2CCC(OC[C@H]3CCCO3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000824645952 788253780 /nfs/dbraw/zinc/25/37/80/788253780.db2.gz UBNAVELAEXJAEC-LJQANCHMSA-N 1 3 342.443 2.427 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](NC(=O)CC2(N3CCOCC3)CCCC2)C12CCC2 ZINC000912603164 788262066 /nfs/dbraw/zinc/26/20/66/788262066.db2.gz YEDCMYNSEQMTGM-SJORKVTESA-N 1 3 349.519 2.011 10 0 EEAEHO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496775 789669911 /nfs/dbraw/zinc/66/99/11/789669911.db2.gz DIZPXSPYJONYJG-OWCLPIDISA-N 1 3 342.487 2.132 10 0 EEAEHO Cc1c(C[C@H](CN)C[NH2+][C@H](C)CCCc2cccnc2)cnn1C ZINC000903929224 796153258 /nfs/dbraw/zinc/15/32/58/796153258.db2.gz CIZHCJJOXIVUOT-CRAIPNDOSA-N 1 3 329.492 2.242 10 0 EEAEHO CN(C)[C@@H]1CCOc2c(NC(=S)NC3CC[NH+](C)CC3)cccc21 ZINC000788347415 807484274 /nfs/dbraw/zinc/48/42/74/807484274.db2.gz YFSUKNRYTGDBPJ-MRXNPFEDSA-N 1 3 348.516 2.452 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(OC)c2C)[C@@H]1C ZINC001436484101 1087977041 /nfs/dbraw/zinc/97/70/41/1087977041.db2.gz LVPCXODZDSXNFO-AEFFLSMTSA-N 1 3 347.503 2.424 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(OC)c2C)[C@@H]1C ZINC001436484101 1087977051 /nfs/dbraw/zinc/97/70/51/1087977051.db2.gz LVPCXODZDSXNFO-AEFFLSMTSA-N 1 3 347.503 2.424 10 0 EEAEHO O=C(N[C@H]1C[C@H](NCC=C(Cl)Cl)C1)C12CCC[NH+](CCC1)C2 ZINC001436899180 1088552307 /nfs/dbraw/zinc/55/23/07/1088552307.db2.gz HESDMAPKLIYGBM-JOCQHMNTSA-N 1 3 346.302 2.418 10 0 EEAEHO C[NH+](C)CCCC(=O)NC[C@H]1CCCCN1C[C@@H]1CC(C)(C)CO1 ZINC001437030902 1088852183 /nfs/dbraw/zinc/85/21/83/1088852183.db2.gz BHCCJNOCZHKUKD-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H](C(=O)NC1CCC([NH2+]Cc2cc(C)ns2)CC1)N(C)C ZINC001437092105 1089045053 /nfs/dbraw/zinc/04/50/53/1089045053.db2.gz XICQPOTUPNXKJP-XUJLQICISA-N 1 3 338.521 2.309 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001437156559 1089159208 /nfs/dbraw/zinc/15/92/08/1089159208.db2.gz OCQZTYZMDVWTNL-CXAGYDPISA-N 1 3 339.430 2.434 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001437156559 1089159221 /nfs/dbraw/zinc/15/92/21/1089159221.db2.gz OCQZTYZMDVWTNL-CXAGYDPISA-N 1 3 339.430 2.434 10 0 EEAEHO CC(C)Oc1ccccc1CN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001437264891 1089410968 /nfs/dbraw/zinc/41/09/68/1089410968.db2.gz XLNRVDBXKSFFAE-WBVHZDCISA-N 1 3 333.476 2.020 10 0 EEAEHO CC(C)Oc1ccccc1CN[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001437264891 1089410976 /nfs/dbraw/zinc/41/09/76/1089410976.db2.gz XLNRVDBXKSFFAE-WBVHZDCISA-N 1 3 333.476 2.020 10 0 EEAEHO C[C@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cncs1 ZINC001437399073 1089659727 /nfs/dbraw/zinc/65/97/27/1089659727.db2.gz BNJJFRDWOPVXRD-CYBMUJFWSA-N 1 3 326.510 2.105 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+](C/C=C\c2ccccc2)C1 ZINC001437743681 1090307889 /nfs/dbraw/zinc/30/78/89/1090307889.db2.gz XHNMILWHCSYXBW-JNLAIUADSA-N 1 3 329.488 2.478 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC001437743681 1090307893 /nfs/dbraw/zinc/30/78/93/1090307893.db2.gz XHNMILWHCSYXBW-JNLAIUADSA-N 1 3 329.488 2.478 10 0 EEAEHO Cc1nn(C(C)C)cc1CN1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001437952397 1090549975 /nfs/dbraw/zinc/54/99/75/1090549975.db2.gz ZRJPMFWZMAWIBK-KRWDZBQOSA-N 1 3 349.523 2.052 10 0 EEAEHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]Cc1cncc(C)c1 ZINC001438320363 1090795983 /nfs/dbraw/zinc/79/59/83/1090795983.db2.gz FVLHSWGIRNNBMD-KRWDZBQOSA-N 1 3 332.492 2.249 10 0 EEAEHO Cc1noc(C)c1C[NH2+]C[C@](C)(NC(=O)CN(C)C(C)C)C1CC1 ZINC001438428486 1090925776 /nfs/dbraw/zinc/92/57/76/1090925776.db2.gz KFTAZJKJNWCOHE-SFHVURJKSA-N 1 3 336.480 2.006 10 0 EEAEHO C[C@H]1CCCC[C@@]1(CNCc1cncs1)NC(=O)CC[NH+](C)C ZINC001438433993 1090935516 /nfs/dbraw/zinc/93/55/16/1090935516.db2.gz WKTGCMOWIXLPBS-YOEHRIQHSA-N 1 3 338.521 2.250 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCc2cccnc2C)C1 ZINC001445431890 1091189170 /nfs/dbraw/zinc/18/91/70/1091189170.db2.gz YHEWFKHFTWYRQT-CRAIPNDOSA-N 1 3 332.492 2.106 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCc2cccnc2C)C1 ZINC001445431890 1091189174 /nfs/dbraw/zinc/18/91/74/1091189174.db2.gz YHEWFKHFTWYRQT-CRAIPNDOSA-N 1 3 332.492 2.106 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)CNCc2cnccc2C)C1 ZINC001438689444 1091191328 /nfs/dbraw/zinc/19/13/28/1091191328.db2.gz ZIYKSJAHDPJFID-QZTJIDSGSA-N 1 3 346.519 2.449 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)CNCc2cnccc2C)C1 ZINC001438689444 1091191330 /nfs/dbraw/zinc/19/13/30/1091191330.db2.gz ZIYKSJAHDPJFID-QZTJIDSGSA-N 1 3 346.519 2.449 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cncs2)C1 ZINC001438775269 1091363064 /nfs/dbraw/zinc/36/30/64/1091363064.db2.gz UYBUZNLBBNHRLL-CABCVRRESA-N 1 3 338.521 2.200 10 0 EEAEHO Cc1nocc1C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001438777929 1091372542 /nfs/dbraw/zinc/37/25/42/1091372542.db2.gz YTMRIWFEBPFDTE-GDBMZVCRSA-N 1 3 336.480 2.040 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCc2ccns2)C(C)C)CC[N@@H+]1C ZINC001438818347 1091435999 /nfs/dbraw/zinc/43/59/99/1091435999.db2.gz YEGBPGCEAHNULB-HRCADAONSA-N 1 3 338.521 2.104 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCc2ccns2)C(C)C)CC[N@H+]1C ZINC001438818347 1091436001 /nfs/dbraw/zinc/43/60/01/1091436001.db2.gz YEGBPGCEAHNULB-HRCADAONSA-N 1 3 338.521 2.104 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(COC)c1 ZINC001445661255 1091450258 /nfs/dbraw/zinc/45/02/58/1091450258.db2.gz YZOHMQSFZIYBRT-QFBILLFUSA-N 1 3 347.503 2.302 10 0 EEAEHO CCc1cccc(CN(C)CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001438931362 1091612788 /nfs/dbraw/zinc/61/27/88/1091612788.db2.gz GKIYDZQCWMKCMO-IBGZPJMESA-N 1 3 331.504 2.481 10 0 EEAEHO CCc1cccc(CN(C)CCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001438931362 1091612793 /nfs/dbraw/zinc/61/27/93/1091612793.db2.gz GKIYDZQCWMKCMO-IBGZPJMESA-N 1 3 331.504 2.481 10 0 EEAEHO C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001439257051 1091907381 /nfs/dbraw/zinc/90/73/81/1091907381.db2.gz XSECNXVDTIMKNN-HNAYVOBHSA-N 1 3 335.467 2.493 10 0 EEAEHO CC(C)(C(=O)N[C@@H](C[NH2+]Cc1cncc(F)c1)C1CC1)N1CCCC1 ZINC001445963550 1091915312 /nfs/dbraw/zinc/91/53/12/1091915312.db2.gz VDTFEMADGYVMJU-KRWDZBQOSA-N 1 3 348.466 2.080 10 0 EEAEHO CC(C)(C(=O)N[C@@H](CNCc1cncc(F)c1)C1CC1)[NH+]1CCCC1 ZINC001445963550 1091915316 /nfs/dbraw/zinc/91/53/16/1091915316.db2.gz VDTFEMADGYVMJU-KRWDZBQOSA-N 1 3 348.466 2.080 10 0 EEAEHO Cc1ccc(F)c(CNC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)c1 ZINC001445988226 1091956703 /nfs/dbraw/zinc/95/67/03/1091956703.db2.gz GWRNVGBMGIBSMM-DNVCBOLYSA-N 1 3 347.478 2.460 10 0 EEAEHO Cc1ccc(F)c(CNC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C2CC2)c1 ZINC001445988226 1091956711 /nfs/dbraw/zinc/95/67/11/1091956711.db2.gz GWRNVGBMGIBSMM-DNVCBOLYSA-N 1 3 347.478 2.460 10 0 EEAEHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001439395929 1092147515 /nfs/dbraw/zinc/14/75/15/1092147515.db2.gz KACDJCPGBYWGMM-OAHLLOKOSA-N 1 3 330.476 2.446 10 0 EEAEHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001439395929 1092147518 /nfs/dbraw/zinc/14/75/18/1092147518.db2.gz KACDJCPGBYWGMM-OAHLLOKOSA-N 1 3 330.476 2.446 10 0 EEAEHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]Cc1ccccn1 ZINC001439515886 1092360108 /nfs/dbraw/zinc/36/01/08/1092360108.db2.gz PMGULHKVWGJGLS-FUHWJXTLSA-N 1 3 332.492 2.139 10 0 EEAEHO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)CN3CC[C@H](C)C3)C2)c(C)n1 ZINC001440356254 1093513345 /nfs/dbraw/zinc/51/33/45/1093513345.db2.gz OEILQJIEJCYIHG-FNHZYXHNSA-N 1 3 344.503 2.025 10 0 EEAEHO Cc1cccnc1CN[C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001448698053 1093760556 /nfs/dbraw/zinc/76/05/56/1093760556.db2.gz MCVOFNQEYWCJME-MJGOQNOKSA-N 1 3 346.519 2.447 10 0 EEAEHO Cc1cccnc1CN[C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001448698053 1093760563 /nfs/dbraw/zinc/76/05/63/1093760563.db2.gz MCVOFNQEYWCJME-MJGOQNOKSA-N 1 3 346.519 2.447 10 0 EEAEHO CC[C@H](F)CN1CC[C@@]2(C1)CCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001440537256 1093801319 /nfs/dbraw/zinc/80/13/19/1093801319.db2.gz KBXHTOVYEILJSX-FUHWJXTLSA-N 1 3 327.488 2.391 10 0 EEAEHO CC[C@H](F)CN1CC[C@@]2(C1)CCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001440537256 1093801323 /nfs/dbraw/zinc/80/13/23/1093801323.db2.gz KBXHTOVYEILJSX-FUHWJXTLSA-N 1 3 327.488 2.391 10 0 EEAEHO CC[N@H+](CC[C@@H](C)F)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001440707561 1093955992 /nfs/dbraw/zinc/95/59/92/1093955992.db2.gz SPWQBHVGORQAHG-MRXNPFEDSA-N 1 3 327.488 2.391 10 0 EEAEHO CC[N@@H+](CC[C@@H](C)F)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001440707561 1093955998 /nfs/dbraw/zinc/95/59/98/1093955998.db2.gz SPWQBHVGORQAHG-MRXNPFEDSA-N 1 3 327.488 2.391 10 0 EEAEHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CC2CC(F)(F)C2)C1)N(C)C ZINC001440762663 1094003747 /nfs/dbraw/zinc/00/37/47/1094003747.db2.gz ZSZPWZXUMCZKHA-ZALBZXLWSA-N 1 3 331.451 2.102 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CNCc2ccns2)C(C)(C)C)C1 ZINC001449320322 1094274144 /nfs/dbraw/zinc/27/41/44/1094274144.db2.gz BPXDSSUJNJFQDO-ZFWWWQNUSA-N 1 3 338.521 2.105 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CNCc2ccns2)C(C)(C)C)C1 ZINC001449320322 1094274150 /nfs/dbraw/zinc/27/41/50/1094274150.db2.gz BPXDSSUJNJFQDO-ZFWWWQNUSA-N 1 3 338.521 2.105 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ocnc3C)C[C@H]2C1 ZINC001441331914 1094797013 /nfs/dbraw/zinc/79/70/13/1094797013.db2.gz 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CCCN1CCC[C@@H]1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000576639785 320190947 /nfs/dbraw/zinc/19/09/47/320190947.db2.gz LUOGLCPZGKKTSR-FGTMMUONSA-N 1 3 333.451 2.343 10 0 EEAEHO CC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000521471829 468317066 /nfs/dbraw/zinc/31/70/66/468317066.db2.gz UBZXSDNZNQEHDT-MOPGFXCFSA-N 1 3 344.503 2.463 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)NCC[N@H+](CC)C3CC3)cc2)CC1 ZINC000118784301 462853181 /nfs/dbraw/zinc/85/31/81/462853181.db2.gz BYMFJDWKIKPVJL-UHFFFAOYSA-N 1 3 344.503 2.043 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)NCC[N@@H+](CC)C3CC3)cc2)CC1 ZINC000118784301 462853189 /nfs/dbraw/zinc/85/31/89/462853189.db2.gz BYMFJDWKIKPVJL-UHFFFAOYSA-N 1 3 344.503 2.043 10 0 EEAEHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCN2CCOC)cc1 ZINC000069505344 463263096 /nfs/dbraw/zinc/26/30/96/463263096.db2.gz QEJQTJOWAAAEAG-IBGZPJMESA-N 1 3 347.503 2.369 10 0 EEAEHO CCN1CCC[C@@H](Nc2cc(N[C@@H]3CCC[N@H+](CC)C3)ncn2)C1 ZINC000185228814 463782141 /nfs/dbraw/zinc/78/21/41/463782141.db2.gz OLZQIMZJABXOKH-HZPDHXFCSA-N 1 3 332.496 2.269 10 0 EEAEHO CCN1CCC[C@@H](Nc2cc(N[C@@H]3CCC[N@@H+](CC)C3)ncn2)C1 ZINC000185228814 463782150 /nfs/dbraw/zinc/78/21/50/463782150.db2.gz OLZQIMZJABXOKH-HZPDHXFCSA-N 1 3 332.496 2.269 10 0 EEAEHO C[C@H]1CCCCN1CCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000579569413 468377335 /nfs/dbraw/zinc/37/73/35/468377335.db2.gz OABNNRGAFQTMLL-ZDUSSCGKSA-N 1 3 334.439 2.467 10 0 EEAEHO CC1CCN([C@@H](CNC(=O)C2([NH3+])CCOCC2)c2ccccc2)CC1 ZINC000261902325 463894047 /nfs/dbraw/zinc/89/40/47/463894047.db2.gz RTVJKGXWAIZFEZ-SFHVURJKSA-N 1 3 345.487 2.084 10 0 EEAEHO COc1c(C)cc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1C ZINC000262139674 463956818 /nfs/dbraw/zinc/95/68/18/463956818.db2.gz ZBGOBJCZROMWCK-QGZVFWFLSA-N 1 3 333.476 2.132 10 0 EEAEHO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000245678170 464504841 /nfs/dbraw/zinc/50/48/41/464504841.db2.gz UOUWJQSNVVSJHX-NZSAHSFTSA-N 1 3 344.503 2.463 10 0 EEAEHO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000245678170 464504847 /nfs/dbraw/zinc/50/48/47/464504847.db2.gz UOUWJQSNVVSJHX-NZSAHSFTSA-N 1 3 344.503 2.463 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000246542108 464598071 /nfs/dbraw/zinc/59/80/71/464598071.db2.gz WMGCTERNLCXWKU-KURKYZTESA-N 1 3 338.540 2.479 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000246542108 464598073 /nfs/dbraw/zinc/59/80/73/464598073.db2.gz WMGCTERNLCXWKU-KURKYZTESA-N 1 3 338.540 2.479 10 0 EEAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000247535165 464692161 /nfs/dbraw/zinc/69/21/61/464692161.db2.gz XWUBITPKQIRPLQ-NJAFHUGGSA-N 1 3 330.476 2.167 10 0 EEAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000247535165 464692166 /nfs/dbraw/zinc/69/21/66/464692166.db2.gz XWUBITPKQIRPLQ-NJAFHUGGSA-N 1 3 330.476 2.167 10 0 EEAEHO CCOC(=O)c1csc(CCN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000248683698 464786455 /nfs/dbraw/zinc/78/64/55/464786455.db2.gz FLHILKUUVGRRAK-FRRDWIJNSA-N 1 3 325.478 2.181 10 0 EEAEHO CCOC(=O)c1csc(CCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000248683698 464786460 /nfs/dbraw/zinc/78/64/60/464786460.db2.gz FLHILKUUVGRRAK-FRRDWIJNSA-N 1 3 325.478 2.181 10 0 EEAEHO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000176891973 464877003 /nfs/dbraw/zinc/87/70/03/464877003.db2.gz SMPXZXWIOUJGES-LJQANCHMSA-N 1 3 347.503 2.369 10 0 EEAEHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)NCCF ZINC000337499512 465399819 /nfs/dbraw/zinc/39/98/19/465399819.db2.gz ZVOLFGNLFPHZOJ-CCNLRDMRSA-N 1 3 333.451 2.246 10 0 EEAEHO CC[NH+]1CCC(CCNC(=O)N(C)[C@H](C)C2CCN(C)CC2)CC1 ZINC000351914060 465438087 /nfs/dbraw/zinc/43/80/87/465438087.db2.gz YRIPGQBBFHTDRN-MRXNPFEDSA-N 1 3 338.540 2.480 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000348212905 465492889 /nfs/dbraw/zinc/49/28/89/465492889.db2.gz ZNESRNUTNNTITA-FGTMMUONSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000331906697 466298140 /nfs/dbraw/zinc/29/81/40/466298140.db2.gz LFXMDUNEHXVFHI-SPUZQDLCSA-N 1 3 330.476 2.201 10 0 EEAEHO C[C@H](C[NH3+])N(C)C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417692369 466910040 /nfs/dbraw/zinc/91/00/40/466910040.db2.gz YEIPNICVDBWTGJ-CRAIPNDOSA-N 1 3 346.519 2.448 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)[C@H]1c1ccccc1 ZINC000417942480 466996246 /nfs/dbraw/zinc/99/62/46/466996246.db2.gz OAPKDYPKGSMWLO-NLWGTHIKSA-N 1 3 342.487 2.217 10 0 EEAEHO C[C@@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1cccc(OCCN(C)C)c1 ZINC000424323058 467029381 /nfs/dbraw/zinc/02/93/81/467029381.db2.gz KJKVKCMGZOXIKD-HZPDHXFCSA-N 1 3 333.476 2.146 10 0 EEAEHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000418103740 467045242 /nfs/dbraw/zinc/04/52/42/467045242.db2.gz WQESHAUEVPBWPK-SFHVURJKSA-N 1 3 346.519 2.320 10 0 EEAEHO [NH3+]CCCNC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418350764 467096608 /nfs/dbraw/zinc/09/66/08/467096608.db2.gz LQNPUFOTWRQIFI-LJQANCHMSA-N 1 3 330.476 2.033 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000418587321 467132445 /nfs/dbraw/zinc/13/24/45/467132445.db2.gz GMWVIGLBLJGTEP-NVXWUHKLSA-N 1 3 332.492 2.194 10 0 EEAEHO CN1CCC(C[NH2+][C@H]2CCCC[C@H]2C2CC2)(N2CCOCC2)CC1 ZINC000414205225 467390720 /nfs/dbraw/zinc/39/07/20/467390720.db2.gz XCVWNGWNDRAQRF-OALUTQOASA-N 1 3 335.536 2.341 10 0 EEAEHO c1[nH]nc(-c2cccnc2)c1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248597 467967984 /nfs/dbraw/zinc/96/79/84/467967984.db2.gz MXGABFOILIDSNZ-SFHVURJKSA-N 1 3 341.459 2.062 10 0 EEAEHO CCN1CCC(NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC000530969360 468021238 /nfs/dbraw/zinc/02/12/38/468021238.db2.gz UJDDLPZJMMJLBG-UHFFFAOYSA-N 1 3 330.476 2.207 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000516749680 468045070 /nfs/dbraw/zinc/04/50/70/468045070.db2.gz IXFPNUVIZKLIRB-LMSBXDPUSA-N 1 3 330.476 2.119 10 0 EEAEHO C[C@@H](CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+])N1CCC(C)CC1 ZINC000567821329 468217016 /nfs/dbraw/zinc/21/70/16/468217016.db2.gz ZBOQKAHRCPDZPF-QFBILLFUSA-N 1 3 344.503 2.375 10 0 EEAEHO Cc1ccccc1CN1CCC(NC(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000561125461 468865586 /nfs/dbraw/zinc/86/55/86/468865586.db2.gz VJFNVGLBHVAUTA-GOSISDBHSA-N 1 3 344.503 2.401 10 0 EEAEHO CCC[NH+](CCC)CCCC(=O)N1CCOC[C@@H]1[C@@H]1CCCN1C ZINC000615262535 469194374 /nfs/dbraw/zinc/19/43/74/469194374.db2.gz GLGVGZBQUOXVDQ-ZWKOTPCHSA-N 1 3 339.524 2.210 10 0 EEAEHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)c2)CC1 ZINC000625879031 469422138 /nfs/dbraw/zinc/42/21/38/469422138.db2.gz DNRUDFMNOKSVPX-NVXWUHKLSA-N 1 3 345.491 2.091 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000625879522 469422663 /nfs/dbraw/zinc/42/26/63/469422663.db2.gz VSSCAKGLXLOLNI-ZWKOTPCHSA-N 1 3 345.491 2.091 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCCN(C)C2)C1 ZINC000603758194 469427459 /nfs/dbraw/zinc/42/74/59/469427459.db2.gz GXUOATLXUBIHML-SQNIBIBYSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCCN(C)C2)C1 ZINC000603758194 469427463 /nfs/dbraw/zinc/42/74/63/469427463.db2.gz GXUOATLXUBIHML-SQNIBIBYSA-N 1 3 336.524 2.377 10 0 EEAEHO CN(C)CCN(C)CCC[NH2+]Cc1ccccc1-c1ccnn1C ZINC000623087294 469545679 /nfs/dbraw/zinc/54/56/79/469545679.db2.gz JOTCPUDDTHGHNA-UHFFFAOYSA-N 1 3 329.492 2.060 10 0 EEAEHO C[N@@H+]1CC[C@H](NCc2ccccc2CN2CCOCC2)CC1(C)C ZINC000623341862 469629824 /nfs/dbraw/zinc/62/98/24/469629824.db2.gz VFFHPVDHQRYGKD-IBGZPJMESA-N 1 3 331.504 2.481 10 0 EEAEHO C[N@H+]1CC[C@H](NCc2ccccc2CN2CCOCC2)CC1(C)C ZINC000623341862 469629827 /nfs/dbraw/zinc/62/98/27/469629827.db2.gz VFFHPVDHQRYGKD-IBGZPJMESA-N 1 3 331.504 2.481 10 0 EEAEHO CN1CC[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)CC1(C)C ZINC000623341862 469629832 /nfs/dbraw/zinc/62/98/32/469629832.db2.gz VFFHPVDHQRYGKD-IBGZPJMESA-N 1 3 331.504 2.481 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc2c1O[C@@H](C)C2 ZINC000617503640 469701151 /nfs/dbraw/zinc/70/11/51/469701151.db2.gz SAHRRWXSEWSIKJ-GJZGRUSLSA-N 1 3 333.476 2.012 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc2c1O[C@@H](C)C2 ZINC000617503640 469701156 /nfs/dbraw/zinc/70/11/56/469701156.db2.gz SAHRRWXSEWSIKJ-GJZGRUSLSA-N 1 3 333.476 2.012 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCc2ccccc21 ZINC000617505943 469703187 /nfs/dbraw/zinc/70/31/87/469703187.db2.gz WAYLMGFXNPQRDM-FUHWJXTLSA-N 1 3 331.504 2.495 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCc2ccccc21 ZINC000617505943 469703190 /nfs/dbraw/zinc/70/31/90/469703190.db2.gz WAYLMGFXNPQRDM-FUHWJXTLSA-N 1 3 331.504 2.495 10 0 EEAEHO Cc1cccc2[nH]cc(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c21 ZINC000617505599 469704688 /nfs/dbraw/zinc/70/46/88/469704688.db2.gz JLQCEPVDENCVBM-INIZCTEOSA-N 1 3 344.503 2.407 10 0 EEAEHO Cc1cccc2[nH]cc(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c21 ZINC000617505599 469704693 /nfs/dbraw/zinc/70/46/93/469704693.db2.gz JLQCEPVDENCVBM-INIZCTEOSA-N 1 3 344.503 2.407 10 0 EEAEHO C[C@H]1CC[C@H](NC(=O)NC2CCN(Cc3ccccc3)CC2)C[NH2+]1 ZINC000626917645 469754089 /nfs/dbraw/zinc/75/40/89/469754089.db2.gz DQOPOOWSSPPRKM-YJBOKZPZSA-N 1 3 330.476 2.091 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000626946498 469765375 /nfs/dbraw/zinc/76/53/75/469765375.db2.gz RDDSKIMSZGJKMG-NRSFXHEJSA-N 1 3 330.476 2.262 10 0 EEAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627197765 469841318 /nfs/dbraw/zinc/84/13/18/469841318.db2.gz NVGAVQBSNQWKEM-MAUKXSAKSA-N 1 3 332.492 2.420 10 0 EEAEHO CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)N1 ZINC000620904683 469945690 /nfs/dbraw/zinc/94/56/90/469945690.db2.gz WQPFITXFSWAWQW-YTQUADARSA-N 1 3 329.488 2.498 10 0 EEAEHO CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)N1 ZINC000620904683 469945697 /nfs/dbraw/zinc/94/56/97/469945697.db2.gz WQPFITXFSWAWQW-YTQUADARSA-N 1 3 329.488 2.498 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC[N@@H+]1C ZINC000632042249 470198046 /nfs/dbraw/zinc/19/80/46/470198046.db2.gz ITYROAKAXCAKEZ-AYOQOUSVSA-N 1 3 344.503 2.454 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC[N@H+]1C ZINC000632042249 470198047 /nfs/dbraw/zinc/19/80/47/470198047.db2.gz ITYROAKAXCAKEZ-AYOQOUSVSA-N 1 3 344.503 2.454 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CC[N@@H+]1C ZINC000632042250 470198138 /nfs/dbraw/zinc/19/81/38/470198138.db2.gz ITYROAKAXCAKEZ-ZYSHUDEJSA-N 1 3 344.503 2.454 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CC[N@H+]1C ZINC000632042250 470198139 /nfs/dbraw/zinc/19/81/39/470198139.db2.gz ITYROAKAXCAKEZ-ZYSHUDEJSA-N 1 3 344.503 2.454 10 0 EEAEHO C[C@](O)(C[C@@H](O)CNCc1cccc(C[NH+]2CCCC2)c1)C1CC1 ZINC000634700402 470281111 /nfs/dbraw/zinc/28/11/11/470281111.db2.gz ZKMNJVVZTKEGCK-UXHICEINSA-N 1 3 332.488 2.284 10 0 EEAEHO CCN(C(=O)NC/C=C/C[NH3+])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000641869644 470505912 /nfs/dbraw/zinc/50/59/12/470505912.db2.gz DVJGSCXLWYPXEK-FPTDEYDUSA-N 1 3 330.476 2.368 10 0 EEAEHO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000646192953 470560471 /nfs/dbraw/zinc/56/04/71/470560471.db2.gz RJTIGDGDIWDMPJ-MJGOQNOKSA-N 1 3 342.487 2.271 10 0 EEAEHO CC(C)C[N@H+](C)CCCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000651195960 471085731 /nfs/dbraw/zinc/08/57/31/471085731.db2.gz HEQCCXIHDMTAOD-KRWDZBQOSA-N 1 3 338.540 2.480 10 0 EEAEHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000651195960 471085738 /nfs/dbraw/zinc/08/57/38/471085738.db2.gz HEQCCXIHDMTAOD-KRWDZBQOSA-N 1 3 338.540 2.480 10 0 EEAEHO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)CO1 ZINC000657313290 471094579 /nfs/dbraw/zinc/09/45/79/471094579.db2.gz SGTOJMGOVJAZNW-UXHICEINSA-N 1 3 331.504 2.481 10 0 EEAEHO C[C@@H]1CN(CCCC[NH2+]Cc2c(C(F)(F)F)cnn2C)C[C@H](C)O1 ZINC000657367662 471115130 /nfs/dbraw/zinc/11/51/30/471115130.db2.gz RIKGYWBAKJUXSP-BETUJISGSA-N 1 3 348.413 2.418 10 0 EEAEHO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CO1 ZINC000657363695 471115544 /nfs/dbraw/zinc/11/55/44/471115544.db2.gz AVFNCJHRONDNFK-RTBURBONSA-N 1 3 345.487 2.169 10 0 EEAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc(N2CCCC2)nc1 ZINC000657573943 471173996 /nfs/dbraw/zinc/17/39/96/471173996.db2.gz QNJPHNMHRNQHAL-KRWDZBQOSA-N 1 3 333.524 2.043 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](C)C2(CO)CC2)CC1 ZINC000657602012 471182590 /nfs/dbraw/zinc/18/25/90/471182590.db2.gz DVCHXQQWIXLNQH-KRWDZBQOSA-N 1 3 331.504 2.469 10 0 EEAEHO [NH3+]CC1(CCNC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000652141065 471243891 /nfs/dbraw/zinc/24/38/91/471243891.db2.gz DVAJBMDQOKBHFB-SFHVURJKSA-N 1 3 344.503 2.327 10 0 EEAEHO [NH3+]C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(F)(F)F ZINC000655515320 471360849 /nfs/dbraw/zinc/36/08/49/471360849.db2.gz XWLJIPVLZASVMD-OCCSQVGLSA-N 1 3 347.356 2.044 10 0 EEAEHO CC(C)[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000660575112 471399495 /nfs/dbraw/zinc/39/94/95/471399495.db2.gz SBVWADMOLXXLNH-GOSISDBHSA-N 1 3 336.524 2.279 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CNCc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000655827016 471496096 /nfs/dbraw/zinc/49/60/96/471496096.db2.gz MXEJCGCCMMTOIT-KLPPZKSPSA-N 1 3 328.359 2.447 10 0 EEAEHO CCN(C(=O)NCCN(C)Cc1ccccc1)[C@@H]1CC[N@H+](CC)C1 ZINC000663785098 471517624 /nfs/dbraw/zinc/51/76/24/471517624.db2.gz DGHKNIAXGVIADG-GOSISDBHSA-N 1 3 332.492 2.244 10 0 EEAEHO CCN(C(=O)NCCN(C)Cc1ccccc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663785098 471517628 /nfs/dbraw/zinc/51/76/28/471517628.db2.gz DGHKNIAXGVIADG-GOSISDBHSA-N 1 3 332.492 2.244 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(F)c(F)c1 ZINC000663814976 471530414 /nfs/dbraw/zinc/53/04/14/471530414.db2.gz LPAXXTXJCMYHJD-ZDUSSCGKSA-N 1 3 342.434 2.036 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(F)c(F)c1 ZINC000663814976 471530420 /nfs/dbraw/zinc/53/04/20/471530420.db2.gz LPAXXTXJCMYHJD-ZDUSSCGKSA-N 1 3 342.434 2.036 10 0 EEAEHO C[C@H](CCNC(=O)N[C@@H](CN)C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000655923456 471542444 /nfs/dbraw/zinc/54/24/44/471542444.db2.gz YOZNWRVBFRNQQC-OCCSQVGLSA-N 1 3 346.397 2.086 10 0 EEAEHO C[C@H](CCNC(=O)N[C@@H](CN)C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000655923456 471542448 /nfs/dbraw/zinc/54/24/48/471542448.db2.gz YOZNWRVBFRNQQC-OCCSQVGLSA-N 1 3 346.397 2.086 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000659437848 471628181 /nfs/dbraw/zinc/62/81/81/471628181.db2.gz JWMYNCWMBRDZAV-GOSISDBHSA-N 1 3 346.519 2.496 10 0 EEAEHO CN(C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000661396802 471741186 /nfs/dbraw/zinc/74/11/86/471741186.db2.gz MHIYRRJLPDOXFP-DLBZAZTESA-N 1 3 332.492 2.461 10 0 EEAEHO CN(C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000661396802 471741191 /nfs/dbraw/zinc/74/11/91/471741191.db2.gz MHIYRRJLPDOXFP-DLBZAZTESA-N 1 3 332.492 2.461 10 0 EEAEHO CCN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(C)C1 ZINC000664578151 471800368 /nfs/dbraw/zinc/80/03/68/471800368.db2.gz YBINZBDYARVDDA-GOSISDBHSA-N 1 3 345.491 2.034 10 0 EEAEHO CCc1cnccc1[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664583835 471801857 /nfs/dbraw/zinc/80/18/57/471801857.db2.gz ZMNYZLZUMLAVSX-JKSUJKDBSA-N 1 3 349.523 2.276 10 0 EEAEHO CCc1cnccc1[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664583835 471801862 /nfs/dbraw/zinc/80/18/62/471801862.db2.gz ZMNYZLZUMLAVSX-JKSUJKDBSA-N 1 3 349.523 2.276 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CC(C(C)(C)C)C1 ZINC000664962041 471910815 /nfs/dbraw/zinc/91/08/15/471910815.db2.gz GJNNTOJLGAXAJU-FHERZECASA-N 1 3 326.529 2.382 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CC(C(C)(C)C)C1 ZINC000664962041 471910817 /nfs/dbraw/zinc/91/08/17/471910817.db2.gz GJNNTOJLGAXAJU-FHERZECASA-N 1 3 326.529 2.382 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)C1CCC1 ZINC000665023861 471927234 /nfs/dbraw/zinc/92/72/34/471927234.db2.gz LVVUFMZZOKVOCJ-HNNXBMFYSA-N 1 3 326.529 2.384 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)C1CCC1 ZINC000665023861 471927240 /nfs/dbraw/zinc/92/72/40/471927240.db2.gz LVVUFMZZOKVOCJ-HNNXBMFYSA-N 1 3 326.529 2.384 10 0 EEAEHO CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000668012679 471977925 /nfs/dbraw/zinc/97/79/25/471977925.db2.gz HZACQIGMPJAVMV-PMACEKPBSA-N 1 3 343.515 2.494 10 0 EEAEHO CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000668012679 471977928 /nfs/dbraw/zinc/97/79/28/471977928.db2.gz HZACQIGMPJAVMV-PMACEKPBSA-N 1 3 343.515 2.494 10 0 EEAEHO CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000665367490 472023218 /nfs/dbraw/zinc/02/32/18/472023218.db2.gz YQVQZIJPIKGJMX-KRWDZBQOSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC=C(c2ccco2)C1 ZINC000665762936 472177906 /nfs/dbraw/zinc/17/79/06/472177906.db2.gz VEALOTYXJOVWBH-INIZCTEOSA-N 1 3 348.491 2.350 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC=C(c2ccco2)C1 ZINC000665762936 472177912 /nfs/dbraw/zinc/17/79/12/472177912.db2.gz VEALOTYXJOVWBH-INIZCTEOSA-N 1 3 348.491 2.350 10 0 EEAEHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)C1([NH2+]C2CC2)CCC1 ZINC000662684444 472205631 /nfs/dbraw/zinc/20/56/31/472205631.db2.gz YXMALJIOGJZVET-UHFFFAOYSA-N 1 3 343.471 2.257 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000668660943 472213877 /nfs/dbraw/zinc/21/38/77/472213877.db2.gz IINKZMAEDVUZOD-QLFBSQMISA-N 1 3 336.505 2.182 10 0 EEAEHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)C1([NH2+]C2CC2)CCC1 ZINC000662736452 472229197 /nfs/dbraw/zinc/22/91/97/472229197.db2.gz HKCUCKFNJWASDL-SFHVURJKSA-N 1 3 327.472 2.442 10 0 EEAEHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000629545018 485732276 /nfs/dbraw/zinc/73/22/76/485732276.db2.gz PCUOSXOERLDRDQ-LUXYFRNMSA-N 1 3 341.455 2.324 10 0 EEAEHO CC[C@@H]([NH2+]C[C@H](C)CN1CCN(CC)CC1)c1cccc(OC)n1 ZINC000924953176 681919345 /nfs/dbraw/zinc/91/93/45/681919345.db2.gz QAVDNNMOUYWKEH-DLBZAZTESA-N 1 3 334.508 2.405 10 0 EEAEHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CC[C@H](Cc2ccccc2)C1 ZINC001772526451 1176884245 /nfs/dbraw/zinc/88/42/45/1176884245.db2.gz PFVMIBVZZWAMEU-QZTJIDSGSA-N 1 3 325.460 2.267 10 0 EEAEHO CN(CC[NH2+]Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCCN1C ZINC001691277752 1177811074 /nfs/dbraw/zinc/81/10/74/1177811074.db2.gz IIVLBDAWFLGAFG-OAHLLOKOSA-N 1 3 343.393 2.348 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCCCF)C1 ZINC001481093275 1179722959 /nfs/dbraw/zinc/72/29/59/1179722959.db2.gz WUACYAHLEUMEKX-IRXDYDNUSA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC001481093275 1179722965 /nfs/dbraw/zinc/72/29/65/1179722965.db2.gz WUACYAHLEUMEKX-IRXDYDNUSA-N 1 3 327.488 2.437 10 0 EEAEHO COCCCN1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001267628708 1180032094 /nfs/dbraw/zinc/03/20/94/1180032094.db2.gz HWTJTWWBJPMVNQ-KRWDZBQOSA-N 1 3 339.524 2.116 10 0 EEAEHO CN(CCNCc1cc(F)cc(F)c1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001481242721 1180418177 /nfs/dbraw/zinc/41/81/77/1180418177.db2.gz UHFBFAVWALLEEG-QGZVFWFLSA-N 1 3 339.430 2.387 10 0 EEAEHO CN(CCNCc1cc(F)cc(F)c1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001481242721 1180418183 /nfs/dbraw/zinc/41/81/83/1180418183.db2.gz UHFBFAVWALLEEG-QGZVFWFLSA-N 1 3 339.430 2.387 10 0 EEAEHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(CCCCC(F)(F)F)C1 ZINC001267776819 1180506522 /nfs/dbraw/zinc/50/65/22/1180506522.db2.gz GGRHFVWKUURGDX-KBPBESRZSA-N 1 3 335.414 2.203 10 0 EEAEHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCCCC(F)(F)F)C1 ZINC001267776819 1180506528 /nfs/dbraw/zinc/50/65/28/1180506528.db2.gz GGRHFVWKUURGDX-KBPBESRZSA-N 1 3 335.414 2.203 10 0 EEAEHO CC(=O)NC(C)(C)C(=O)N1CC2CCC(C1)[NH+]2Cc1ccc(C)cc1 ZINC001481384418 1181171734 /nfs/dbraw/zinc/17/17/34/1181171734.db2.gz VOLQYCVJOHBUPZ-HDICACEKSA-N 1 3 343.471 2.085 10 0 EEAEHO C[C@@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)CN(C)C1CCC1 ZINC001268068076 1181664374 /nfs/dbraw/zinc/66/43/74/1181664374.db2.gz JMYPOMJFBYKUQR-HNNXBMFYSA-N 1 3 335.467 2.289 10 0 EEAEHO C[C@@H](CC[NH2+]C[C@H]1CCCCO1)NC(=O)c1cccc(CN(C)C)c1 ZINC001268427372 1182596145 /nfs/dbraw/zinc/59/61/45/1182596145.db2.gz WNILCEOZFKNOSS-QFBILLFUSA-N 1 3 347.503 2.415 10 0 EEAEHO C[NH+](C)CC1(C(=O)NC2(CNCCF)CCCC2)CCCCC1 ZINC001481900827 1182915234 /nfs/dbraw/zinc/91/52/34/1182915234.db2.gz DJZPLKMJWNGTBR-UHFFFAOYSA-N 1 3 327.488 2.487 10 0 EEAEHO CCN(CC[NH2+]CC1CCOCC1)C(=O)[C@H]1CCCCN1C(C)C ZINC001268482702 1182943651 /nfs/dbraw/zinc/94/36/51/1182943651.db2.gz WEAVWPOXUJQPSU-GOSISDBHSA-N 1 3 339.524 2.114 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@](C)(CNCc1cc(F)ccc1F)C1CC1 ZINC001481941959 1183001550 /nfs/dbraw/zinc/00/15/50/1183001550.db2.gz YSFZZYGSGKJMTN-SFHVURJKSA-N 1 3 339.430 2.291 10 0 EEAEHO COc1cccc(CNC/C=C\CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC001268628784 1183552428 /nfs/dbraw/zinc/55/24/28/1183552428.db2.gz PYUBZYBNNDUESH-OSNZYPHYSA-N 1 3 345.487 2.330 10 0 EEAEHO C[C@@H](CNCc1ccc(Cl)nc1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268690644 1183614254 /nfs/dbraw/zinc/61/42/54/1183614254.db2.gz SKNBNWYGHORCPX-DZGCQCFKSA-N 1 3 338.883 2.204 10 0 EEAEHO C[C@@H](CNCc1ccc(Cl)nc1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001268690644 1183614256 /nfs/dbraw/zinc/61/42/56/1183614256.db2.gz SKNBNWYGHORCPX-DZGCQCFKSA-N 1 3 338.883 2.204 10 0 EEAEHO Cc1nn(C(C)C)cc1CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482284180 1185062569 /nfs/dbraw/zinc/06/25/69/1185062569.db2.gz VTSGWGUZBHSUHM-YXJHDRRASA-N 1 3 349.523 2.049 10 0 EEAEHO Cc1nn(C(C)C)cc1CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482284180 1185062576 /nfs/dbraw/zinc/06/25/76/1185062576.db2.gz VTSGWGUZBHSUHM-YXJHDRRASA-N 1 3 349.523 2.049 10 0 EEAEHO C[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C[NH2+]C/C=C\Cl ZINC001270517588 1185142630 /nfs/dbraw/zinc/14/26/30/1185142630.db2.gz RFEVPCJQYCEETE-UQXCZLMFSA-N 1 3 333.879 2.293 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccns1 ZINC001482461346 1185926535 /nfs/dbraw/zinc/92/65/35/1185926535.db2.gz HNBFNISOUGEPFV-OAHLLOKOSA-N 1 3 338.521 2.346 10 0 EEAEHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)C[C@H]1CC(C)(C)CO1 ZINC001482651859 1187488042 /nfs/dbraw/zinc/48/80/42/1187488042.db2.gz LCURAHSUBNEDQP-SJORKVTESA-N 1 3 339.524 2.066 10 0 EEAEHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)C[C@H]1CC(C)(C)CO1 ZINC001482651859 1187488045 /nfs/dbraw/zinc/48/80/45/1187488045.db2.gz LCURAHSUBNEDQP-SJORKVTESA-N 1 3 339.524 2.066 10 0 EEAEHO C[C@H](C[NH2+]Cc1ccccc1OC1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001483135370 1188673235 /nfs/dbraw/zinc/67/32/35/1188673235.db2.gz AYXXYIFMNCTWLN-OAHLLOKOSA-N 1 3 345.487 2.306 10 0 EEAEHO C[C@@H](C[NH2+]CC[C@H]1CC1(Cl)Cl)NC(=O)C1(N(C)C)CCC1 ZINC001483234561 1189721920 /nfs/dbraw/zinc/72/19/20/1189721920.db2.gz TUJZJKZIXCBDMC-RYUDHWBXSA-N 1 3 336.307 2.149 10 0 EEAEHO CO[C@H](C[NH2+]C[C@H](C)NC(=O)C(C)(C)N1CCCC1)C1CCCC1 ZINC001483254277 1190282359 /nfs/dbraw/zinc/28/23/59/1190282359.db2.gz AZPFLFDYPYQUDU-DOTOQJQBSA-N 1 3 339.524 2.160 10 0 EEAEHO CCN(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cnc(C)o1)c1ccccc1 ZINC001483282608 1190305334 /nfs/dbraw/zinc/30/53/34/1190305334.db2.gz UJZQNJIIONWMJO-KSSFIOAISA-N 1 3 344.459 2.270 10 0 EEAEHO CN(CCC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)CN1CCCC1 ZINC001483509833 1190524199 /nfs/dbraw/zinc/52/41/99/1190524199.db2.gz PJZPAWVTGGMYJP-UHFFFAOYSA-N 1 3 328.460 2.202 10 0 EEAEHO C[NH+](C)CCC(=O)NC1(CNCc2ccc(F)cn2)CCCCC1 ZINC001409787247 1190616758 /nfs/dbraw/zinc/61/67/58/1190616758.db2.gz RZVWNWZLWGECPN-UHFFFAOYSA-N 1 3 336.455 2.081 10 0 EEAEHO C[C@H](NCc1c(F)cccc1F)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484348436 1191313376 /nfs/dbraw/zinc/31/33/76/1191313376.db2.gz UYIBYNYRSATIHP-KBPBESRZSA-N 1 3 339.430 2.243 10 0 EEAEHO CC1CCN(CC(=O)N2CC[C@@H](CC[NH2+]C/C=C\Cl)C2)CC1 ZINC001484543628 1191403443 /nfs/dbraw/zinc/40/34/43/1191403443.db2.gz OCQQEXPVUBNHQW-CGGYKVPPSA-N 1 3 327.900 2.299 10 0 EEAEHO CC1CCN(CC(=O)N2CC[C@H](CC[NH2+]Cc3cccnc3)C2)CC1 ZINC001484544704 1191407416 /nfs/dbraw/zinc/40/74/16/1191407416.db2.gz ZQXFNVDGJQQKLO-SFHVURJKSA-N 1 3 344.503 2.142 10 0 EEAEHO C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)NCc1cncc(F)c1 ZINC001485161273 1191674706 /nfs/dbraw/zinc/67/47/06/1191674706.db2.gz BIZUOXRVQSWTAJ-LSDHHAIUSA-N 1 3 348.466 2.080 10 0 EEAEHO Cc1cc(C)cc(OCCN(C)[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001485386089 1191774211 /nfs/dbraw/zinc/77/42/11/1191774211.db2.gz TYBKXHUMHSDQSN-ROUUACIJSA-N 1 3 347.503 2.070 10 0 EEAEHO Cc1cc(C)cc(OCCN(C)[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001485386089 1191774213 /nfs/dbraw/zinc/77/42/13/1191774213.db2.gz TYBKXHUMHSDQSN-ROUUACIJSA-N 1 3 347.503 2.070 10 0 EEAEHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CC1(C)C ZINC001486244919 1193770832 /nfs/dbraw/zinc/77/08/32/1193770832.db2.gz PKEDVVPYRUQCEV-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]3C2)c(C)s1 ZINC001410158127 1197574289 /nfs/dbraw/zinc/57/42/89/1197574289.db2.gz MZBBRKYDUIEEDG-NNZMDNLPSA-N 1 3 349.544 2.499 10 0 EEAEHO Cc1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]3C2)c(C)s1 ZINC001410158127 1197574291 /nfs/dbraw/zinc/57/42/91/1197574291.db2.gz MZBBRKYDUIEEDG-NNZMDNLPSA-N 1 3 349.544 2.499 10 0 EEAEHO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)CN(C)C(C)C)CCO2)cc1 ZINC001410162782 1197576263 /nfs/dbraw/zinc/57/62/63/1197576263.db2.gz WWPDMNIBHACDFR-PKOBYXMFSA-N 1 3 347.503 2.041 10 0 EEAEHO CN(C)Cc1cccc(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000871674155 1197825449 /nfs/dbraw/zinc/82/54/49/1197825449.db2.gz SQZQULAFZCTEDE-GXTWGEPZSA-N 1 3 344.381 2.349 10 0 EEAEHO C[C@]12C[NH2+]C[C@H]1CN(CCCCCn1nnc(-c3ccccc3)n1)C2 ZINC000872153326 1198060176 /nfs/dbraw/zinc/06/01/76/1198060176.db2.gz JAWYLNVCAWVOLI-PKOBYXMFSA-N 1 3 340.475 2.052 10 0 EEAEHO Cn1ncc2cc(CNCc3cccc(OCC[NH+](C)C)c3)cnc21 ZINC000865418148 1198207271 /nfs/dbraw/zinc/20/72/71/1198207271.db2.gz XAXWRALYTXQLEL-UHFFFAOYSA-N 1 3 339.443 2.199 10 0 EEAEHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000811460997 1200072164 /nfs/dbraw/zinc/07/21/64/1200072164.db2.gz DLVZZLKZDSCXBS-SFHVURJKSA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000811460997 1200072173 /nfs/dbraw/zinc/07/21/73/1200072173.db2.gz DLVZZLKZDSCXBS-SFHVURJKSA-N 1 3 327.488 2.437 10 0 EEAEHO CC1([NH+]2CCCC2)CCC(NC(=O)N2CC[C@H](N3CC=CC3)C2)CC1 ZINC000925046035 1206064757 /nfs/dbraw/zinc/06/47/57/1206064757.db2.gz NNMVFJJAFMIBPK-FDYSRKEFSA-N 1 3 346.519 2.439 10 0 EEAEHO O=C1O[C@@H](CN[C@H]2CCCOc3ccc(F)cc32)CC12CC[NH2+]CC2 ZINC000925849198 1206160057 /nfs/dbraw/zinc/16/00/57/1206160057.db2.gz BRBLQIRRLXWZGI-ZBFHGGJFSA-N 1 3 348.418 2.314 10 0 EEAEHO COC(=O)c1ccc(CN2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c2ncccc12 ZINC000931442898 1207382220 /nfs/dbraw/zinc/38/22/20/1207382220.db2.gz PKJRVIKHJPBHHA-GOEBONIOSA-N 1 3 339.439 2.405 10 0 EEAEHO COC(=O)c1ccc(CN2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c2ncccc12 ZINC000931442898 1207382223 /nfs/dbraw/zinc/38/22/23/1207382223.db2.gz PKJRVIKHJPBHHA-GOEBONIOSA-N 1 3 339.439 2.405 10 0 EEAEHO C[N@@H+]1CC[C@@](O)(CN[C@H](CCc2cccnc2)c2ccccc2)C1 ZINC000902954412 1239182665 /nfs/dbraw/zinc/18/26/65/1239182665.db2.gz VPXOGRBCZXKVFT-WOJBJXKFSA-N 1 3 325.456 2.412 10 0 EEAEHO C[N@H+]1CC[C@@](O)(CN[C@H](CCc2cccnc2)c2ccccc2)C1 ZINC000902954412 1239182668 /nfs/dbraw/zinc/18/26/68/1239182668.db2.gz VPXOGRBCZXKVFT-WOJBJXKFSA-N 1 3 325.456 2.412 10 0 EEAEHO [NH3+]CCN(Cc1nc2c(s1)CNCC2)Cc1cccc(Cl)c1 ZINC000903954367 1242690981 /nfs/dbraw/zinc/69/09/81/1242690981.db2.gz RTEKENZWKFRPGJ-UHFFFAOYSA-N 1 3 336.892 2.403 10 0 EEAEHO C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2CNCCF)CCCCC1 ZINC001491258037 1258856016 /nfs/dbraw/zinc/85/60/16/1258856016.db2.gz HJMZPVXQHCZNSH-MRXNPFEDSA-N 1 3 327.488 2.439 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001488791360 1290234302 /nfs/dbraw/zinc/23/43/02/1290234302.db2.gz ANSGSLFWECJVKF-LESCRADOSA-N 1 3 338.455 2.433 10 0 EEAEHO COc1ccccc1/C(C)=C/C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346151 1293183805 /nfs/dbraw/zinc/18/38/05/1293183805.db2.gz PLAVJQNCHVARJL-ZQHZRZASSA-N 1 3 347.503 2.487 10 0 EEAEHO COc1ccccc1/C(C)=C/C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346151 1293183813 /nfs/dbraw/zinc/18/38/13/1293183813.db2.gz PLAVJQNCHVARJL-ZQHZRZASSA-N 1 3 347.503 2.487 10 0 EEAEHO CCO[C@H](CN[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)C[NH+](C)C ZINC000926964491 1296972640 /nfs/dbraw/zinc/97/26/40/1296972640.db2.gz XJOVWDKVPPPOQF-CABCVRRESA-N 1 3 343.512 2.331 10 0 EEAEHO CC(C)[C@H](C(=O)N1CC[C@](C)(C[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001278573397 1317262143 /nfs/dbraw/zinc/26/21/43/1317262143.db2.gz WDOYBXGQLNRMCO-UKRRQHHQSA-N 1 3 337.430 2.353 10 0 EEAEHO Cc1ncc(CN[C@@H](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001279039408 1319064026 /nfs/dbraw/zinc/06/40/26/1319064026.db2.gz VOLQYQIAPREBHV-HOCLYGCPSA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NCc2ccccc2C[NH3+])cc(Cl)n1 ZINC001261491688 1322114561 /nfs/dbraw/zinc/11/45/61/1322114561.db2.gz CRXJVZYEXRSDMO-OAHLLOKOSA-N 1 3 332.835 2.208 10 0 EEAEHO COCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001264195289 1322663044 /nfs/dbraw/zinc/66/30/44/1322663044.db2.gz PZVIERRXMQVNSV-IAGOWNOFSA-N 1 3 341.540 2.216 10 0 EEAEHO COCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001264195289 1322663049 /nfs/dbraw/zinc/66/30/49/1322663049.db2.gz PZVIERRXMQVNSV-IAGOWNOFSA-N 1 3 341.540 2.216 10 0 EEAEHO CN(C)Cc1cccc(C(=O)NCCC[N@H+](C)C[C@@H]2CCCOC2)c1 ZINC001265073145 1322907878 /nfs/dbraw/zinc/90/78/78/1322907878.db2.gz RPZGFVSYNVBYNS-SFHVURJKSA-N 1 3 347.503 2.227 10 0 EEAEHO CN(C)Cc1cccc(C(=O)NCCC[N@@H+](C)C[C@@H]2CCCOC2)c1 ZINC001265073145 1322907882 /nfs/dbraw/zinc/90/78/82/1322907882.db2.gz RPZGFVSYNVBYNS-SFHVURJKSA-N 1 3 347.503 2.227 10 0 EEAEHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001265494241 1323182537 /nfs/dbraw/zinc/18/25/37/1323182537.db2.gz KUKGGVLMJUWYNF-WDSOQIARSA-N 1 3 329.488 2.198 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CCc2cccs2)C1)N(C)C ZINC001265613425 1323267672 /nfs/dbraw/zinc/26/76/72/1323267672.db2.gz OKXZDPYYJXBKNY-NVXWUHKLSA-N 1 3 337.533 2.459 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CC[NH2+]CCCc2ccsc2)C1 ZINC001280207827 1324114857 /nfs/dbraw/zinc/11/48/57/1324114857.db2.gz OSNYPZIZIBYHCG-OAHLLOKOSA-N 1 3 346.500 2.475 10 0 EEAEHO C[NH+](C)CCCCC(=O)N1CC2(C1)CCN(C/C=C\Cl)CC2 ZINC001280394529 1324197621 /nfs/dbraw/zinc/19/76/21/1324197621.db2.gz PTLBXRIQCDWFJR-UITAMQMPSA-N 1 3 327.900 2.395 10 0 EEAEHO CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001316624922 1325962149 /nfs/dbraw/zinc/96/21/49/1325962149.db2.gz PINWJMNGAUCYOT-DAYGRLMNSA-N 1 3 327.488 2.483 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CCCF)C1 ZINC001284735987 1326688951 /nfs/dbraw/zinc/68/89/51/1326688951.db2.gz DXYCDZFUXWLCON-STQMWFEESA-N 1 3 341.393 2.055 10 0 EEAEHO Cc1nc(C)c(CN[C@@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001492067499 1330440834 /nfs/dbraw/zinc/44/08/34/1330440834.db2.gz IIJWCMYJHMVHTA-ZDUSSCGKSA-N 1 3 336.480 2.150 10 0 EEAEHO Cc1oncc1C[N@H+]1CCC[C@@H]1CCCNC(=O)CN(C)C1CCC1 ZINC001492159294 1331022960 /nfs/dbraw/zinc/02/29/60/1331022960.db2.gz XLCCUKPHKPZTOI-SFHVURJKSA-N 1 3 348.491 2.328 10 0 EEAEHO Cc1oncc1C[N@@H+]1CCC[C@@H]1CCCNC(=O)CN(C)C1CCC1 ZINC001492159294 1331022966 /nfs/dbraw/zinc/02/29/66/1331022966.db2.gz XLCCUKPHKPZTOI-SFHVURJKSA-N 1 3 348.491 2.328 10 0 EEAEHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CC[C@H]2CCCO2)CCC1 ZINC001317191041 1332123198 /nfs/dbraw/zinc/12/31/98/1332123198.db2.gz WJYGJZWOSQLVPG-IAGOWNOFSA-N 1 3 337.508 2.011 10 0 EEAEHO CN(CCNCc1cncs1)C(=O)c1ccccc1CC[NH+](C)C ZINC001317614106 1332328138 /nfs/dbraw/zinc/32/81/38/1332328138.db2.gz CBHCSQVXPYHSDZ-UHFFFAOYSA-N 1 3 346.500 2.109 10 0 EEAEHO CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCN(CCOCC)C1 ZINC001317762872 1332400641 /nfs/dbraw/zinc/40/06/41/1332400641.db2.gz DHIHPJCPMYFVFK-BZSNNMDCSA-N 1 3 339.524 2.066 10 0 EEAEHO CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCN(CCOCC)C1 ZINC001317762872 1332400643 /nfs/dbraw/zinc/40/06/43/1332400643.db2.gz DHIHPJCPMYFVFK-BZSNNMDCSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)NC2(C[NH2+]CCF)CCCC2)C1 ZINC001318653559 1332573142 /nfs/dbraw/zinc/57/31/42/1332573142.db2.gz ICWOTYWKOGTXLJ-QGZVFWFLSA-N 1 3 331.451 2.187 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@@H](CC[NH2+]Cc2conc2C)C1 ZINC001318851590 1332611282 /nfs/dbraw/zinc/61/12/82/1332611282.db2.gz TXLYAAJINJGZBY-INIZCTEOSA-N 1 3 336.480 2.043 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cncs1 ZINC001319769104 1332762987 /nfs/dbraw/zinc/76/29/87/1332762987.db2.gz JTGFMRLFRPJQGU-GDBMZVCRSA-N 1 3 336.505 2.098 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+]Cc1cnc(Cl)s1 ZINC001320644018 1332927637 /nfs/dbraw/zinc/92/76/37/1332927637.db2.gz JANDYIISYUGHKL-NSHDSACASA-N 1 3 332.901 2.121 10 0 EEAEHO Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)N(C)C ZINC001321232913 1333050555 /nfs/dbraw/zinc/05/05/55/1333050555.db2.gz NIOHDDNPBJZRAW-IPLHWJFFSA-N 1 3 335.467 2.482 10 0 EEAEHO Cc1cc(C)cc(C[NH2+]C/C=C/CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001321248962 1333054768 /nfs/dbraw/zinc/05/47/68/1333054768.db2.gz FTLAMXKKWLLRPX-APHBUQMISA-N 1 3 329.488 2.407 10 0 EEAEHO COCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001322373592 1333255593 /nfs/dbraw/zinc/25/55/93/1333255593.db2.gz YNVARAHIJRHQNJ-RTBURBONSA-N 1 3 347.503 2.273 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCCNCc2conc2C)C1 ZINC001322656708 1333301762 /nfs/dbraw/zinc/30/17/62/1333301762.db2.gz ASJCOSLGJPBQGV-INIZCTEOSA-N 1 3 336.480 2.043 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCCNCc2conc2C)C1 ZINC001322656708 1333301765 /nfs/dbraw/zinc/30/17/65/1333301765.db2.gz ASJCOSLGJPBQGV-INIZCTEOSA-N 1 3 336.480 2.043 10 0 EEAEHO COCCCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H](C)C1 ZINC001324092123 1333607555 /nfs/dbraw/zinc/60/75/55/1333607555.db2.gz YNPCMXLMQRRZRL-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCCC(F)(F)F)C[C@@H]2C1)N(C)C ZINC001325773111 1333958119 /nfs/dbraw/zinc/95/81/19/1333958119.db2.gz UWDCQQJYIFVYDX-ZNMIVQPWSA-N 1 3 349.441 2.449 10 0 EEAEHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCCC(F)(F)F)C[C@@H]2C1)N(C)C ZINC001325773111 1333958124 /nfs/dbraw/zinc/95/81/24/1333958124.db2.gz UWDCQQJYIFVYDX-ZNMIVQPWSA-N 1 3 349.441 2.449 10 0 EEAEHO CC[C@@H](C(=O)NC1(C[NH2+]CC[C@@H]2CCCO2)CCCCC1)N(C)C ZINC001329846393 1334726209 /nfs/dbraw/zinc/72/62/09/1334726209.db2.gz RZPSLDXLEHTBTI-IRXDYDNUSA-N 1 3 339.524 2.304 10 0 EEAEHO Cc1nc(C)c(CNCCC[C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)o1 ZINC001330822615 1334909798 /nfs/dbraw/zinc/90/97/98/1334909798.db2.gz VBSUVSACBBHLCB-GUYCJALGSA-N 1 3 348.491 2.008 10 0 EEAEHO C[C@@H]1[C@H](NCc2ccccn2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001331943311 1335683869 /nfs/dbraw/zinc/68/38/69/1335683869.db2.gz HXNATRGANGQTNY-IEBWSBKVSA-N 1 3 344.503 2.427 10 0 EEAEHO CC[C@@H](C(=O)NCC1=CC[N@H+](CC[C@H]2CCCCO2)CC1)N(C)C ZINC001333433171 1336045984 /nfs/dbraw/zinc/04/59/84/1336045984.db2.gz KBNHNVJZMKPDBO-MSOLQXFVSA-N 1 3 337.508 2.034 10 0 EEAEHO CC[C@@H](C(=O)NCC1=CC[N@@H+](CC[C@H]2CCCCO2)CC1)N(C)C ZINC001333433171 1336045987 /nfs/dbraw/zinc/04/59/87/1336045987.db2.gz KBNHNVJZMKPDBO-MSOLQXFVSA-N 1 3 337.508 2.034 10 0 EEAEHO CN(C)Cc1cccc(C(=O)NC2(C[NH2+]CCCO)CCCCC2)c1 ZINC001506531903 1342244446 /nfs/dbraw/zinc/24/44/46/1342244446.db2.gz QRJWSEHZEAQJCR-UHFFFAOYSA-N 1 3 347.503 2.153 10 0 EEAEHO CN(C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C)C[C@@H]1CCCCO1 ZINC001570543853 1343080349 /nfs/dbraw/zinc/08/03/49/1343080349.db2.gz OGBWDEMEGBCJIH-ROUUACIJSA-N 1 3 339.524 2.210 10 0 EEAEHO CCCCOCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001571464161 1343213880 /nfs/dbraw/zinc/21/38/80/1343213880.db2.gz IFFOGPABFPIQAU-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO C[NH+](C)CCC(=O)N1C[C@H](NCc2ccnc(Cl)c2)C(C)(C)C1 ZINC001571564212 1343238568 /nfs/dbraw/zinc/23/85/68/1343238568.db2.gz ZLVJPLKGGCMAGM-AWEZNQCLSA-N 1 3 338.883 2.013 10 0 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/nfs/dbraw/zinc/22/16/74/276221674.db2.gz GWKDRMBOGDJHGP-NLWGTHIKSA-N 1 3 331.504 2.380 10 0 EEAEHO C[NH+](C)[C@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000170863109 289382861 /nfs/dbraw/zinc/38/28/61/289382861.db2.gz WUXCPMNVXACLIK-LSDHHAIUSA-N 1 3 336.505 2.231 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293845038 293308667 /nfs/dbraw/zinc/30/86/67/293308667.db2.gz CUTQWMVJQQJKEE-HXUWFJFHSA-N 1 3 345.487 2.185 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293845038 293308668 /nfs/dbraw/zinc/30/86/68/293308668.db2.gz CUTQWMVJQQJKEE-HXUWFJFHSA-N 1 3 345.487 2.185 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@@H](NCCNC(=O)c2ccccc2)[C@@H](C)C1 ZINC000343150601 312265706 /nfs/dbraw/zinc/26/57/06/312265706.db2.gz LFBDJQDEIMYOAO-PKOBYXMFSA-N 1 3 347.503 2.143 10 0 EEAEHO CCOCCC[N@H+]1CC[C@@H](NCCNC(=O)c2ccccc2)[C@@H](C)C1 ZINC000343150601 312265707 /nfs/dbraw/zinc/26/57/07/312265707.db2.gz LFBDJQDEIMYOAO-PKOBYXMFSA-N 1 3 347.503 2.143 10 0 EEAEHO CC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000397569851 312446812 /nfs/dbraw/zinc/44/68/12/312446812.db2.gz XVBPIOYMBJRFPP-RTBURBONSA-N 1 3 332.488 2.418 10 0 EEAEHO O=C(NCCNc1cc[nH+]cc1)c1cccc(CN2CCCCC2)c1 ZINC000411536058 312546809 /nfs/dbraw/zinc/54/68/09/312546809.db2.gz SKQYVSLPAQTMOU-UHFFFAOYSA-N 1 3 338.455 2.331 10 0 EEAEHO C[NH2+]C[C@@H](C)CNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000416893174 313351679 /nfs/dbraw/zinc/35/16/79/313351679.db2.gz BQJKIFUEWBQFQX-MRXNPFEDSA-N 1 3 332.492 2.327 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418499675 313830451 /nfs/dbraw/zinc/83/04/51/313830451.db2.gz MAZNUNJSHJKARS-BVGQSLNGSA-N 1 3 326.444 2.137 10 0 EEAEHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000527798920 317265706 /nfs/dbraw/zinc/26/57/06/317265706.db2.gz JDGCRNCTOQHESV-FUHWJXTLSA-N 1 3 336.524 2.425 10 0 EEAEHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000527798920 317265710 /nfs/dbraw/zinc/26/57/10/317265710.db2.gz JDGCRNCTOQHESV-FUHWJXTLSA-N 1 3 336.524 2.425 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CCN(C)c2ccncc2)C1 ZINC000541856484 318112281 /nfs/dbraw/zinc/11/22/81/318112281.db2.gz JJHBVIXGBXKLKJ-QGZVFWFLSA-N 1 3 332.492 2.392 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)CCN(C)c2ccncc2)C1 ZINC000541856484 318112283 /nfs/dbraw/zinc/11/22/83/318112283.db2.gz JJHBVIXGBXKLKJ-QGZVFWFLSA-N 1 3 332.492 2.392 10 0 EEAEHO CN(CCC(=O)Nc1cccc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000542784665 318139916 /nfs/dbraw/zinc/13/99/16/318139916.db2.gz UQKGMUGRTCOKIL-UHFFFAOYSA-N 1 3 342.443 2.487 10 0 EEAEHO CN(C)CCOc1cccc(NC(=O)CCN(C)c2cc[nH+]cc2)c1 ZINC000542784665 318139918 /nfs/dbraw/zinc/13/99/18/318139918.db2.gz UQKGMUGRTCOKIL-UHFFFAOYSA-N 1 3 342.443 2.487 10 0 EEAEHO CN(CCC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccncc1 ZINC000561500644 318845671 /nfs/dbraw/zinc/84/56/71/318845671.db2.gz RWSKBBYSJCSQFN-SFHVURJKSA-N 1 3 330.476 2.385 10 0 EEAEHO COc1ncccc1CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000566088808 319242708 /nfs/dbraw/zinc/24/27/08/319242708.db2.gz PYEYABPJMUFPEO-YLJYHZDGSA-N 1 3 339.439 2.478 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)N(C)C)cc1 ZINC000574741395 320052426 /nfs/dbraw/zinc/05/24/26/320052426.db2.gz AVRCQQLSNDKQPN-AZUAARDMSA-N 1 3 344.503 2.383 10 0 EEAEHO C[C@]1(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCCN1Cc1ccccc1 ZINC000581933273 324344121 /nfs/dbraw/zinc/34/41/21/324344121.db2.gz GEWHVMGSWXXOON-NLWGTHIKSA-N 1 3 344.503 2.468 10 0 EEAEHO CS[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1N1CCCC1 ZINC000356030617 465287451 /nfs/dbraw/zinc/28/74/51/465287451.db2.gz SWBFSDSRXVZMKV-GVDBMIGSSA-N 1 3 339.549 2.289 10 0 EEAEHO CS[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C[C@H]1N1CCCC1 ZINC000356030617 465287456 /nfs/dbraw/zinc/28/74/56/465287456.db2.gz SWBFSDSRXVZMKV-GVDBMIGSSA-N 1 3 339.549 2.289 10 0 EEAEHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H](N(C)C)C1)c1ccccc1 ZINC000113624846 462608303 /nfs/dbraw/zinc/60/83/03/462608303.db2.gz BXWSDJAOEOUMBR-RDJZCZTQSA-N 1 3 332.492 2.461 10 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/nfs/dbraw/zinc/67/33/54/463673354.db2.gz IRYBENNALSYGGJ-WMZOPIPTSA-N 1 3 344.503 2.405 10 0 EEAEHO CN(C)[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000170826897 463714835 /nfs/dbraw/zinc/71/48/35/463714835.db2.gz HTBBMTRHYHMZER-SFHVURJKSA-N 1 3 330.476 2.128 10 0 EEAEHO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000170829733 463715664 /nfs/dbraw/zinc/71/56/64/463715664.db2.gz SUSWMPCOESCJHC-ROUUACIJSA-N 1 3 330.476 2.169 10 0 EEAEHO CN(CCC[NH+](C)C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000185380672 463811768 /nfs/dbraw/zinc/81/17/68/463811768.db2.gz APVDPCQEGKVYNA-UHFFFAOYSA-N 1 3 332.492 2.028 10 0 EEAEHO CCN1CC[C@H]([N@H+](C)C[C@H](O)COc2cccc(C(C)=O)c2)[C@H](C)C1 ZINC000269657910 464049462 /nfs/dbraw/zinc/04/94/62/464049462.db2.gz SOKJOUOYIXJZPH-BPAFIMBUSA-N 1 3 348.487 2.291 10 0 EEAEHO CCN1CC[C@H]([N@@H+](C)C[C@H](O)COc2cccc(C(C)=O)c2)[C@H](C)C1 ZINC000269657910 464049469 /nfs/dbraw/zinc/04/94/69/464049469.db2.gz SOKJOUOYIXJZPH-BPAFIMBUSA-N 1 3 348.487 2.291 10 0 EEAEHO CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000263902970 464232695 /nfs/dbraw/zinc/23/26/95/464232695.db2.gz FBVLRDPXMUGEQP-MOPGFXCFSA-N 1 3 329.488 2.451 10 0 EEAEHO CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000263902970 464232701 /nfs/dbraw/zinc/23/27/01/464232701.db2.gz FBVLRDPXMUGEQP-MOPGFXCFSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@]1(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)CCCCN1 ZINC000180896649 464416872 /nfs/dbraw/zinc/41/68/72/464416872.db2.gz WCUYZSRFCFECPK-QFBILLFUSA-N 1 3 345.443 2.066 10 0 EEAEHO CC(C)[C@@H](CNC(=O)N1CCN2CCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000247491234 464685563 /nfs/dbraw/zinc/68/55/63/464685563.db2.gz LTDSWVYTWRTKIR-ZWKOTPCHSA-N 1 3 336.524 2.233 10 0 EEAEHO CCCC[N@H+](C)CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000340088212 465756039 /nfs/dbraw/zinc/75/60/39/465756039.db2.gz KIWKAJHGJMXEAE-ZWKOTPCHSA-N 1 3 332.492 2.463 10 0 EEAEHO CCCC[N@@H+](C)CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000340088212 465756046 /nfs/dbraw/zinc/75/60/46/465756046.db2.gz KIWKAJHGJMXEAE-ZWKOTPCHSA-N 1 3 332.492 2.463 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCN1CCCOCC1 ZINC000361336649 465916534 /nfs/dbraw/zinc/91/65/34/465916534.db2.gz RCGIVRRYINFZSK-UYAOXDASSA-N 1 3 331.504 2.209 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCN1CCCOCC1 ZINC000361336649 465916539 /nfs/dbraw/zinc/91/65/39/465916539.db2.gz RCGIVRRYINFZSK-UYAOXDASSA-N 1 3 331.504 2.209 10 0 EEAEHO CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000340300890 465969418 /nfs/dbraw/zinc/96/94/18/465969418.db2.gz FSIIBYHJNWKQBF-QZTJIDSGSA-N 1 3 330.476 2.169 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)NC2(CN(C)C)CCC2)CC1 ZINC000367003458 466066153 /nfs/dbraw/zinc/06/61/53/466066153.db2.gz GFFLWHPSZLSGLA-UHFFFAOYSA-N 1 3 330.476 2.207 10 0 EEAEHO CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000340539673 466160999 /nfs/dbraw/zinc/16/09/99/466160999.db2.gz TXCDWCVISLFJHV-QGZVFWFLSA-N 1 3 343.475 2.320 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000358014608 466387774 /nfs/dbraw/zinc/38/77/74/466387774.db2.gz NWVYDPDRPNXOAP-UHFFFAOYSA-N 1 3 333.476 2.041 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[N@@H+]1C ZINC000340857545 466388106 /nfs/dbraw/zinc/38/81/06/466388106.db2.gz HLVKDGSMQFJYIZ-NEWSRXKRSA-N 1 3 346.519 2.283 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[N@H+]1C ZINC000340857545 466388109 /nfs/dbraw/zinc/38/81/09/466388109.db2.gz HLVKDGSMQFJYIZ-NEWSRXKRSA-N 1 3 346.519 2.283 10 0 EEAEHO CN(Cc1cccc2c1CC[NH2+]C2)C[C@@H](O)COCc1ccccc1 ZINC000662252638 472043667 /nfs/dbraw/zinc/04/36/67/472043667.db2.gz CLMPYHQZPWQJHK-HXUWFJFHSA-N 1 3 340.467 2.342 10 0 EEAEHO C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000418333657 467094167 /nfs/dbraw/zinc/09/41/67/467094167.db2.gz FFVKPZCUYIYWPV-UHOSZYNNSA-N 1 3 344.503 2.290 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418548055 467126457 /nfs/dbraw/zinc/12/64/57/467126457.db2.gz JPMRTPDFTOTQMC-QRQLOZEOSA-N 1 3 344.503 2.290 10 0 EEAEHO CN(C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418764633 467156934 /nfs/dbraw/zinc/15/69/34/467156934.db2.gz KZIIUQPQMCKRCV-RCCFBDPRSA-N 1 3 330.476 2.030 10 0 EEAEHO Cc1nc2ccccn2c(=O)c1CCNC(C)(C)C[NH+]1CCCC1 ZINC000452100352 467322323 /nfs/dbraw/zinc/32/23/23/467322323.db2.gz ZKMQPBYOUIHAAB-UHFFFAOYSA-N 1 3 328.460 2.009 10 0 EEAEHO CC(C)C[C@@H]([NH3+])CN1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000414707216 467430928 /nfs/dbraw/zinc/43/09/28/467430928.db2.gz YPXJIOYZRGKZRE-HXUWFJFHSA-N 1 3 332.536 2.109 10 0 EEAEHO C[C@H](Cc1ccoc1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000449108185 467618291 /nfs/dbraw/zinc/61/82/91/467618291.db2.gz PYNNSEHHMOGHCC-QGZVFWFLSA-N 1 3 328.460 2.408 10 0 EEAEHO COC(=O)[C@@]1(OC)CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000599558515 469291825 /nfs/dbraw/zinc/29/18/25/469291825.db2.gz JYNNGKPQKNHKRT-HXUWFJFHSA-N 1 3 346.471 2.436 10 0 EEAEHO 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CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCOc1ccccc1C ZINC001483197525 1189083240 /nfs/dbraw/zinc/08/32/40/1189083240.db2.gz LXZVHVYQZHUVHZ-QZTJIDSGSA-N 1 3 347.503 2.343 10 0 EEAEHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001409343557 1189551045 /nfs/dbraw/zinc/55/10/45/1189551045.db2.gz BXABZTSWRASOTR-CHWSQXEVSA-N 1 3 339.430 2.432 10 0 EEAEHO CN(CCC[NH2+]CC[C@H]1CCCC1(F)F)C(=O)[C@@H]1CCCN1C ZINC001483456438 1190484912 /nfs/dbraw/zinc/48/49/12/1190484912.db2.gz WINZBZWBZNANNW-CABCVRRESA-N 1 3 331.451 2.344 10 0 EEAEHO CCCC[C@H](CNCc1cncc(C)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001409837580 1190668368 /nfs/dbraw/zinc/66/83/68/1190668368.db2.gz LBVVGPICAOPAQM-QZTJIDSGSA-N 1 3 332.492 2.106 10 0 EEAEHO CCCC[C@H](CNCc1cncc(C)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001409837580 1190668372 /nfs/dbraw/zinc/66/83/72/1190668372.db2.gz LBVVGPICAOPAQM-QZTJIDSGSA-N 1 3 332.492 2.106 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cnc(C)s2)C1)N(C)C ZINC001272615222 1190930804 /nfs/dbraw/zinc/93/08/04/1190930804.db2.gz AIAXPHQWTAQDDX-GOEBONIOSA-N 1 3 338.521 2.120 10 0 EEAEHO C[C@H](F)CC[NH2+]C1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001483767991 1191001777 /nfs/dbraw/zinc/00/17/77/1191001777.db2.gz SWKAMLKYRGWAGQ-SUMWQHHRSA-N 1 3 331.451 2.185 10 0 EEAEHO CCCN(C)CC(=O)NCC1([NH2+]CC2CCCCC2)CCOCC1 ZINC001484191348 1191262817 /nfs/dbraw/zinc/26/28/17/1191262817.db2.gz JZQGRKNPTFKWPJ-UHFFFAOYSA-N 1 3 339.524 2.164 10 0 EEAEHO COC[C@H](C)[N@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@H](C)C1 ZINC001484557157 1191413890 /nfs/dbraw/zinc/41/38/90/1191413890.db2.gz GBIANRPMEGSGBQ-IRXDYDNUSA-N 1 3 347.503 2.111 10 0 EEAEHO COC[C@H](C)[N@@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@H](C)C1 ZINC001484557157 1191413893 /nfs/dbraw/zinc/41/38/93/1191413893.db2.gz GBIANRPMEGSGBQ-IRXDYDNUSA-N 1 3 347.503 2.111 10 0 EEAEHO Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C)s1 ZINC001484910046 1191571118 /nfs/dbraw/zinc/57/11/18/1191571118.db2.gz RNLJOAZXZWXLCZ-WFASDCNBSA-N 1 3 338.521 2.037 10 0 EEAEHO C[NH+](C)CCC(=O)N1CCC(C)(NCc2c(F)cccc2F)CC1 ZINC001484920598 1191575804 /nfs/dbraw/zinc/57/58/04/1191575804.db2.gz DUMWLVCXBNBILE-UHFFFAOYSA-N 1 3 339.430 2.387 10 0 EEAEHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC001484994482 1191609780 /nfs/dbraw/zinc/60/97/80/1191609780.db2.gz XHHMKNSOHFPQAR-KKUMJFAQSA-N 1 3 333.467 2.492 10 0 EEAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001485157658 1191673346 /nfs/dbraw/zinc/67/33/46/1191673346.db2.gz UMSBCYVHAUELFP-QWHCGFSZSA-N 1 3 338.883 2.202 10 0 EEAEHO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)NCc1cncc(F)c1 ZINC001485179788 1191678927 /nfs/dbraw/zinc/67/89/27/1191678927.db2.gz JLWQCRWBDBWVOW-UONOGXRCSA-N 1 3 336.455 2.078 10 0 EEAEHO Cc1nn(C(C)C)cc1CN[C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001485189278 1191685922 /nfs/dbraw/zinc/68/59/22/1191685922.db2.gz KYEONLXGACFFOA-GJZGRUSLSA-N 1 3 349.523 2.097 10 0 EEAEHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)[C@@H](C)c1cccc(F)c1 ZINC001485375788 1191764625 /nfs/dbraw/zinc/76/46/25/1191764625.db2.gz AFULCCLXQNUXNL-GJZGRUSLSA-N 1 3 333.451 2.419 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccns1 ZINC001273051328 1194356012 /nfs/dbraw/zinc/35/60/12/1194356012.db2.gz BDNKTWQXUZHANC-GDBMZVCRSA-N 1 3 338.521 2.390 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1N(C)C ZINC001273151986 1197082657 /nfs/dbraw/zinc/08/26/57/1197082657.db2.gz UDZABGHBCRWADC-AWEZNQCLSA-N 1 3 343.475 2.011 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H](C)CC(C)C)C[C@H]21 ZINC001410125779 1197558155 /nfs/dbraw/zinc/55/81/55/1197558155.db2.gz SEYRPRLFTKMUJH-DZUCGIPZSA-N 1 3 332.492 2.237 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@H](C)CC(C)C)C[C@H]21 ZINC001410125779 1197558158 /nfs/dbraw/zinc/55/81/58/1197558158.db2.gz SEYRPRLFTKMUJH-DZUCGIPZSA-N 1 3 332.492 2.237 10 0 EEAEHO CO[C@@H](C[N@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1)C1CCC1 ZINC001410257439 1197641819 /nfs/dbraw/zinc/64/18/19/1197641819.db2.gz IMYMVAWPDCZDDU-SFHVURJKSA-N 1 3 339.524 2.065 10 0 EEAEHO CO[C@@H](C[N@@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1)C1CCC1 ZINC001410257439 1197641824 /nfs/dbraw/zinc/64/18/24/1197641824.db2.gz IMYMVAWPDCZDDU-SFHVURJKSA-N 1 3 339.524 2.065 10 0 EEAEHO Cc1nocc1CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001410307912 1197669455 /nfs/dbraw/zinc/66/94/55/1197669455.db2.gz GEGALWBSEFSRIQ-MSOLQXFVSA-N 1 3 348.491 2.182 10 0 EEAEHO Cc1nocc1CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001410307912 1197669457 /nfs/dbraw/zinc/66/94/57/1197669457.db2.gz GEGALWBSEFSRIQ-MSOLQXFVSA-N 1 3 348.491 2.182 10 0 EEAEHO c1nc(C[NH2+]CCN2CCN(Cc3ccccc3)CC2)cn1C1CC1 ZINC000865403209 1198198423 /nfs/dbraw/zinc/19/84/23/1198198423.db2.gz AJXREKBJSJOOPE-UHFFFAOYSA-N 1 3 339.487 2.125 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ocnc3C)[C@@H]2C1 ZINC001410914562 1198569453 /nfs/dbraw/zinc/56/94/53/1198569453.db2.gz GZNMEQDKLUINSE-GVDBMIGSSA-N 1 3 348.491 2.042 10 0 EEAEHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000813113222 1201123045 /nfs/dbraw/zinc/12/30/45/1201123045.db2.gz CCKLUTGPTYHEHI-RDTXWAMCSA-N 1 3 327.488 2.388 10 0 EEAEHO Cc1ccccc1CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCN1C ZINC001274263212 1204980215 /nfs/dbraw/zinc/98/02/15/1204980215.db2.gz OFJKEUDUHSSNEN-ZMBJWTFHSA-N 1 3 329.488 2.284 10 0 EEAEHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000925316357 1206095838 /nfs/dbraw/zinc/09/58/38/1206095838.db2.gz ZAWFUXIAFRHEMN-PKOBYXMFSA-N 1 3 344.503 2.305 10 0 EEAEHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000925316357 1206095841 /nfs/dbraw/zinc/09/58/41/1206095841.db2.gz ZAWFUXIAFRHEMN-PKOBYXMFSA-N 1 3 344.503 2.305 10 0 EEAEHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)c2)nn1 ZINC000925722371 1206146427 /nfs/dbraw/zinc/14/64/27/1206146427.db2.gz LKUVUMUSYMNLJO-BRWVUGGUSA-N 1 3 341.459 2.021 10 0 EEAEHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccnn1CC1CCC1 ZINC000926358365 1206215420 /nfs/dbraw/zinc/21/54/20/1206215420.db2.gz XVWGAUKGFTVRSX-MRXNPFEDSA-N 1 3 333.524 2.360 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC000928446737 1206385371 /nfs/dbraw/zinc/38/53/71/1206385371.db2.gz YJNZSBZNAWYMMZ-QGPMSJSTSA-N 1 3 333.451 2.247 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@H+]1C ZINC000928446737 1206385372 /nfs/dbraw/zinc/38/53/72/1206385372.db2.gz YJNZSBZNAWYMMZ-QGPMSJSTSA-N 1 3 333.451 2.247 10 0 EEAEHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@H]1COc2ccccc2C1 ZINC000902981925 1239260377 /nfs/dbraw/zinc/26/03/77/1239260377.db2.gz SKDCHHIXDRLINC-SJLPKXTDSA-N 1 3 331.504 2.242 10 0 EEAEHO C[C@@H]1C[NH2+]C[C@H]1CCNCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000903974437 1242811611 /nfs/dbraw/zinc/81/16/11/1242811611.db2.gz MRKFWRNTICXBNQ-VXGBXAGGSA-N 1 3 337.830 2.395 10 0 EEAEHO CC[C@@H](C(=O)NC1CCC(NCc2nccn2C)CC1)[NH+](CC)CC ZINC001491362079 1259001757 /nfs/dbraw/zinc/00/17/57/1259001757.db2.gz WEYKPWSHBLDYMH-JCYILVPMSA-N 1 3 349.523 2.058 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1C ZINC001489276825 1290502210 /nfs/dbraw/zinc/50/22/10/1290502210.db2.gz XJRCNWAXTJCEAM-FGTMMUONSA-N 1 3 339.524 2.112 10 0 EEAEHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1C ZINC001489276825 1290502215 /nfs/dbraw/zinc/50/22/15/1290502215.db2.gz XJRCNWAXTJCEAM-FGTMMUONSA-N 1 3 339.524 2.112 10 0 EEAEHO CCOP(=O)(OCC)[C@@H](O)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000851785550 1291830917 /nfs/dbraw/zinc/83/09/17/1291830917.db2.gz QLVCEJQZAJOZOH-HZPDHXFCSA-N 1 3 348.424 2.379 10 0 EEAEHO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000851785550 1291830923 /nfs/dbraw/zinc/83/09/23/1291830923.db2.gz QLVCEJQZAJOZOH-HZPDHXFCSA-N 1 3 348.424 2.379 10 0 EEAEHO CCOP(=O)(OCC)[C@@H](O)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000851785550 1291830929 /nfs/dbraw/zinc/83/09/29/1291830929.db2.gz QLVCEJQZAJOZOH-HZPDHXFCSA-N 1 3 348.424 2.379 10 0 EEAEHO C[N@@H+]1CC[C@@H](NCCOCCCNC(=O)OC(C)(C)C)CC1(C)C ZINC000858286468 1294072057 /nfs/dbraw/zinc/07/20/57/1294072057.db2.gz COEGETDCFXXIEV-OAHLLOKOSA-N 1 3 343.512 2.380 10 0 EEAEHO C[N@H+]1CC[C@@H](NCCOCCCNC(=O)OC(C)(C)C)CC1(C)C ZINC000858286468 1294072065 /nfs/dbraw/zinc/07/20/65/1294072065.db2.gz COEGETDCFXXIEV-OAHLLOKOSA-N 1 3 343.512 2.380 10 0 EEAEHO COc1cccc([C@H](C)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863549260 1296328738 /nfs/dbraw/zinc/32/87/38/1296328738.db2.gz FVTDIKLEMJKVMC-VHSSKADRSA-N 1 3 345.443 2.013 10 0 EEAEHO CC[C@H](C(=O)N1CCC([N@H+](C)CCOCC2CCC2)CC1)N(C)C ZINC001277440895 1303027146 /nfs/dbraw/zinc/02/71/46/1303027146.db2.gz HIDYCTVMONKQNG-GOSISDBHSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@H](C(=O)N1CCC([N@@H+](C)CCOCC2CCC2)CC1)N(C)C ZINC001277440895 1303027153 /nfs/dbraw/zinc/02/71/53/1303027153.db2.gz HIDYCTVMONKQNG-GOSISDBHSA-N 1 3 339.524 2.066 10 0 EEAEHO CCCN(C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1)C1CC[NH2+]CC1 ZINC000841848830 1315622605 /nfs/dbraw/zinc/62/26/05/1315622605.db2.gz XRVVAODUAGTQLA-OAHLLOKOSA-N 1 3 338.883 2.424 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@@H]1CCN(CCCCCF)C1)[NH+]1CCCC1 ZINC001265319714 1323068124 /nfs/dbraw/zinc/06/81/24/1323068124.db2.gz QEQGCFZQSBPOHQ-IAGOWNOFSA-N 1 3 327.488 2.437 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@H](CC[NH2+]CCc2ccccc2)C1 ZINC001280207824 1324115140 /nfs/dbraw/zinc/11/51/40/1324115140.db2.gz ORISYESTWLINPM-KRWDZBQOSA-N 1 3 326.444 2.023 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCCCOC ZINC001281968444 1325541997 /nfs/dbraw/zinc/54/19/97/1325541997.db2.gz NCHMGWCAILAOCR-ZWKOTPCHSA-N 1 3 339.524 2.210 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCCCOC ZINC001281968444 1325542001 /nfs/dbraw/zinc/54/20/01/1325542001.db2.gz NCHMGWCAILAOCR-ZWKOTPCHSA-N 1 3 339.524 2.210 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001283724378 1326220105 /nfs/dbraw/zinc/22/01/05/1326220105.db2.gz SJBFGLAYYVIELE-CYBMUJFWSA-N 1 3 326.872 2.012 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(N(C)C)c2)C1 ZINC001491850671 1330274005 /nfs/dbraw/zinc/27/40/05/1330274005.db2.gz WKAOVXSAFHBADV-SFHVURJKSA-N 1 3 346.519 2.033 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)Cc2cncc(C)c2)CC[N@@H+]1C ZINC001316893645 1331960338 /nfs/dbraw/zinc/96/03/38/1331960338.db2.gz ZSBISQXKBCUMEK-RBUKOAKNSA-N 1 3 346.519 2.449 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)Cc2cncc(C)c2)CC[N@H+]1C ZINC001316893645 1331960339 /nfs/dbraw/zinc/96/03/39/1331960339.db2.gz ZSBISQXKBCUMEK-RBUKOAKNSA-N 1 3 346.519 2.449 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@@H](C)CNC(=O)C(C)(C)N2CCCC2)cc1 ZINC001317260056 1332156746 /nfs/dbraw/zinc/15/67/46/1332156746.db2.gz ZWVQIIFOLIPGPQ-KRWDZBQOSA-N 1 3 347.503 2.343 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC001317297042 1332168922 /nfs/dbraw/zinc/16/89/22/1332168922.db2.gz MJSICPAPRXKCEB-HKUYNNGSSA-N 1 3 345.487 2.130 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CCc3ccccc3F)C2)C1 ZINC001317336834 1332184170 /nfs/dbraw/zinc/18/41/70/1332184170.db2.gz JFLSPSFCMHCUTJ-DLBZAZTESA-N 1 3 347.478 2.148 10 0 EEAEHO CCN(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ocnc1C)c1ccccc1 ZINC001317647302 1332346867 /nfs/dbraw/zinc/34/68/67/1332346867.db2.gz BYTCNBCQSXKZKH-SFHVURJKSA-N 1 3 344.459 2.224 10 0 EEAEHO CC[N@H+](C)[C@H](C(=O)N(C)CCNCc1ocnc1C)c1ccccc1 ZINC001317647302 1332346869 /nfs/dbraw/zinc/34/68/69/1332346869.db2.gz BYTCNBCQSXKZKH-SFHVURJKSA-N 1 3 344.459 2.224 10 0 EEAEHO CC[N@@H+](C)[C@H](C(=O)N(C)CCNCc1ocnc1C)c1ccccc1 ZINC001317647302 1332346873 /nfs/dbraw/zinc/34/68/73/1332346873.db2.gz BYTCNBCQSXKZKH-SFHVURJKSA-N 1 3 344.459 2.224 10 0 EEAEHO Cc1ncoc1CN(CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001317687226 1332373804 /nfs/dbraw/zinc/37/38/04/1332373804.db2.gz WSHDIPYIAVVTPT-QGZVFWFLSA-N 1 3 348.491 2.042 10 0 EEAEHO CC(C)N(CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)Cc1ccnn1C ZINC001317708479 1332382175 /nfs/dbraw/zinc/38/21/75/1332382175.db2.gz CNHHPGXBXLBRLC-CALCHBBNSA-N 1 3 349.523 2.010 10 0 EEAEHO CC(C)N(CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)Cc1ccnn1C ZINC001317708479 1332382179 /nfs/dbraw/zinc/38/21/79/1332382179.db2.gz CNHHPGXBXLBRLC-CALCHBBNSA-N 1 3 349.523 2.010 10 0 EEAEHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1cccc(Cl)n1 ZINC001318561045 1332561144 /nfs/dbraw/zinc/56/11/44/1332561144.db2.gz FULSUCPQYMYEJM-CYBMUJFWSA-N 1 3 338.883 2.061 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cccnc2)C1)N(C)C ZINC001318850903 1332611450 /nfs/dbraw/zinc/61/14/50/1332611450.db2.gz PCQWWDHPMSLMHT-WMZOPIPTSA-N 1 3 332.492 2.140 10 0 EEAEHO CC[C@@H](C(=O)N1CCC(CC[NH2+]C[C@@H]2CCCCO2)CC1)N(C)C ZINC001318914150 1332622341 /nfs/dbraw/zinc/62/23/41/1332622341.db2.gz AWIHKQPYWMCQES-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001319111257 1332650733 /nfs/dbraw/zinc/65/07/33/1332650733.db2.gz DMLFMRZZUUNMNT-UYAOXDASSA-N 1 3 343.515 2.460 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCC2(C[NH+](CCCCCF)C2)CC1 ZINC001319394055 1332694124 /nfs/dbraw/zinc/69/41/24/1332694124.db2.gz ANQAZODLUMRDQV-MRXNPFEDSA-N 1 3 325.472 2.145 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@H]2CCCN2C)o1 ZINC001319769686 1332763295 /nfs/dbraw/zinc/76/32/95/1332763295.db2.gz NRKGOBSJBNDWDC-DLBZAZTESA-N 1 3 348.491 2.246 10 0 EEAEHO Cc1ncc(CN2CC[C@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@@H]32)o1 ZINC001320111766 1332829377 /nfs/dbraw/zinc/82/93/77/1332829377.db2.gz QKZBEIUYNCHWGX-WMZOPIPTSA-N 1 3 348.491 2.138 10 0 EEAEHO CCN(CC[NH2+]CC[C@H]1CCCC1(F)F)C(=O)CN1CCCC1 ZINC001320920584 1332979286 /nfs/dbraw/zinc/97/92/86/1332979286.db2.gz KNIDDFOQQFAICZ-OAHLLOKOSA-N 1 3 331.451 2.346 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001321755255 1333152982 /nfs/dbraw/zinc/15/29/82/1333152982.db2.gz ATHMBDFZRGPOQC-UKRRQHHQSA-N 1 3 338.883 2.204 10 0 EEAEHO CN(CCC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)Cc1c[nH]cn1 ZINC001322711225 1333311794 /nfs/dbraw/zinc/31/17/94/1333311794.db2.gz RJTACDRZRXUARP-CYBMUJFWSA-N 1 3 328.407 2.216 10 0 EEAEHO CCOCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001324555874 1333708029 /nfs/dbraw/zinc/70/80/29/1333708029.db2.gz CBRCOXWTIVSGRP-HKUYNNGSSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001324555874 1333708032 /nfs/dbraw/zinc/70/80/32/1333708032.db2.gz CBRCOXWTIVSGRP-HKUYNNGSSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001326419340 1334089809 /nfs/dbraw/zinc/08/98/09/1334089809.db2.gz PKRZVDKXRQEECL-MRXNPFEDSA-N 1 3 335.467 2.496 10 0 EEAEHO CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001327033600 1334207810 /nfs/dbraw/zinc/20/78/10/1334207810.db2.gz DEMRIDVQUQUOGI-ROUUACIJSA-N 1 3 337.508 2.034 10 0 EEAEHO C[C@@H]1C[C@H]([NH2+]CCCCC2CCOCC2)CN1C(=O)Cc1c[nH]cn1 ZINC001332027749 1335708879 /nfs/dbraw/zinc/70/88/79/1335708879.db2.gz NBKAJISNKRGMKY-QAPCUYQASA-N 1 3 348.491 2.128 10 0 EEAEHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001433587303 1341633324 /nfs/dbraw/zinc/63/33/24/1341633324.db2.gz AVNAMDSTXIKTMS-CEXWTWQISA-N 1 3 329.488 2.498 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCOC(C)C)C1 ZINC001567177281 1342705483 /nfs/dbraw/zinc/70/54/83/1342705483.db2.gz SZVVOQRLDYDNIO-CVEARBPZSA-N 1 3 336.480 2.093 10 0 EEAEHO COCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001567250155 1342719621 /nfs/dbraw/zinc/71/96/21/1342719621.db2.gz QFZJLZQUDLYWAH-KRWDZBQOSA-N 1 3 339.524 2.258 10 0 EEAEHO COCC[N@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001567250155 1342719624 /nfs/dbraw/zinc/71/96/24/1342719624.db2.gz QFZJLZQUDLYWAH-KRWDZBQOSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]CC/C=C\c2ccccc2)C1 ZINC001649439908 1353505962 /nfs/dbraw/zinc/50/59/62/1353505962.db2.gz JKZSJQITDXSPMY-OEPRFQHASA-N 1 3 329.488 2.480 10 0 EEAEHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2CCC)CCO1 ZINC001649457795 1353515927 /nfs/dbraw/zinc/51/59/27/1353515927.db2.gz MMLHSYQTEJZWRE-WIJVFFIESA-N 1 3 337.508 2.034 10 0 EEAEHO CN1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1OC1CC1 ZINC001660081458 1354393822 /nfs/dbraw/zinc/39/38/22/1354393822.db2.gz QGHBZNACZRYTNA-SFHVURJKSA-N 1 3 345.487 2.260 10 0 EEAEHO CN1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccccc1OC1CC1 ZINC001660081458 1354393828 /nfs/dbraw/zinc/39/38/28/1354393828.db2.gz QGHBZNACZRYTNA-SFHVURJKSA-N 1 3 345.487 2.260 10 0 EEAEHO CCCCOCCN1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001660794590 1354540041 /nfs/dbraw/zinc/54/00/41/1354540041.db2.gz RKTYKUYZQIVETF-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCCOCCN1CCC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001660794590 1354540044 /nfs/dbraw/zinc/54/00/44/1354540044.db2.gz RKTYKUYZQIVETF-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001666655964 1355560395 /nfs/dbraw/zinc/56/03/95/1355560395.db2.gz GABYMYMQLUTBAY-CMPLNLGQSA-N 1 3 347.290 2.186 10 0 EEAEHO C[C@H](CNCc1cccc(Cl)n1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001666991436 1355628654 /nfs/dbraw/zinc/62/86/54/1355628654.db2.gz CHPJUTPQONPPBS-ZIAGYGMSSA-N 1 3 338.883 2.013 10 0 EEAEHO C[C@H](CNCc1cccc(Cl)n1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001666991436 1355628660 /nfs/dbraw/zinc/62/86/60/1355628660.db2.gz CHPJUTPQONPPBS-ZIAGYGMSSA-N 1 3 338.883 2.013 10 0 EEAEHO CCOCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001667216329 1355676047 /nfs/dbraw/zinc/67/60/47/1355676047.db2.gz GJHYFWMPVZHIHO-APWZRJJASA-N 1 3 347.503 2.225 10 0 EEAEHO Cc1nc(C(C)C)oc1CNCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001668278255 1355914157 /nfs/dbraw/zinc/91/41/57/1355914157.db2.gz DUGRMFMMWJDIFM-AWEZNQCLSA-N 1 3 348.491 2.187 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(CO)cc1 ZINC001668324758 1355923492 /nfs/dbraw/zinc/92/34/92/1355923492.db2.gz DPGYSHKVBHRSPE-VQIMIIECSA-N 1 3 347.503 2.038 10 0 EEAEHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC/C=C/CNCCC(F)(F)F)C1 ZINC001669140431 1356105219 /nfs/dbraw/zinc/10/52/19/1356105219.db2.gz ZHCZBKNWFWNTTL-PUWCWTCHSA-N 1 3 335.414 2.321 10 0 EEAEHO CC1CCN(CC(=O)N(C)CCC[NH2+]Cc2cccc(F)c2)CC1 ZINC001670291730 1356312574 /nfs/dbraw/zinc/31/25/74/1356312574.db2.gz WDDGICSIBCKATR-UHFFFAOYSA-N 1 3 335.467 2.496 10 0 EEAEHO CC[C@H](C)C[NH2+]CCCOC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001675149740 1356938816 /nfs/dbraw/zinc/93/88/16/1356938816.db2.gz RNDHWTSMEONWGY-FUHWJXTLSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001698858868 1405114930 /nfs/dbraw/zinc/11/49/30/1405114930.db2.gz WFDFPJJXQUCVTD-OCCSQVGLSA-N 1 3 326.872 2.012 10 0 EEAEHO C[NH+](C)CC1CCC(NCc2ncc(C3OCCO3)s2)CC1 ZINC000809628378 783252079 /nfs/dbraw/zinc/25/20/79/783252079.db2.gz WEVLIHASMJBREP-UHFFFAOYSA-N 1 3 325.478 2.399 10 0 EEAEHO C[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)CCN1Cc1ccccc1 ZINC000711277977 788584869 /nfs/dbraw/zinc/58/48/69/788584869.db2.gz CZTJYKXEBXBQRY-WMZOPIPTSA-N 1 3 329.488 2.355 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc(Cl)n1 ZINC000844174546 788886781 /nfs/dbraw/zinc/88/67/81/788886781.db2.gz KKWNIDPNQXUVMJ-QLFBSQMISA-N 1 3 336.867 2.176 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc(Cl)n1 ZINC000844174546 788886792 /nfs/dbraw/zinc/88/67/92/788886792.db2.gz KKWNIDPNQXUVMJ-QLFBSQMISA-N 1 3 336.867 2.176 10 0 EEAEHO CCN(C(=O)[C@@H](C)N1CCC2(CO[C@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000923457324 789573553 /nfs/dbraw/zinc/57/35/53/789573553.db2.gz TYSARKJMBITQCZ-AEFFLSMTSA-N 1 3 345.487 2.258 10 0 EEAEHO CC(C)c1ccc(CCNC(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923502473 789667340 /nfs/dbraw/zinc/66/73/40/789667340.db2.gz ZPGMNIJNVKLLCE-QFBILLFUSA-N 1 3 331.504 2.385 10 0 EEAEHO Cc1csc(C[C@@H]2CC[N@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)n1 ZINC000923550324 789764634 /nfs/dbraw/zinc/76/46/34/789764634.db2.gz BBAXQXPIRXDJNU-BZSNNMDCSA-N 1 3 345.512 2.247 10 0 EEAEHO Cc1csc(C[C@@H]2CC[N@@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)n1 ZINC000923550324 789764638 /nfs/dbraw/zinc/76/46/38/789764638.db2.gz BBAXQXPIRXDJNU-BZSNNMDCSA-N 1 3 345.512 2.247 10 0 EEAEHO CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCOCC(C)C)C1)N(C)C ZINC001566075234 1125547689 /nfs/dbraw/zinc/54/76/89/1125547689.db2.gz JDTLFNUKUMKOAM-ROUUACIJSA-N 1 3 341.540 2.360 10 0 EEAEHO Cc1ncsc1CN[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001437261831 1089405625 /nfs/dbraw/zinc/40/56/25/1089405625.db2.gz DUKFZBPXPHGZOF-XJKSGUPXSA-N 1 3 338.521 2.166 10 0 EEAEHO COc1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)ccc1C ZINC001437323160 1089486656 /nfs/dbraw/zinc/48/66/56/1089486656.db2.gz ICJYHMQIHOMSQU-SFHVURJKSA-N 1 3 347.503 2.282 10 0 EEAEHO CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)NCc1cnc(C)nc1 ZINC001438335838 1090810577 /nfs/dbraw/zinc/81/05/77/1090810577.db2.gz ACUBYGADLLZCLG-MAUKXSAKSA-N 1 3 347.507 2.034 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)[C@@H](C)C1 ZINC001438764510 1091339454 /nfs/dbraw/zinc/33/94/54/1091339454.db2.gz FCNLJWPQIJJRPX-MAUKXSAKSA-N 1 3 335.467 2.493 10 0 EEAEHO Cc1nc(CN[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)c(C)s1 ZINC001438775659 1091366529 /nfs/dbraw/zinc/36/65/29/1091366529.db2.gz QAXZLNZBMZFIPK-WFASDCNBSA-N 1 3 338.521 2.038 10 0 EEAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H](CNCc1cncc(F)c1)C1CC1 ZINC001445954465 1091898970 /nfs/dbraw/zinc/89/89/70/1091898970.db2.gz CFSNYZSGFPYDQD-MSOLQXFVSA-N 1 3 348.466 2.080 10 0 EEAEHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H](CNCc1cncc(F)c1)C1CC1 ZINC001445954465 1091898976 /nfs/dbraw/zinc/89/89/76/1091898976.db2.gz CFSNYZSGFPYDQD-MSOLQXFVSA-N 1 3 348.466 2.080 10 0 EEAEHO CC(C)[C@@H](C(=O)NCC1([NH2+]CC[C@@H](C)F)CC1)N1CCCCC1 ZINC001439674522 1092615619 /nfs/dbraw/zinc/61/56/19/1092615619.db2.gz GKPXYZYOVGTKGH-CVEARBPZSA-N 1 3 327.488 2.483 10 0 EEAEHO CCCC[N@H+](CCOC)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001439696534 1092648408 /nfs/dbraw/zinc/64/84/08/1092648408.db2.gz PGPPEFJKJLOHBR-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCC[N@@H+](CCOC)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001439696534 1092648409 /nfs/dbraw/zinc/64/84/09/1092648409.db2.gz PGPPEFJKJLOHBR-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCC2CC2)CCC1(F)F ZINC001439971822 1093087993 /nfs/dbraw/zinc/08/79/93/1093087993.db2.gz HCYWIYAEHZORFF-OAHLLOKOSA-N 1 3 331.451 2.202 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCC2CC2)CCC1(F)F ZINC001439971822 1093088001 /nfs/dbraw/zinc/08/80/01/1093088001.db2.gz HCYWIYAEHZORFF-OAHLLOKOSA-N 1 3 331.451 2.202 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cnccc1C)C2 ZINC001440106578 1093167082 /nfs/dbraw/zinc/16/70/82/1093167082.db2.gz FGABIDQZJLOJLO-WDSOQIARSA-N 1 3 344.503 2.201 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cnccc1C)C2 ZINC001440106578 1093167089 /nfs/dbraw/zinc/16/70/89/1093167089.db2.gz FGABIDQZJLOJLO-WDSOQIARSA-N 1 3 344.503 2.201 10 0 EEAEHO CC[C@@H](F)CN1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]2C1 ZINC001440150462 1093210495 /nfs/dbraw/zinc/21/04/95/1093210495.db2.gz OPDZEBPPLPDJTP-TWMKSMIVSA-N 1 3 327.488 2.245 10 0 EEAEHO CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001440243362 1093332412 /nfs/dbraw/zinc/33/24/12/1093332412.db2.gz ARJWLJLRTKBIAD-CABCVRRESA-N 1 3 331.451 2.296 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001440243362 1093332417 /nfs/dbraw/zinc/33/24/17/1093332417.db2.gz ARJWLJLRTKBIAD-CABCVRRESA-N 1 3 331.451 2.296 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cnc(C)o3)C[C@H]2C1 ZINC001448464584 1093474855 /nfs/dbraw/zinc/47/48/55/1093474855.db2.gz AIMMNFLTVWQHQM-GVDBMIGSSA-N 1 3 348.491 2.042 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3cnc(C)o3)C[C@H]2C1 ZINC001448464584 1093474858 /nfs/dbraw/zinc/47/48/58/1093474858.db2.gz AIMMNFLTVWQHQM-GVDBMIGSSA-N 1 3 348.491 2.042 10 0 EEAEHO O=C(NCC1(NCc2cccnc2)CCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001440344137 1093493818 /nfs/dbraw/zinc/49/38/18/1093493818.db2.gz RSYUNNJJIMSHLU-ROUUACIJSA-N 1 3 342.487 2.227 10 0 EEAEHO O=C(NCC1(NCc2cccnc2)CCC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001440344137 1093493820 /nfs/dbraw/zinc/49/38/20/1093493820.db2.gz RSYUNNJJIMSHLU-ROUUACIJSA-N 1 3 342.487 2.227 10 0 EEAEHO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)CN3CC[C@@H](C)C3)C2)c(C)n1 ZINC001440357322 1093513953 /nfs/dbraw/zinc/51/39/53/1093513953.db2.gz OEILQJIEJCYIHG-LSBZLQRGSA-N 1 3 344.503 2.025 10 0 EEAEHO Cc1nn(C(C)C)cc1CN1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001440390482 1093566420 /nfs/dbraw/zinc/56/64/20/1093566420.db2.gz FXKSJKCUMCESHM-GOSISDBHSA-N 1 3 349.523 2.195 10 0 EEAEHO CN(CCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)Cc1cccnc1 ZINC001440469876 1093695017 /nfs/dbraw/zinc/69/50/17/1093695017.db2.gz SDRBOQCSOODCGM-RTBURBONSA-N 1 3 346.519 2.482 10 0 EEAEHO O=C(CCCF)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC2CC2)CC1 ZINC001440487009 1093720802 /nfs/dbraw/zinc/72/08/02/1093720802.db2.gz WLOXOUOEVVHGOM-HDICACEKSA-N 1 3 337.483 2.286 10 0 EEAEHO CC(C)C[NH2+]CC1CC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001440765645 1094005738 /nfs/dbraw/zinc/00/57/38/1094005738.db2.gz QRGRZNLJMSMHHC-JMLCCBQJSA-N 1 3 327.488 2.339 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001440835150 1094088238 /nfs/dbraw/zinc/08/82/38/1094088238.db2.gz MDYFKRUSOGNUSX-CHWSQXEVSA-N 1 3 327.419 2.289 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCc1cc(F)cc(F)c1 ZINC001440835150 1094088244 /nfs/dbraw/zinc/08/82/44/1094088244.db2.gz MDYFKRUSOGNUSX-CHWSQXEVSA-N 1 3 327.419 2.289 10 0 EEAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](NCc1ccc(F)cn1)C1CC1 ZINC001441198166 1094557894 /nfs/dbraw/zinc/55/78/94/1094557894.db2.gz FIXBYDAETZOYMQ-MSOLQXFVSA-N 1 3 348.466 2.080 10 0 EEAEHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](NCc1ccc(F)cn1)C1CC1 ZINC001441198166 1094557900 /nfs/dbraw/zinc/55/79/00/1094557900.db2.gz FIXBYDAETZOYMQ-MSOLQXFVSA-N 1 3 348.466 2.080 10 0 EEAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](NCc1ccc(F)cn1)C1CC1 ZINC001441198172 1094558090 /nfs/dbraw/zinc/55/80/90/1094558090.db2.gz FIXBYDAETZOYMQ-ZWKOTPCHSA-N 1 3 348.466 2.080 10 0 EEAEHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](NCc1ccc(F)cn1)C1CC1 ZINC001441198172 1094558096 /nfs/dbraw/zinc/55/80/96/1094558096.db2.gz FIXBYDAETZOYMQ-ZWKOTPCHSA-N 1 3 348.466 2.080 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](CNCc2c(F)cccc2Cl)C1 ZINC001441371504 1094901784 /nfs/dbraw/zinc/90/17/84/1094901784.db2.gz SNFIHLZYDKGWLK-JOCQHMNTSA-N 1 3 341.858 2.415 10 0 EEAEHO O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001441543451 1095262491 /nfs/dbraw/zinc/26/24/91/1095262491.db2.gz WFGIJMVPKALEPV-BETUJISGSA-N 1 3 334.291 2.418 10 0 EEAEHO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)c(C)n1 ZINC001441837360 1095905733 /nfs/dbraw/zinc/90/57/33/1095905733.db2.gz PBCZJKFRRZDISC-QAPCUYQASA-N 1 3 332.492 2.118 10 0 EEAEHO CN(C)c1cccc(CN2CCC[C@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001442799201 1097179697 /nfs/dbraw/zinc/17/96/97/1097179697.db2.gz JGUZXEYIEHGEMY-IBGZPJMESA-N 1 3 346.519 2.175 10 0 EEAEHO CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)NCc1ccns1 ZINC001444032313 1098551892 /nfs/dbraw/zinc/55/18/92/1098551892.db2.gz JAGWKUKOWONIRY-ZBFHGGJFSA-N 1 3 338.521 2.248 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CCCOC(C)C)CC2)N(C)C ZINC001479986504 1099446056 /nfs/dbraw/zinc/44/60/56/1099446056.db2.gz LCOTXPNCMZSMNJ-DLBZAZTESA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1cc(CNC[C@H](C)N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)sn1 ZINC001444635543 1099462282 /nfs/dbraw/zinc/46/22/82/1099462282.db2.gz ZIFCXZQIOIWSDO-GJZGRUSLSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1cc(CNC[C@H](C)N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)sn1 ZINC001444635543 1099462286 /nfs/dbraw/zinc/46/22/86/1099462286.db2.gz ZIFCXZQIOIWSDO-GJZGRUSLSA-N 1 3 338.521 2.262 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001480022792 1099503013 /nfs/dbraw/zinc/50/30/13/1099503013.db2.gz ACJFSMGVJCTLBX-CVEARBPZSA-N 1 3 343.462 2.391 10 0 EEAEHO C[C@@H](C[NH2+]C[C@H]1CCCC(F)(F)C1)N(C)C(=O)Cc1c[nH]cn1 ZINC001444690253 1099541009 /nfs/dbraw/zinc/54/10/09/1099541009.db2.gz ORSAEJWAXSZWQQ-STQMWFEESA-N 1 3 328.407 2.214 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]Cc2ccccc2F)C2CC2)C1 ZINC001480047420 1099552614 /nfs/dbraw/zinc/55/26/14/1099552614.db2.gz RSCOODLENWWTIR-RDTXWAMCSA-N 1 3 333.451 2.152 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(F)c3F)C2)CCC1 ZINC001480208084 1099814098 /nfs/dbraw/zinc/81/40/98/1099814098.db2.gz NDFYBRWOZAYRLY-OKILXGFUSA-N 1 3 337.414 2.186 10 0 EEAEHO Cc1nc(CNC[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001480294911 1100009286 /nfs/dbraw/zinc/00/92/86/1100009286.db2.gz RPXGAWGKBLFMCH-HNNXBMFYSA-N 1 3 338.521 2.040 10 0 EEAEHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C[C@H]21)CC(C)(C)C ZINC001480394844 1100202729 /nfs/dbraw/zinc/20/27/29/1100202729.db2.gz PHNJPBVPOKTCGD-KLTZCBCKSA-N 1 3 347.547 2.447 10 0 EEAEHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C[C@H]21)CC(C)(C)C ZINC001480394844 1100202735 /nfs/dbraw/zinc/20/27/35/1100202735.db2.gz PHNJPBVPOKTCGD-KLTZCBCKSA-N 1 3 347.547 2.447 10 0 EEAEHO Cc1cc(CN[C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)sn1 ZINC001480492470 1100304757 /nfs/dbraw/zinc/30/47/57/1100304757.db2.gz KTKNSCDTTMMCCD-ZBFHGGJFSA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1cc(CN[C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)sn1 ZINC001480492470 1100304767 /nfs/dbraw/zinc/30/47/67/1100304767.db2.gz KTKNSCDTTMMCCD-ZBFHGGJFSA-N 1 3 338.521 2.166 10 0 EEAEHO C[C@H](C[NH2+]Cc1cc2ccccc2o1)N(C)C(=O)CN1CCCC1 ZINC001496228720 1100786722 /nfs/dbraw/zinc/78/67/22/1100786722.db2.gz CQRQTXFHPYXIDQ-OAHLLOKOSA-N 1 3 329.444 2.465 10 0 EEAEHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCCc1ccsc1 ZINC001496355496 1100949934 /nfs/dbraw/zinc/94/99/34/1100949934.db2.gz GWACCSUULWGGKT-PBHICJAKSA-N 1 3 346.500 2.473 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC2CC(F)(F)C2)C1)N(C)C ZINC001446581473 1101070852 /nfs/dbraw/zinc/07/08/52/1101070852.db2.gz XSYZECQMYUVWAE-GDBMZVCRSA-N 1 3 331.451 2.200 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC(F)(F)F)C2 ZINC001446924387 1101602455 /nfs/dbraw/zinc/60/24/55/1101602455.db2.gz MXQKMBIRNLJQME-MJBXVCDLSA-N 1 3 335.414 2.250 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC(F)(F)F)C2 ZINC001446924387 1101602457 /nfs/dbraw/zinc/60/24/57/1101602457.db2.gz MXQKMBIRNLJQME-MJBXVCDLSA-N 1 3 335.414 2.250 10 0 EEAEHO C[C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1C[NH2+]C/C(Cl)=C\Cl ZINC001446941328 1101629088 /nfs/dbraw/zinc/62/90/88/1101629088.db2.gz MDFVYTDPDCUXMP-SNSDMREKSA-N 1 3 334.291 2.085 10 0 EEAEHO C[C@@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)[C@@H]1CCCN1C ZINC001496028725 1101952753 /nfs/dbraw/zinc/95/27/53/1101952753.db2.gz SXKMWNRNCBDKEL-YJBOKZPZSA-N 1 3 335.467 2.289 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN(Cc1c(C)noc1C)CC2 ZINC001447101274 1101994176 /nfs/dbraw/zinc/99/41/76/1101994176.db2.gz OXABADFCMQVFPU-UHFFFAOYSA-N 1 3 348.491 2.058 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(Cc1c(C)noc1C)CC2 ZINC001447101274 1101994193 /nfs/dbraw/zinc/99/41/93/1101994193.db2.gz OXABADFCMQVFPU-UHFFFAOYSA-N 1 3 348.491 2.058 10 0 EEAEHO C[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001496155076 1102146826 /nfs/dbraw/zinc/14/68/26/1102146826.db2.gz SGKMKNXKKJXARX-CVEARBPZSA-N 1 3 342.487 2.446 10 0 EEAEHO CCC1([NH2+]Cc2ocnc2C)CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001447414318 1102611772 /nfs/dbraw/zinc/61/17/72/1102611772.db2.gz PHLZKFOOPUTQAD-MRXNPFEDSA-N 1 3 348.491 2.328 10 0 EEAEHO Cc1ccc(C)c(OCC[NH2+]C/C=C\CNC(=O)[C@@H]2CCCN2C)c1 ZINC001497549294 1102651651 /nfs/dbraw/zinc/65/16/51/1102651651.db2.gz OOPASBBKVOFDDW-XDXAGZTOSA-N 1 3 345.487 2.038 10 0 EEAEHO CCOC1CC(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN(C)C(C)C)C1 ZINC001447767405 1103269299 /nfs/dbraw/zinc/26/92/99/1103269299.db2.gz ITLQOOWXTJGQFR-ADKAHSJRSA-N 1 3 339.524 2.065 10 0 EEAEHO CCOC1CC(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN(C)C(C)C)C1 ZINC001447767405 1103269309 /nfs/dbraw/zinc/26/93/09/1103269309.db2.gz ITLQOOWXTJGQFR-ADKAHSJRSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]C[C@@H]1CCc2ccccc2C1)N(C)C ZINC001497905972 1103294516 /nfs/dbraw/zinc/29/45/16/1103294516.db2.gz VIBZIHPNAJJOMO-MBOZVWFJSA-N 1 3 345.531 2.472 10 0 EEAEHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cc(F)cc(F)c1 ZINC001495057290 1104693873 /nfs/dbraw/zinc/69/38/73/1104693873.db2.gz FRIICEFUFZYGAQ-SUMWQHHRSA-N 1 3 339.430 2.291 10 0 EEAEHO Cc1noc(C)c1CNCCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001498657139 1107907609 /nfs/dbraw/zinc/90/76/09/1107907609.db2.gz GGZWLYRXMRFPDY-UHFFFAOYSA-N 1 3 336.480 2.106 10 0 EEAEHO O=C(NCCN(Cc1ccccc1)C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001493372840 1108009197 /nfs/dbraw/zinc/00/91/97/1108009197.db2.gz RCXJBAHPMAGNEP-IBGZPJMESA-N 1 3 327.472 2.109 10 0 EEAEHO CN(CCNCc1cc(F)cc(F)c1)C(=O)CC[NH+]1CCCCC1 ZINC001493807222 1108687279 /nfs/dbraw/zinc/68/72/79/1108687279.db2.gz XQIKQKVCEVXHRV-UHFFFAOYSA-N 1 3 339.430 2.389 10 0 EEAEHO CS[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C[C@@H]1N(C)C ZINC001457737742 1109749148 /nfs/dbraw/zinc/74/91/48/1109749148.db2.gz BTDUXLOMANUVBT-FJIDUMEYSA-N 1 3 347.528 2.183 10 0 EEAEHO CS[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C[C@@H]1N(C)C ZINC001457737742 1109749151 /nfs/dbraw/zinc/74/91/51/1109749151.db2.gz BTDUXLOMANUVBT-FJIDUMEYSA-N 1 3 347.528 2.183 10 0 EEAEHO O=C(NCCN(CCF)C1CCCCCC1)C12CC[NH+](CC1)C2 ZINC001499522449 1112337521 /nfs/dbraw/zinc/33/75/21/1112337521.db2.gz INNJZZKNMITXKE-UHFFFAOYSA-N 1 3 325.472 2.193 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@H](C[NH2+]CCCF)CC2)C1 ZINC001501186463 1113233403 /nfs/dbraw/zinc/23/34/03/1113233403.db2.gz LJHYOAFLJXVJHH-ULQDDVLXSA-N 1 3 327.488 2.200 10 0 EEAEHO Cc1cccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001501544237 1113376861 /nfs/dbraw/zinc/37/68/61/1113376861.db2.gz HVOBLUWUGNZBOW-HKUYNNGSSA-N 1 3 329.488 2.417 10 0 EEAEHO COc1cc(CN2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C)ccc1C ZINC001502987950 1113867591 /nfs/dbraw/zinc/86/75/91/1113867591.db2.gz NFKCWGNPCSFVQY-WMZOPIPTSA-N 1 3 347.503 2.424 10 0 EEAEHO COc1ccc(CN2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C)cc1C ZINC001502986351 1113867816 /nfs/dbraw/zinc/86/78/16/1113867816.db2.gz KKDCOVPUMJIAFO-WMZOPIPTSA-N 1 3 347.503 2.424 10 0 EEAEHO CCOCCC[NH2+][C@@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001566072219 1113918845 /nfs/dbraw/zinc/91/88/45/1113918845.db2.gz XDRQLQVLMPLDIV-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)Cc1ccc2cc[nH]c2c1 ZINC001506038383 1114365060 /nfs/dbraw/zinc/36/50/60/1114365060.db2.gz IXTZASDSKIHIIG-DOTOQJQBSA-N 1 3 342.487 2.446 10 0 EEAEHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)Cc1ccc2cc[nH]c2c1 ZINC001506038383 1114365064 /nfs/dbraw/zinc/36/50/64/1114365064.db2.gz IXTZASDSKIHIIG-DOTOQJQBSA-N 1 3 342.487 2.446 10 0 EEAEHO CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CCC(F)(F)F ZINC001506158100 1114439351 /nfs/dbraw/zinc/43/93/51/1114439351.db2.gz DCTLZNHYTQGJCE-KGLIPLIRSA-N 1 3 337.430 2.496 10 0 EEAEHO CC[C@H](C)CN1CCO[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001506723433 1114834243 /nfs/dbraw/zinc/83/42/43/1114834243.db2.gz JVWUGHPLFWUQAW-PKOBYXMFSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001506856309 1114921585 /nfs/dbraw/zinc/92/15/85/1114921585.db2.gz QCMLLEKVUVBHDU-PKOBYXMFSA-N 1 3 347.503 2.041 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@]2(C)C[N@H+](CC[C@H](C)F)C[C@]2(C)C1 ZINC001506870628 1114941448 /nfs/dbraw/zinc/94/14/48/1114941448.db2.gz SWGWCJBOUWIENH-RYQLBKOJSA-N 1 3 327.488 2.247 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@]2(C)C[N@@H+](CC[C@H](C)F)C[C@]2(C)C1 ZINC001506870628 1114941452 /nfs/dbraw/zinc/94/14/52/1114941452.db2.gz SWGWCJBOUWIENH-RYQLBKOJSA-N 1 3 327.488 2.247 10 0 EEAEHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccccc2F)C1)N(C)C ZINC001506888072 1114952418 /nfs/dbraw/zinc/95/24/18/1114952418.db2.gz VLFKTXDZZYSHGD-QGPMSJSTSA-N 1 3 335.467 2.193 10 0 EEAEHO Cc1cc(CN[C@@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)sn1 ZINC001507108597 1115112648 /nfs/dbraw/zinc/11/26/48/1115112648.db2.gz XCYQTCOCENLUEZ-AWEZNQCLSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1cc(CN[C@@H](C)CN(C)C(=O)CC2CC[NH+](C)CC2)sn1 ZINC001507131917 1115125125 /nfs/dbraw/zinc/12/51/25/1115125125.db2.gz XODAURIZFQPSLW-AWEZNQCLSA-N 1 3 338.521 2.120 10 0 EEAEHO C[C@@H]1[C@@H](NCc2cncc(F)c2)CCN1C(=O)CCCC[NH+](C)C ZINC001507292430 1115177256 /nfs/dbraw/zinc/17/72/56/1115177256.db2.gz JJMGNLXLSXHNQW-PBHICJAKSA-N 1 3 336.455 2.032 10 0 EEAEHO CC1CCN(CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCCF)[C@H]3C2)CC1 ZINC001507363897 1115224418 /nfs/dbraw/zinc/22/44/18/1115224418.db2.gz NJBMYNMRNGHVBD-OKZBNKHCSA-N 1 3 339.499 2.295 10 0 EEAEHO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)CC2(C)C)cc1 ZINC001507454117 1115279045 /nfs/dbraw/zinc/27/90/45/1115279045.db2.gz RXOWJZZGYPNGNN-GOSISDBHSA-N 1 3 347.503 2.362 10 0 EEAEHO C[NH+]1CCC(CC(=O)NCC2=CCN(CCOC3CCC3)CC2)CC1 ZINC001508223609 1115451376 /nfs/dbraw/zinc/45/13/76/1115451376.db2.gz UQVNVHWIKVHJLN-UHFFFAOYSA-N 1 3 349.519 2.036 10 0 EEAEHO Cc1cc(CN[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]2C)on1 ZINC001568368959 1124441447 /nfs/dbraw/zinc/44/14/47/1124441447.db2.gz HRXHZQKNYSPMSQ-WMLDXEAASA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1ncoc1CN1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001568515448 1124576754 /nfs/dbraw/zinc/57/67/54/1124576754.db2.gz LEWOUZHRWQPVCN-SJORKVTESA-N 1 3 348.491 2.138 10 0 EEAEHO CC(C)[C@@H](C(=O)NC/C=C/CNCc1ccnc(Cl)c1)[NH+](C)C ZINC001568866830 1124892475 /nfs/dbraw/zinc/89/24/75/1124892475.db2.gz YAQCVPGDCBFCEH-JFDDCEBESA-N 1 3 338.883 2.083 10 0 EEAEHO COC1CCN(CCNC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000079998397 539344796 /nfs/dbraw/zinc/34/47/96/539344796.db2.gz VSRFTUVRDVSJSC-UHFFFAOYSA-N 1 3 345.487 2.123 10 0 EEAEHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179486638 529965544 /nfs/dbraw/zinc/96/55/44/529965544.db2.gz JBYZLCRQTFMBMA-QXAKKESOSA-N 1 3 344.503 2.415 10 0 EEAEHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179486638 529965546 /nfs/dbraw/zinc/96/55/46/529965546.db2.gz JBYZLCRQTFMBMA-QXAKKESOSA-N 1 3 344.503 2.415 10 0 EEAEHO CN(Cc1ccccc1)C[C@@H](O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000163900860 539537651 /nfs/dbraw/zinc/53/76/51/539537651.db2.gz LYYNVGBUZIYUJW-OAQYLSRUSA-N 1 3 345.531 2.430 10 0 EEAEHO CC(C)N1CCN([C@H](C[NH3+])c2ccccc2Br)CC1 ZINC000036170695 213073958 /nfs/dbraw/zinc/07/39/58/213073958.db2.gz XDCLMMHPTFFCDL-OAHLLOKOSA-N 1 3 326.282 2.475 10 0 EEAEHO C[NH+](C)CC1CCN(C(=O)CCN2CCc3ccccc3C2)CC1 ZINC000416161301 239089471 /nfs/dbraw/zinc/08/94/71/239089471.db2.gz QKIMFMFFFWTNCB-UHFFFAOYSA-N 1 3 329.488 2.235 10 0 EEAEHO CC[NH+](CC)Cc1ccc(CN[C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422788285 240224503 /nfs/dbraw/zinc/22/45/03/240224503.db2.gz QZIZCZJDNJUKDX-VQTJNVASSA-N 1 3 331.504 2.385 10 0 EEAEHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cnccc1N ZINC000423035927 240338563 /nfs/dbraw/zinc/33/85/63/240338563.db2.gz SKGNGRBMJLCLSY-YJBOKZPZSA-N 1 3 340.471 2.302 10 0 EEAEHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cnccc1N ZINC000423035927 240338567 /nfs/dbraw/zinc/33/85/67/240338567.db2.gz SKGNGRBMJLCLSY-YJBOKZPZSA-N 1 3 340.471 2.302 10 0 EEAEHO CC[NH+](CC)[C@H](C)CNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000340937202 284803279 /nfs/dbraw/zinc/80/32/79/284803279.db2.gz LEDRFPPSTZVVFI-MRXNPFEDSA-N 1 3 346.519 2.115 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCC(C)(F)F ZINC000458904430 285277332 /nfs/dbraw/zinc/27/73/32/285277332.db2.gz VAVHUIQGQIQNHV-HNNXBMFYSA-N 1 3 348.482 2.479 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCC(C)(F)F ZINC000458904430 285277337 /nfs/dbraw/zinc/27/73/37/285277337.db2.gz VAVHUIQGQIQNHV-HNNXBMFYSA-N 1 3 348.482 2.479 10 0 EEAEHO CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000270347080 256125713 /nfs/dbraw/zinc/12/57/13/256125713.db2.gz MXBHZNFFFREOOZ-MSOLQXFVSA-N 1 3 330.476 2.215 10 0 EEAEHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCCc3n[nH]cc32)C1 ZINC000375898706 285366487 /nfs/dbraw/zinc/36/64/87/285366487.db2.gz WKJGIAHYUUPMPS-WMZOPIPTSA-N 1 3 326.444 2.144 10 0 EEAEHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCCc3n[nH]cc32)C1 ZINC000375898706 285366495 /nfs/dbraw/zinc/36/64/95/285366495.db2.gz WKJGIAHYUUPMPS-WMZOPIPTSA-N 1 3 326.444 2.144 10 0 EEAEHO COc1cc(C)c(CN(C)CCN(C)C2CC[NH+](C)CC2)c(C)n1 ZINC000349082772 286205554 /nfs/dbraw/zinc/20/55/54/286205554.db2.gz XRNRLIWCOGEPEO-UHFFFAOYSA-N 1 3 334.508 2.165 10 0 EEAEHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N(C)C(=O)[C@@]1(F)CCNC1 ZINC000246219877 160268950 /nfs/dbraw/zinc/26/89/50/160268950.db2.gz GOYQFSWHWFJLHU-JXXFODFXSA-N 1 3 347.478 2.303 10 0 EEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000246386490 160276788 /nfs/dbraw/zinc/27/67/88/160276788.db2.gz KGOMRLXNTDJDAM-NZSAHSFTSA-N 1 3 346.519 2.187 10 0 EEAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000246386490 160276790 /nfs/dbraw/zinc/27/67/90/160276790.db2.gz KGOMRLXNTDJDAM-NZSAHSFTSA-N 1 3 346.519 2.187 10 0 EEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000247530381 160327566 /nfs/dbraw/zinc/32/75/66/160327566.db2.gz ZTJSHXOYPOJHME-SJLPKXTDSA-N 1 3 332.492 2.146 10 0 EEAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000247530381 160327568 /nfs/dbraw/zinc/32/75/68/160327568.db2.gz ZTJSHXOYPOJHME-SJLPKXTDSA-N 1 3 332.492 2.146 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccccc1 ZINC000247985153 160335936 /nfs/dbraw/zinc/33/59/36/160335936.db2.gz IDYFZAPBQUUFJN-FCGDIQPGSA-N 1 3 342.487 2.310 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1c1ccccc1 ZINC000247985153 160335937 /nfs/dbraw/zinc/33/59/37/160335937.db2.gz IDYFZAPBQUUFJN-FCGDIQPGSA-N 1 3 342.487 2.310 10 0 EEAEHO CN(C)[C@@H](CNC(=O)C[NH2+]C1(CCO)CCCCC1)c1ccccc1 ZINC000355045186 163062321 /nfs/dbraw/zinc/06/23/21/163062321.db2.gz HDNOKVOGOKADJN-SFHVURJKSA-N 1 3 347.503 2.080 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N2CCN3CCC2CC3)[NH+](C)C)cc1 ZINC000375231478 167091944 /nfs/dbraw/zinc/09/19/44/167091944.db2.gz YDANYHJPERUTQF-SFHVURJKSA-N 1 3 330.476 2.087 10 0 EEAEHO CCC(CC)[C@@H](CNC(=O)N1CCN2CCC1CC2)[NH+]1CCCC1 ZINC000376631093 167363788 /nfs/dbraw/zinc/36/37/88/167363788.db2.gz ZDCIPXFEJDFKCS-GOSISDBHSA-N 1 3 336.524 2.377 10 0 EEAEHO C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000170861265 276872504 /nfs/dbraw/zinc/87/25/04/276872504.db2.gz JKVPRUVIBJZQGS-ROUUACIJSA-N 1 3 330.476 2.169 10 0 EEAEHO CCN1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000246587452 279319845 /nfs/dbraw/zinc/31/98/45/279319845.db2.gz SOORBCXTIKQSRI-BQFCYCMXSA-N 1 3 334.508 2.129 10 0 EEAEHO CCN1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000246587452 279319847 /nfs/dbraw/zinc/31/98/47/279319847.db2.gz SOORBCXTIKQSRI-BQFCYCMXSA-N 1 3 334.508 2.129 10 0 EEAEHO CN1CC[C@H]([NH2+]CC2(N3CCCCC3)CCOCC2)[C@H]2CCC[C@H]21 ZINC000353400585 290216262 /nfs/dbraw/zinc/21/62/62/290216262.db2.gz FWEGIJLVTXWMSL-CEXWTWQISA-N 1 3 335.536 2.484 10 0 EEAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)N(C)C ZINC000418159437 313728837 /nfs/dbraw/zinc/72/88/37/313728837.db2.gz AFSWHFKOWFSEHX-ATLSCFEFSA-N 1 3 332.492 2.283 10 0 EEAEHO CSc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)N(C)C)cc1 ZINC000418237687 313760745 /nfs/dbraw/zinc/76/07/45/313760745.db2.gz WCIRIBDJRUQGLV-VBNZEHGJSA-N 1 3 336.505 2.142 10 0 EEAEHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCN3CCC2CC3)cc1 ZINC000418366772 313795057 /nfs/dbraw/zinc/79/50/57/313795057.db2.gz YUFMTRMBYXRFBC-SFHVURJKSA-N 1 3 330.476 2.299 10 0 EEAEHO C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000498014735 316332582 /nfs/dbraw/zinc/33/25/82/316332582.db2.gz KXZYLTVRDNNCQP-DZKIICNBSA-N 1 3 338.521 2.380 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000563374413 319002611 /nfs/dbraw/zinc/00/26/11/319002611.db2.gz PSTSYAYYQFKPSY-KRWDZBQOSA-N 1 3 345.487 2.119 10 0 EEAEHO CC(C)[NH+](CCNC(=O)N1CCc2ccccc2[C@@H]1CN)C(C)C ZINC000563621595 319031478 /nfs/dbraw/zinc/03/14/78/319031478.db2.gz ANTFEOCXSVMEGV-SFHVURJKSA-N 1 3 332.492 2.373 10 0 EEAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000113578002 462603337 /nfs/dbraw/zinc/60/33/37/462603337.db2.gz XWUBITPKQIRPLQ-NXHRZFHOSA-N 1 3 330.476 2.167 10 0 EEAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000113578002 462603343 /nfs/dbraw/zinc/60/33/43/462603343.db2.gz XWUBITPKQIRPLQ-NXHRZFHOSA-N 1 3 330.476 2.167 10 0 EEAEHO C[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)N(C)Cc1ccccc1 ZINC000113620667 462608166 /nfs/dbraw/zinc/60/81/66/462608166.db2.gz ZVSIVRHTNOIUTN-ZHALLVOQSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@H](CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C)N(C)Cc1ccccc1 ZINC000113620667 462608172 /nfs/dbraw/zinc/60/81/72/462608172.db2.gz ZVSIVRHTNOIUTN-ZHALLVOQSA-N 1 3 344.503 2.385 10 0 EEAEHO CN(C)[C@H]1CCCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000072274283 463491904 /nfs/dbraw/zinc/49/19/04/463491904.db2.gz YZASYDWTAQWBON-SFHVURJKSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N(Cc2ccco2)C2CCN(C)CC2)CC[N@@H+]1C ZINC000279428366 464104404 /nfs/dbraw/zinc/10/44/04/464104404.db2.gz MDCIUXRVOXLRPC-HOTGVXAUSA-N 1 3 333.476 2.433 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N(Cc2ccco2)C2CCN(C)CC2)CC[N@H+]1C ZINC000279428366 464104409 /nfs/dbraw/zinc/10/44/09/464104409.db2.gz MDCIUXRVOXLRPC-HOTGVXAUSA-N 1 3 333.476 2.433 10 0 EEAEHO CCN1CCN(CCC[NH2+][C@@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000281188527 464364842 /nfs/dbraw/zinc/36/48/42/464364842.db2.gz JEYAIFODRZDCCU-GOSISDBHSA-N 1 3 335.467 2.439 10 0 EEAEHO CCCN1CCC([NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000189053600 464423845 /nfs/dbraw/zinc/42/38/45/464423845.db2.gz CHULIEZROKHDRX-SFHVURJKSA-N 1 3 333.451 2.391 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC(C)CC2)[C@@H](C)C1 ZINC000246527477 464595802 /nfs/dbraw/zinc/59/58/02/464595802.db2.gz VOMXXISUIWPPER-BZSNNMDCSA-N 1 3 338.540 2.479 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC(C)CC2)[C@@H](C)C1 ZINC000246527477 464595809 /nfs/dbraw/zinc/59/58/09/464595809.db2.gz VOMXXISUIWPPER-BZSNNMDCSA-N 1 3 338.540 2.479 10 0 EEAEHO C[C@H](NC(=O)N1CCN2CCC[C@@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182895945 464752757 /nfs/dbraw/zinc/75/27/57/464752757.db2.gz VBTFOCIWZRXQKL-LZLYRXPVSA-N 1 3 334.508 2.129 10 0 EEAEHO C[C@H](NC(=O)N1CCN2CCC[C@@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182895945 464752761 /nfs/dbraw/zinc/75/27/61/464752761.db2.gz VBTFOCIWZRXQKL-LZLYRXPVSA-N 1 3 334.508 2.129 10 0 EEAEHO CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000248555877 464763608 /nfs/dbraw/zinc/76/36/08/464763608.db2.gz BKCSQNCXBFLQDF-ZWKOTPCHSA-N 1 3 330.476 2.167 10 0 EEAEHO CN(CC[N@@H+](C)C1CC1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000248555877 464763609 /nfs/dbraw/zinc/76/36/09/464763609.db2.gz BKCSQNCXBFLQDF-ZWKOTPCHSA-N 1 3 330.476 2.167 10 0 EEAEHO CC[C@H](Cn1cncn1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000353430940 465876647 /nfs/dbraw/zinc/87/66/47/465876647.db2.gz XJGCEBYTMREBQA-GOSISDBHSA-N 1 3 343.475 2.321 10 0 EEAEHO CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000340478592 466113122 /nfs/dbraw/zinc/11/31/22/466113122.db2.gz SAZAYXQFAYKYFB-RBUKOAKNSA-N 1 3 327.476 2.211 10 0 EEAEHO CC[C@H](Cn1cncn1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000340478592 466113131 /nfs/dbraw/zinc/11/31/31/466113131.db2.gz SAZAYXQFAYKYFB-RBUKOAKNSA-N 1 3 327.476 2.211 10 0 EEAEHO CC[C@H](Cn1cncn1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000340478592 466113139 /nfs/dbraw/zinc/11/31/39/466113139.db2.gz SAZAYXQFAYKYFB-RBUKOAKNSA-N 1 3 327.476 2.211 10 0 EEAEHO C[C@H]1CN(CCCC[NH2+]Cc2cc(-c3cccnc3)n[nH]2)C[C@H](C)O1 ZINC000368452664 466640387 /nfs/dbraw/zinc/64/03/87/466640387.db2.gz DEVLRVIQSGBVFK-HOTGVXAUSA-N 1 3 343.475 2.451 10 0 EEAEHO CSc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000411760586 466895202 /nfs/dbraw/zinc/89/52/02/466895202.db2.gz SMPPXPBIHROWLF-MAUKXSAKSA-N 1 3 336.501 2.176 10 0 EEAEHO CSc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000411760586 466895206 /nfs/dbraw/zinc/89/52/06/466895206.db2.gz SMPPXPBIHROWLF-MAUKXSAKSA-N 1 3 336.501 2.176 10 0 EEAEHO CCN(Cc1ccccc1)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424282780 467020285 /nfs/dbraw/zinc/02/02/85/467020285.db2.gz ALRCKXPVQWYJJN-KRWDZBQOSA-N 1 3 329.488 2.499 10 0 EEAEHO CCC[NH2+]CCNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418042916 467032679 /nfs/dbraw/zinc/03/26/79/467032679.db2.gz MLRZJYMBUKJAAO-LJQANCHMSA-N 1 3 332.492 2.340 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000418140042 467057644 /nfs/dbraw/zinc/05/76/44/467057644.db2.gz KOFHYSXQTWYPJI-ATZDWAIDSA-N 1 3 344.503 2.194 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000418196572 467072600 /nfs/dbraw/zinc/07/26/00/467072600.db2.gz RIJMQSNCFSLXBX-OWYHZJEWSA-N 1 3 342.487 2.043 10 0 EEAEHO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1 ZINC000418466350 467114744 /nfs/dbraw/zinc/11/47/44/467114744.db2.gz RECABNWVHYEYJM-BEFAXECRSA-N 1 3 330.476 2.334 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000418577013 467131025 /nfs/dbraw/zinc/13/10/25/467131025.db2.gz OQWHMLKZWSCSKY-WQVCFCJDSA-N 1 3 338.883 2.240 10 0 EEAEHO CN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418773091 467157801 /nfs/dbraw/zinc/15/78/01/467157801.db2.gz QCRYICFITNCRRN-RBUKOAKNSA-N 1 3 344.503 2.435 10 0 EEAEHO CCOC(=O)c1csc(C2CCN(CC[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000420365581 467380071 /nfs/dbraw/zinc/38/00/71/467380071.db2.gz FACNXGPBIHEZOT-ZDUSSCGKSA-N 1 3 337.489 2.499 10 0 EEAEHO C[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CCN1C ZINC000397499340 467442647 /nfs/dbraw/zinc/44/26/47/467442647.db2.gz FKHNNDSIJLRVTI-MJGOQNOKSA-N 1 3 331.504 2.086 10 0 EEAEHO C[C@H]1C[NH2+]CC[C@H]1NCc1ccccc1N(C)C1CCN(C)CC1 ZINC000414945133 467455493 /nfs/dbraw/zinc/45/54/93/467455493.db2.gz QZJYKBWJBNHXCG-QFBILLFUSA-N 1 3 330.520 2.305 10 0 EEAEHO C[C@H]1C[C@@H](NCC2(N3CCCCC3)CC[NH+](C)CC2)c2nccn21 ZINC000453113575 467460890 /nfs/dbraw/zinc/46/08/90/467460890.db2.gz FNGUFRYWRRLQHO-DLBZAZTESA-N 1 3 331.508 2.429 10 0 EEAEHO C[C@H]1C[C@@H](NCC2([NH+]3CCCCC3)CCN(C)CC2)c2nccn21 ZINC000453113575 467460894 /nfs/dbraw/zinc/46/08/94/467460894.db2.gz FNGUFRYWRRLQHO-DLBZAZTESA-N 1 3 331.508 2.429 10 0 EEAEHO CCN1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1=O ZINC000453369765 467483596 /nfs/dbraw/zinc/48/35/96/467483596.db2.gz STDMCNPWWYEISY-AKHDSKFASA-N 1 3 327.472 2.392 10 0 EEAEHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000458936304 467926526 /nfs/dbraw/zinc/92/65/26/467926526.db2.gz NCNYTCQEYZALOE-ZWKOTPCHSA-N 1 3 334.508 2.153 10 0 EEAEHO COC[C@@H](C)CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000514757765 467953013 /nfs/dbraw/zinc/95/30/13/467953013.db2.gz DQWFGHYHBDZMNV-ICSRJNTNSA-N 1 3 331.504 2.161 10 0 EEAEHO COC[C@@H](C)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000514757765 467953015 /nfs/dbraw/zinc/95/30/15/467953015.db2.gz DQWFGHYHBDZMNV-ICSRJNTNSA-N 1 3 331.504 2.161 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582895003 468612817 /nfs/dbraw/zinc/61/28/17/468612817.db2.gz WDEAVVUUEVVGQO-XLIONFOSSA-N 1 3 344.503 2.292 10 0 EEAEHO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000583082935 468642014 /nfs/dbraw/zinc/64/20/14/468642014.db2.gz RNIHWZZEYASVSV-OAHLLOKOSA-N 1 3 342.447 2.133 10 0 EEAEHO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000583082935 468642017 /nfs/dbraw/zinc/64/20/17/468642017.db2.gz RNIHWZZEYASVSV-OAHLLOKOSA-N 1 3 342.447 2.133 10 0 EEAEHO C[C@@H](CSCCF)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000595031220 468746007 /nfs/dbraw/zinc/74/60/07/468746007.db2.gz ATVRYEWEABVYFB-WMLDXEAASA-N 1 3 326.481 2.434 10 0 EEAEHO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000601269349 468806147 /nfs/dbraw/zinc/80/61/47/468806147.db2.gz RAQINGNAOJCPTG-RBUKOAKNSA-N 1 3 346.519 2.331 10 0 EEAEHO CCOC(=O)C[C@@H](O)CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000599280448 469188926 /nfs/dbraw/zinc/18/89/26/469188926.db2.gz AFKBVLKEOAUCQX-LJQANCHMSA-N 1 3 348.487 2.145 10 0 EEAEHO CCOC(=O)C[C@@H](O)CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000599280448 469188932 /nfs/dbraw/zinc/18/89/32/469188932.db2.gz AFKBVLKEOAUCQX-LJQANCHMSA-N 1 3 348.487 2.145 10 0 EEAEHO CN(CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)Cc1ccccc1 ZINC000623494124 469674508 /nfs/dbraw/zinc/67/45/08/469674508.db2.gz CORLUAAXKWWCHW-LJQANCHMSA-N 1 3 344.503 2.435 10 0 EEAEHO CN(CCNC(=O)NC[C@H]1CC[N@H+]1C1CCCC1)Cc1ccccc1 ZINC000623494124 469674512 /nfs/dbraw/zinc/67/45/12/469674512.db2.gz CORLUAAXKWWCHW-LJQANCHMSA-N 1 3 344.503 2.435 10 0 EEAEHO Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000617503591 469700344 /nfs/dbraw/zinc/70/03/44/469700344.db2.gz PQEWSLGUUYUHQE-IRXDYDNUSA-N 1 3 335.492 2.151 10 0 EEAEHO Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000617503591 469700348 /nfs/dbraw/zinc/70/03/48/469700348.db2.gz PQEWSLGUUYUHQE-IRXDYDNUSA-N 1 3 335.492 2.151 10 0 EEAEHO C[C@H](CNC(=O)NC[C@@H]1CCN1C1CCCCC1)C[NH+]1CCCC1 ZINC000623713049 469741204 /nfs/dbraw/zinc/74/12/04/469741204.db2.gz RHQDJXAHYXCJPM-AEFFLSMTSA-N 1 3 336.524 2.425 10 0 EEAEHO CCN(C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000627206281 469845111 /nfs/dbraw/zinc/84/51/11/469845111.db2.gz YCMHKSGKVVGMCY-UHOSZYNNSA-N 1 3 344.503 2.433 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)C3(C(F)F)CCC3)CC2)CC1 ZINC000630863166 470015489 /nfs/dbraw/zinc/01/54/89/470015489.db2.gz RRZIXZXLRDCERI-UHFFFAOYSA-N 1 3 329.435 2.097 10 0 EEAEHO COCC[NH+](CCOC)C1CCN(C[C@]2(C)CCCS2)CC1 ZINC000628274875 470084930 /nfs/dbraw/zinc/08/49/30/470084930.db2.gz PTHOIFBSDQHSDF-KRWDZBQOSA-N 1 3 330.538 2.331 10 0 EEAEHO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1 ZINC000646911760 470772320 /nfs/dbraw/zinc/77/23/20/470772320.db2.gz GIEQAEYRUHHEPZ-PKOBYXMFSA-N 1 3 345.487 2.183 10 0 EEAEHO CC[C@@H]1CN(C(=O)c2ccc(N3CCN(CC)CC3)cc2)CC[C@@H]1[NH3+] ZINC000647011646 470804608 /nfs/dbraw/zinc/80/46/08/470804608.db2.gz IMCAZLMUYBTLEY-APWZRJJASA-N 1 3 344.503 2.028 10 0 EEAEHO c1cc(OCCN2CCCC2)ccc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000647502815 470916028 /nfs/dbraw/zinc/91/60/28/470916028.db2.gz KJYYFHUYNVEFCB-IBGZPJMESA-N 1 3 329.488 2.488 10 0 EEAEHO CC1CC[NH+](CCc2cccc(NC(=O)COC3(C)CNC3)c2)CC1 ZINC000648165180 471107294 /nfs/dbraw/zinc/10/72/94/471107294.db2.gz REXCFCDWQPUCDE-UHFFFAOYSA-N 1 3 345.487 2.278 10 0 EEAEHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000640941590 471130208 /nfs/dbraw/zinc/13/02/08/471130208.db2.gz RVGOBLUMWKAMJL-PKOBYXMFSA-N 1 3 344.503 2.210 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652137170 471242792 /nfs/dbraw/zinc/24/27/92/471242792.db2.gz BRKOBBHSWJTEBQ-NVXWUHKLSA-N 1 3 330.476 2.250 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652241195 471260704 /nfs/dbraw/zinc/26/07/04/471260704.db2.gz ZHXODGBXHGFCMJ-QGZVFWFLSA-N 1 3 344.503 2.421 10 0 EEAEHO CO[C@H](C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1)[C@@H]1CCOC1 ZINC000658075172 471264784 /nfs/dbraw/zinc/26/47/84/471264784.db2.gz WLDXHLGHIYSHBN-SZVBFZGTSA-N 1 3 336.476 2.329 10 0 EEAEHO Cc1ccccc1CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663461097 471388540 /nfs/dbraw/zinc/38/85/40/471388540.db2.gz GMWTUSZJIWQGTD-KRWDZBQOSA-N 1 3 334.508 2.109 10 0 EEAEHO Cc1ccccc1CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663461097 471388546 /nfs/dbraw/zinc/38/85/46/471388546.db2.gz GMWTUSZJIWQGTD-KRWDZBQOSA-N 1 3 334.508 2.109 10 0 EEAEHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCc1ccc2c(c1)CNC2 ZINC000669469224 471509375 /nfs/dbraw/zinc/50/93/75/471509375.db2.gz DHIQVRAQSCYDLG-GASCZTMLSA-N 1 3 330.476 2.352 10 0 EEAEHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCc1ccc2c(c1)CNC2 ZINC000669469224 471509380 /nfs/dbraw/zinc/50/93/80/471509380.db2.gz DHIQVRAQSCYDLG-GASCZTMLSA-N 1 3 330.476 2.352 10 0 EEAEHO C[C@@]1(CNC(=O)N[C@H]2CCC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000669565857 471560440 /nfs/dbraw/zinc/56/04/40/471560440.db2.gz NNDCVTXWXYWYQT-HKUYNNGSSA-N 1 3 330.476 2.092 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000659423106 471619345 /nfs/dbraw/zinc/61/93/45/471619345.db2.gz IYFSFMXJWJAZRD-QZTJIDSGSA-N 1 3 332.492 2.496 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000659434028 471625920 /nfs/dbraw/zinc/62/59/20/471625920.db2.gz IJUXXZJNGNKIDQ-GOSISDBHSA-N 1 3 332.492 2.107 10 0 EEAEHO CCN(C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)[C@H]1CCN(CC)C1 ZINC000664498796 471770652 /nfs/dbraw/zinc/77/06/52/471770652.db2.gz OHUKFDKDCGCEBB-ROUUACIJSA-N 1 3 338.540 2.480 10 0 EEAEHO CCN(C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1CCN(CC)C1 ZINC000664498796 471770657 /nfs/dbraw/zinc/77/06/57/471770657.db2.gz OHUKFDKDCGCEBB-ROUUACIJSA-N 1 3 338.540 2.480 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667731356 471883713 /nfs/dbraw/zinc/88/37/13/471883713.db2.gz QLQYYAYQDAZCCC-SFHVURJKSA-N 1 3 326.444 2.440 10 0 EEAEHO OC1CCN(Cc2ccc(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000667756579 471893848 /nfs/dbraw/zinc/89/38/48/471893848.db2.gz ZOBKEEOHVOVHAY-UYAOXDASSA-N 1 3 330.472 2.300 10 0 EEAEHO CC[NH+](CC)CCN(Cc1ccccc1)C[C@H]1CCC2(CNC2)O1 ZINC000662261440 472048097 /nfs/dbraw/zinc/04/80/97/472048097.db2.gz YKLHYQXZMCWNSZ-LJQANCHMSA-N 1 3 331.504 2.351 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C)C(C)(C)C1 ZINC000665760960 472175416 /nfs/dbraw/zinc/17/54/16/472175416.db2.gz TUVSLPICEDXYJQ-CVEARBPZSA-N 1 3 326.529 2.336 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C)C(C)(C)C1 ZINC000665760960 472175419 /nfs/dbraw/zinc/17/54/19/472175419.db2.gz TUVSLPICEDXYJQ-CVEARBPZSA-N 1 3 326.529 2.336 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000665760772 472175731 /nfs/dbraw/zinc/17/57/31/472175731.db2.gz OTMBQENVGLQANH-LNLFQRSKSA-N 1 3 338.540 2.480 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000665760772 472175734 /nfs/dbraw/zinc/17/57/34/472175734.db2.gz OTMBQENVGLQANH-LNLFQRSKSA-N 1 3 338.540 2.480 10 0 EEAEHO Cc1ccccc1CCN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665763865 472176703 /nfs/dbraw/zinc/17/67/03/472176703.db2.gz NNPKOCKHUUCCPN-SFHVURJKSA-N 1 3 348.535 2.451 10 0 EEAEHO Cc1ccccc1CCN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665763865 472176711 /nfs/dbraw/zinc/17/67/11/472176711.db2.gz NNPKOCKHUUCCPN-SFHVURJKSA-N 1 3 348.535 2.451 10 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CC(C)N1CCN(c2ccc(C(=O)NC3CC([NH+](C)C)C3)cc2)CC1 ZINC000773486822 577346199 /nfs/dbraw/zinc/34/61/99/577346199.db2.gz JPSFGSKDOWEPBD-UHFFFAOYSA-N 1 3 344.503 2.039 10 0 EEAEHO C[NH+](C)CCCNC(=S)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000777483203 577479572 /nfs/dbraw/zinc/47/95/72/577479572.db2.gz LORKXLNBTSPTMV-IBGZPJMESA-N 1 3 348.560 2.457 10 0 EEAEHO Cc1ccccc1OCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266599315 1176917037 /nfs/dbraw/zinc/91/70/37/1176917037.db2.gz GMQIWRIYLCYOQR-LNLFQRSKSA-N 1 3 347.503 2.197 10 0 EEAEHO Cc1cccnc1CN1CCC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001266765929 1177379579 /nfs/dbraw/zinc/37/95/79/1177379579.db2.gz BOUPHPKREPVZHZ-GOSISDBHSA-N 1 3 346.519 2.450 10 0 EEAEHO COCC[N@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001267319847 1178749429 /nfs/dbraw/zinc/74/94/29/1178749429.db2.gz UXTXQNISVIPECS-GOSISDBHSA-N 1 3 345.503 2.062 10 0 EEAEHO COCC[N@@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001267319847 1178749435 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C[C@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)CN(C)C1CCC1 ZINC001268068079 1181664862 /nfs/dbraw/zinc/66/48/62/1181664862.db2.gz JMYPOMJFBYKUQR-OAHLLOKOSA-N 1 3 335.467 2.289 10 0 EEAEHO Cc1oncc1CNC[C@@](C)(NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001481933135 1182980946 /nfs/dbraw/zinc/98/09/46/1182980946.db2.gz XQFDRQIMBSZBQE-IEBWSBKVSA-N 1 3 348.491 2.232 10 0 EEAEHO Cc1oncc1CNC[C@@](C)(NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001481933135 1182980949 /nfs/dbraw/zinc/98/09/49/1182980949.db2.gz XQFDRQIMBSZBQE-IEBWSBKVSA-N 1 3 348.491 2.232 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@](C)(CNCc1cc(F)ccc1F)C1CC1 ZINC001481941957 1183001901 /nfs/dbraw/zinc/00/19/01/1183001901.db2.gz YSFZZYGSGKJMTN-GOSISDBHSA-N 1 3 339.430 2.291 10 0 EEAEHO Cc1ncoc1CNC[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001481963355 1183036941 /nfs/dbraw/zinc/03/69/41/1183036941.db2.gz VRNUDIVONSRDND-KSSFIOAISA-N 1 3 336.480 2.089 10 0 EEAEHO CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1cccc(Cl)n1 ZINC001269493563 1184315369 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EEAEHO CC[C@H](C(=O)N(C)CC[N@@H+](C)CC[C@H]1CC1(Cl)Cl)N(C)C ZINC001482606840 1187362534 /nfs/dbraw/zinc/36/25/34/1187362534.db2.gz WXIXGJDJLDXFMZ-QWHCGFSZSA-N 1 3 338.323 2.301 10 0 EEAEHO CN(C)C1(C(=O)NC/C=C\C[NH2+]Cc2ccc(CF)cc2)CCC1 ZINC001483017763 1188004873 /nfs/dbraw/zinc/00/48/73/1188004873.db2.gz MGGLELRDPXMWNG-ARJAWSKDSA-N 1 3 333.451 2.402 10 0 EEAEHO CCCN(C)CC(=O)NC1CC(C[NH2+]Cc2cnc(Cl)s2)C1 ZINC001409289429 1188602057 /nfs/dbraw/zinc/60/20/57/1188602057.db2.gz QQVKUXMXXHZWFN-UHFFFAOYSA-N 1 3 344.912 2.123 10 0 EEAEHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2(N(C)C)CCC2)c(C)n1 ZINC001485883003 1193628574 /nfs/dbraw/zinc/62/85/74/1193628574.db2.gz YWLZQQMGRUVMDH-HNNXBMFYSA-N 1 3 332.492 2.119 10 0 EEAEHO C[C@@H](NCc1ccccc1Cl)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001409419998 1189648854 /nfs/dbraw/zinc/64/88/54/1189648854.db2.gz LJTGMLNNPKCWIL-ZIAGYGMSSA-N 1 3 335.879 2.419 10 0 EEAEHO Cc1cc(C)cc(OCC[NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001483235483 1189985233 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EEAEHO C[C@@H](NC1(CNC(=O)C23CC[NH+](CC2)C3)CC1)c1ccc(F)c(F)c1 ZINC001483782647 1191035300 /nfs/dbraw/zinc/03/53/00/1191035300.db2.gz CVXWXOUPHZTANC-CYBMUJFWSA-N 1 3 349.425 2.360 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]C/C=C\Cl)CC2)C1 ZINC001484571760 1191424564 /nfs/dbraw/zinc/42/45/64/1191424564.db2.gz HSDLYCWODFLSRO-ZHXFTVOOSA-N 1 3 327.900 2.345 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@H+](C)CCC[C@H]1CCOC1 ZINC001485080931 1191650039 /nfs/dbraw/zinc/65/00/39/1191650039.db2.gz XQVKLVLUQWALPR-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CCC[C@H]1CCOC1 ZINC001485080931 1191650041 /nfs/dbraw/zinc/65/00/41/1191650041.db2.gz XQVKLVLUQWALPR-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO COc1ccc(CC[NH2+][C@@H](C)[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001485155828 1191668244 /nfs/dbraw/zinc/66/82/44/1191668244.db2.gz LGWLDRSRFSTJGM-HOTGVXAUSA-N 1 3 347.503 2.205 10 0 EEAEHO Cc1cccnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001486220528 1193758442 /nfs/dbraw/zinc/75/84/42/1193758442.db2.gz MLGUMQVBGRNNDA-DLBZAZTESA-N 1 3 332.492 2.105 10 0 EEAEHO CC(C)OCC[NH+]1CCC([C@@H](C)NC(=O)CN(C)C2CCC2)CC1 ZINC001486437642 1193957042 /nfs/dbraw/zinc/95/70/42/1193957042.db2.gz DSQFMCKJMOIUCA-MRXNPFEDSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1nocc1CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001410307915 1197669225 /nfs/dbraw/zinc/66/92/25/1197669225.db2.gz GEGALWBSEFSRIQ-QZTJIDSGSA-N 1 3 348.491 2.182 10 0 EEAEHO Cc1nocc1CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001410307915 1197669229 /nfs/dbraw/zinc/66/92/29/1197669229.db2.gz GEGALWBSEFSRIQ-QZTJIDSGSA-N 1 3 348.491 2.182 10 0 EEAEHO Cc1csc([C@@H]2CC[N@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)n1 ZINC000872150318 1198057129 /nfs/dbraw/zinc/05/71/29/1198057129.db2.gz ZNJPVIAVPYEYKZ-IKGGRYGDSA-N 1 3 331.485 2.172 10 0 EEAEHO Cc1csc([C@@H]2CC[N@@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)n1 ZINC000872150318 1198057136 /nfs/dbraw/zinc/05/71/36/1198057136.db2.gz ZNJPVIAVPYEYKZ-IKGGRYGDSA-N 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CCN1CCN(c2ccccc2N[C@@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000422922880 240293514 /nfs/dbraw/zinc/29/35/14/240293514.db2.gz RBXYOOZZIHEZJX-IRXDYDNUSA-N 1 3 332.492 2.007 10 0 EEAEHO CCOC(=O)C1([C@@H](C)N[C@@H](CO)c2sccc2C)CC[NH2+]CC1 ZINC000422988952 240319273 /nfs/dbraw/zinc/31/92/73/240319273.db2.gz JZVYBZGPEVJJFZ-KGLIPLIRSA-N 1 3 340.489 2.001 10 0 EEAEHO C[C@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000268602592 252059094 /nfs/dbraw/zinc/05/90/94/252059094.db2.gz VGOBTDAZMNADBZ-APWZRJJASA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000268602592 252059097 /nfs/dbraw/zinc/05/90/97/252059097.db2.gz VGOBTDAZMNADBZ-APWZRJJASA-N 1 3 344.503 2.385 10 0 EEAEHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000247022981 256015360 /nfs/dbraw/zinc/01/53/60/256015360.db2.gz LVYWPIGOTRUKBO-KGLIPLIRSA-N 1 3 325.478 2.051 10 0 EEAEHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000247022981 256015361 /nfs/dbraw/zinc/01/53/61/256015361.db2.gz LVYWPIGOTRUKBO-KGLIPLIRSA-N 1 3 325.478 2.051 10 0 EEAEHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000247022981 256015362 /nfs/dbraw/zinc/01/53/62/256015362.db2.gz LVYWPIGOTRUKBO-KGLIPLIRSA-N 1 3 325.478 2.051 10 0 EEAEHO CN(C)CCN(C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119608353 292246682 /nfs/dbraw/zinc/24/66/82/292246682.db2.gz TUJUPVBRQJZVMB-IBGZPJMESA-N 1 3 332.492 2.244 10 0 EEAEHO CN(C)CCN(C)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000119608353 292246683 /nfs/dbraw/zinc/24/66/83/292246683.db2.gz TUJUPVBRQJZVMB-IBGZPJMESA-N 1 3 332.492 2.244 10 0 EEAEHO C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000343555839 161146264 /nfs/dbraw/zinc/14/62/64/161146264.db2.gz FZXRXSYGZJHFRY-CTNGQTDRSA-N 1 3 344.547 2.124 10 0 EEAEHO C[C@@H]1CN(C)C[C@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000343555850 161146345 /nfs/dbraw/zinc/14/63/45/161146345.db2.gz FZXRXSYGZJHFRY-TZIWHRDSSA-N 1 3 344.547 2.124 10 0 EEAEHO CC[NH+](CC)CCSCC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000345502218 161306554 /nfs/dbraw/zinc/30/65/54/161306554.db2.gz HFVQHJJKHHHVAJ-IYBDPMFKSA-N 1 3 329.554 2.441 10 0 EEAEHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCCc3n[nH]cc32)C1 ZINC000375898703 167221433 /nfs/dbraw/zinc/22/14/33/167221433.db2.gz WKJGIAHYUUPMPS-AEFFLSMTSA-N 1 3 326.444 2.144 10 0 EEAEHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCCc3n[nH]cc32)C1 ZINC000375898703 167221436 /nfs/dbraw/zinc/22/14/36/167221436.db2.gz WKJGIAHYUUPMPS-AEFFLSMTSA-N 1 3 326.444 2.144 10 0 EEAEHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000414861826 299005032 /nfs/dbraw/zinc/00/50/32/299005032.db2.gz WUYHGNSHSYPLNB-KKUMJFAQSA-N 1 3 346.475 2.024 10 0 EEAEHO CC[C@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N(C)C ZINC000373416043 287487229 /nfs/dbraw/zinc/48/72/29/287487229.db2.gz FSYPSUCHXYIJKA-JXQTWKCFSA-N 1 3 335.414 2.248 10 0 EEAEHO Cc1ccncc1CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000289868787 275156809 /nfs/dbraw/zinc/15/68/09/275156809.db2.gz RCRXWLUCBBPNLK-UHFFFAOYSA-N 1 3 344.503 2.204 10 0 EEAEHO COc1ccccc1/C=C\CNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414971308 313117761 /nfs/dbraw/zinc/11/77/61/313117761.db2.gz IAWPQRGMRRCORB-LEXSJLIMSA-N 1 3 343.393 2.134 10 0 EEAEHO CN(C)[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000416800642 313319267 /nfs/dbraw/zinc/31/92/67/313319267.db2.gz FQEWYWPNODKJOY-MSOLQXFVSA-N 1 3 326.444 2.289 10 0 EEAEHO [NH3+][C@H](CNC(=O)NCc1ccccc1CN1CCCCC1)C1CC1 ZINC000416899109 313354030 /nfs/dbraw/zinc/35/40/30/313354030.db2.gz DUVVGJDJPXDNFS-GOSISDBHSA-N 1 3 330.476 2.209 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418501845 313831195 /nfs/dbraw/zinc/83/11/95/313831195.db2.gz SVDOAWWQJOACBB-BVGQSLNGSA-N 1 3 326.444 2.137 10 0 EEAEHO CC[C@H](NCC1(N2CCCCC2)CC[NH+](C)CC1)c1ccn(C)n1 ZINC000544566007 318191311 /nfs/dbraw/zinc/19/13/11/318191311.db2.gz RBLDIYZZRZVKLA-KRWDZBQOSA-N 1 3 333.524 2.411 10 0 EEAEHO COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCCCN1CCN(C)CC1 ZINC000546686439 318260624 /nfs/dbraw/zinc/26/06/24/318260624.db2.gz VHZVAXOKCNSZBA-SFHVURJKSA-N 1 3 335.467 2.439 10 0 EEAEHO OC1(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CCC1 ZINC000564861208 319119278 /nfs/dbraw/zinc/11/92/78/319119278.db2.gz ZLIATPDXZZLQGC-LJQANCHMSA-N 1 3 344.499 2.420 10 0 EEAEHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000576940779 320217940 /nfs/dbraw/zinc/21/79/40/320217940.db2.gz CTPXZVVIAIJSIH-LPHOPBHVSA-N 1 3 344.503 2.232 10 0 EEAEHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000576940779 320217942 /nfs/dbraw/zinc/21/79/42/320217942.db2.gz CTPXZVVIAIJSIH-LPHOPBHVSA-N 1 3 344.503 2.232 10 0 EEAEHO C[C@@H](CNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)N(C)C1CC1 ZINC000580412287 324056759 /nfs/dbraw/zinc/05/67/59/324056759.db2.gz OTXAJHSIZGUXJK-VHSSKADRSA-N 1 3 348.466 2.135 10 0 EEAEHO CCc1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)nc1 ZINC000339090868 465075886 /nfs/dbraw/zinc/07/58/86/465075886.db2.gz ZMDXCIQRWZPZHG-UHFFFAOYSA-N 1 3 330.520 2.494 10 0 EEAEHO CO[C@@H](C)CN(CC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)C ZINC000354828322 465176784 /nfs/dbraw/zinc/17/67/84/465176784.db2.gz BAWTUMKHOAGJNG-FUHWJXTLSA-N 1 3 335.492 2.151 10 0 EEAEHO CO[C@@H](C)CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000354828322 465176790 /nfs/dbraw/zinc/17/67/90/465176790.db2.gz BAWTUMKHOAGJNG-FUHWJXTLSA-N 1 3 335.492 2.151 10 0 EEAEHO CN(C)CCOCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000339358790 465222433 /nfs/dbraw/zinc/22/24/33/465222433.db2.gz LOEZYBIPYPJQTB-AWEZNQCLSA-N 1 3 341.293 2.474 10 0 EEAEHO CC(C)(CNC(=O)[C@@H]1CCCN1C1CCOCC1)[NH+]1CCCCC1 ZINC000153436597 462650339 /nfs/dbraw/zinc/65/03/39/462650339.db2.gz DMAOKLFBASOLAY-KRWDZBQOSA-N 1 3 337.508 2.011 10 0 EEAEHO CCC[NH+]1CCC(CNC(=O)N(CCN(C)C)CC(C)C)CC1 ZINC000157718508 463161858 /nfs/dbraw/zinc/16/18/58/463161858.db2.gz NYIFUIANNIFCDE-UHFFFAOYSA-N 1 3 326.529 2.338 10 0 EEAEHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000054510773 463239272 /nfs/dbraw/zinc/23/92/72/463239272.db2.gz QTLNPDIXHDIIRL-MOPGFXCFSA-N 1 3 346.519 2.190 10 0 EEAEHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000054510773 463239273 /nfs/dbraw/zinc/23/92/73/463239273.db2.gz QTLNPDIXHDIIRL-MOPGFXCFSA-N 1 3 346.519 2.190 10 0 EEAEHO Cc1nc2ccccc2nc1CN(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069948366 463355900 /nfs/dbraw/zinc/35/59/00/463355900.db2.gz BEAJAGZNZQRIJX-OAHLLOKOSA-N 1 3 342.487 2.463 10 0 EEAEHO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000073793560 463656811 /nfs/dbraw/zinc/65/68/11/463656811.db2.gz NOVOUQZLNADGNJ-MOPGFXCFSA-N 1 3 346.519 2.285 10 0 EEAEHO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000261606140 463798894 /nfs/dbraw/zinc/79/88/94/463798894.db2.gz DMRCBDXGSXUSCR-GIOYIUAESA-N 1 3 349.519 2.044 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000579572199 468378145 /nfs/dbraw/zinc/37/81/45/468378145.db2.gz LTUQBUNUSXTABW-FPAYPSAMSA-N 1 3 344.503 2.337 10 0 EEAEHO CN1CC[C@H](NC(=O)NCC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000179139442 464065219 /nfs/dbraw/zinc/06/52/19/464065219.db2.gz QHXWQMOPUUNCCG-ZWKOTPCHSA-N 1 3 330.476 2.073 10 0 EEAEHO C[C@H](Cn1cncn1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272425889 464603120 /nfs/dbraw/zinc/60/31/20/464603120.db2.gz OVCVPWXWADXNHE-OQIJWPOYSA-N 1 3 325.460 2.452 10 0 EEAEHO C[C@H](Cn1cncn1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272425889 464603125 /nfs/dbraw/zinc/60/31/25/464603125.db2.gz OVCVPWXWADXNHE-OQIJWPOYSA-N 1 3 325.460 2.452 10 0 EEAEHO CN1CCC(O)(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000265874439 464718412 /nfs/dbraw/zinc/71/84/12/464718412.db2.gz NEHJMNYSZFOXAH-UHFFFAOYSA-N 1 3 332.366 2.174 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000351802021 465369151 /nfs/dbraw/zinc/36/91/51/465369151.db2.gz YTWNYFJSHRZWHI-OALUTQOASA-N 1 3 346.519 2.333 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000351802021 465369154 /nfs/dbraw/zinc/36/91/54/465369154.db2.gz YTWNYFJSHRZWHI-OALUTQOASA-N 1 3 346.519 2.333 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000298920689 465541767 /nfs/dbraw/zinc/54/17/67/465541767.db2.gz GDJJOHPHEOLRSV-UHFFFAOYSA-N 1 3 333.476 2.231 10 0 EEAEHO CC(C)C[C@H]([NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C)C(=O)NCCN(C)C ZINC000361023319 465709554 /nfs/dbraw/zinc/70/95/54/465709554.db2.gz UWZFAZAKLDMATN-BBWFWOEESA-N 1 3 341.540 2.261 10 0 EEAEHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000341105978 466587925 /nfs/dbraw/zinc/58/79/25/466587925.db2.gz OSUYEIOXFRMXQE-QZTJIDSGSA-N 1 3 334.508 2.297 10 0 EEAEHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000341105978 466587928 /nfs/dbraw/zinc/58/79/28/466587928.db2.gz OSUYEIOXFRMXQE-QZTJIDSGSA-N 1 3 334.508 2.297 10 0 EEAEHO C[C@H](Cn1cc(Br)ccc1=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423281280 466709266 /nfs/dbraw/zinc/70/92/66/466709266.db2.gz UCDJAHSMYWCNEY-MBNYWOFBSA-N 1 3 342.281 2.106 10 0 EEAEHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423281280 466709270 /nfs/dbraw/zinc/70/92/70/466709270.db2.gz UCDJAHSMYWCNEY-MBNYWOFBSA-N 1 3 342.281 2.106 10 0 EEAEHO CCN(CC)CC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373419148 466798054 /nfs/dbraw/zinc/79/80/54/466798054.db2.gz ULQXFWWKNBSXIS-UHFFFAOYSA-N 1 3 335.414 2.250 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)[C@@H]1c1ccccc1 ZINC000417942478 466996126 /nfs/dbraw/zinc/99/61/26/466996126.db2.gz OAPKDYPKGSMWLO-CMKODMSKSA-N 1 3 342.487 2.217 10 0 EEAEHO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccnc(OCCN(C)C)c3)C[C@H]2C1 ZINC000424291863 467023937 /nfs/dbraw/zinc/02/39/37/467023937.db2.gz VLTRPZPKNQLDJD-KNCDZKKRSA-N 1 3 333.476 2.315 10 0 EEAEHO C[C@]1(CNC(=O)NCC[C@H]2CC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000418044863 467033503 /nfs/dbraw/zinc/03/35/03/467033503.db2.gz NMSYXZXUPNEOKG-YLJYHZDGSA-N 1 3 344.503 2.340 10 0 EEAEHO N[C@@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000418449852 467112981 /nfs/dbraw/zinc/11/29/81/467112981.db2.gz KXNBPOTXTHEUCE-ROUUACIJSA-N 1 3 326.444 2.466 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418501852 467121050 /nfs/dbraw/zinc/12/10/50/467121050.db2.gz SVDOAWWQJOACBB-XWIAVFTESA-N 1 3 326.444 2.137 10 0 EEAEHO COc1cnccc1N1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450896491 467199545 /nfs/dbraw/zinc/19/95/45/467199545.db2.gz NMCGOUIXUFEXKN-QGZVFWFLSA-N 1 3 332.492 2.475 10 0 EEAEHO COc1cnccc1N1CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450896491 467199548 /nfs/dbraw/zinc/19/95/48/467199548.db2.gz NMCGOUIXUFEXKN-QGZVFWFLSA-N 1 3 332.492 2.475 10 0 EEAEHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCCC1 ZINC000414058827 467371004 /nfs/dbraw/zinc/37/10/04/467371004.db2.gz HWXLAJLNJBAMHQ-ZDUSSCGKSA-N 1 3 342.281 2.075 10 0 EEAEHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@H]3CCCSC3)cc2)CC1 ZINC000414324567 467402477 /nfs/dbraw/zinc/40/24/77/467402477.db2.gz KPWGKHQNBIAJJN-SFHVURJKSA-N 1 3 347.528 2.369 10 0 EEAEHO C[C@]1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC(=O)N1 ZINC000453429994 467489180 /nfs/dbraw/zinc/48/91/80/467489180.db2.gz QTOBRFKXXZPJLD-AJYBTWMASA-N 1 3 327.472 2.440 10 0 EEAEHO C[C@]1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC(=O)N1 ZINC000453429994 467489184 /nfs/dbraw/zinc/48/91/84/467489184.db2.gz QTOBRFKXXZPJLD-AJYBTWMASA-N 1 3 327.472 2.440 10 0 EEAEHO O[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)CN1CCCC1 ZINC000519399460 468159349 /nfs/dbraw/zinc/15/93/49/468159349.db2.gz QBEWBXLWZCCSJD-WOJBJXKFSA-N 1 3 343.515 2.230 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000569575494 468512164 /nfs/dbraw/zinc/51/21/64/468512164.db2.gz BJODVTQKAWWVSA-NJAFHUGGSA-N 1 3 330.476 2.121 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)CO[C@H]1CCCc2ccccc21 ZINC000570625461 468666547 /nfs/dbraw/zinc/66/65/47/468666547.db2.gz FIKJWJYMTCBOTA-IBGZPJMESA-N 1 3 347.503 2.032 10 0 EEAEHO CC[NH+](CC)CCSCC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000592965721 468829324 /nfs/dbraw/zinc/82/93/24/468829324.db2.gz CTZBVBVVEXQOAN-KRWDZBQOSA-N 1 3 335.517 2.146 10 0 EEAEHO CC[C@@H](CNC(=O)N[C@@H]1CCCN(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000618555432 469387611 /nfs/dbraw/zinc/38/76/11/469387611.db2.gz XRLGZWMINHZYFO-MOPGFXCFSA-N 1 3 344.503 2.217 10 0 EEAEHO CC[C@@H](CNC(=O)N[C@@H]1CCCN(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000618555432 469387614 /nfs/dbraw/zinc/38/76/14/469387614.db2.gz XRLGZWMINHZYFO-MOPGFXCFSA-N 1 3 344.503 2.217 10 0 EEAEHO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617502150 469699660 /nfs/dbraw/zinc/69/96/60/469699660.db2.gz FFIQJGCCPSPLJK-YTQUADARSA-N 1 3 331.504 2.487 10 0 EEAEHO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617502150 469699668 /nfs/dbraw/zinc/69/96/68/469699668.db2.gz FFIQJGCCPSPLJK-YTQUADARSA-N 1 3 331.504 2.487 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)COc1ccc(Cl)cc1 ZINC000617503690 469702254 /nfs/dbraw/zinc/70/22/54/469702254.db2.gz UXIRSGAECMSDHM-AWEZNQCLSA-N 1 3 341.883 2.107 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)COc1ccc(Cl)cc1 ZINC000617503690 469702259 /nfs/dbraw/zinc/70/22/59/469702259.db2.gz UXIRSGAECMSDHM-AWEZNQCLSA-N 1 3 341.883 2.107 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(Cc2ccccc2)CC1 ZINC000617505369 469703834 /nfs/dbraw/zinc/70/38/34/469703834.db2.gz ACHWLOJDHRFAMZ-KRWDZBQOSA-N 1 3 331.504 2.398 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(Cc2ccccc2)CC1 ZINC000617505369 469703838 /nfs/dbraw/zinc/70/38/38/469703838.db2.gz ACHWLOJDHRFAMZ-KRWDZBQOSA-N 1 3 331.504 2.398 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1coc2ccccc12 ZINC000617507854 469707623 /nfs/dbraw/zinc/70/76/23/469707623.db2.gz LNADOURXNQQCDG-HNNXBMFYSA-N 1 3 331.460 2.364 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1coc2ccccc12 ZINC000617507854 469707625 /nfs/dbraw/zinc/70/76/25/469707625.db2.gz LNADOURXNQQCDG-HNNXBMFYSA-N 1 3 331.460 2.364 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c[nH]c(C(F)(F)F)c1 ZINC000617507915 469708100 /nfs/dbraw/zinc/70/81/00/469708100.db2.gz ONQWAYXMSXWWDG-NSHDSACASA-N 1 3 334.386 2.035 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c[nH]c(C(F)(F)F)c1 ZINC000617507915 469708104 /nfs/dbraw/zinc/70/81/04/469708104.db2.gz ONQWAYXMSXWWDG-NSHDSACASA-N 1 3 334.386 2.035 10 0 EEAEHO CCN(C(=O)C1CCN(c2cc[nH+]cc2C)CC1)[C@H]1CCN(C)C1 ZINC000617555211 469726828 /nfs/dbraw/zinc/72/68/28/469726828.db2.gz RGCAASSCAYONAW-KRWDZBQOSA-N 1 3 330.476 2.159 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000626979007 469775805 /nfs/dbraw/zinc/77/58/05/469775805.db2.gz NTPWBIBZFPQWPM-FGTMMUONSA-N 1 3 330.476 2.091 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C[NH2+]1 ZINC000627016873 469791206 /nfs/dbraw/zinc/79/12/06/469791206.db2.gz RAFUUNGUCPEYRW-ATZDWAIDSA-N 1 3 344.503 2.337 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000627017084 469791548 /nfs/dbraw/zinc/79/15/48/469791548.db2.gz ZOYNBEGNMDKEJK-KVSKMBFKSA-N 1 3 330.476 2.091 10 0 EEAEHO C[C@H](NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@H](c1ccccc1)N(C)C ZINC000627033891 469797323 /nfs/dbraw/zinc/79/73/23/469797323.db2.gz XLVIVXYHIOCMAH-MFHCWRBVSA-N 1 3 344.503 2.319 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000627159915 469828928 /nfs/dbraw/zinc/82/89/28/469828928.db2.gz BWQKWKFAZYHUNA-XHSDSOJGSA-N 1 3 338.883 2.382 10 0 EEAEHO CN1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000617911927 469836237 /nfs/dbraw/zinc/83/62/37/469836237.db2.gz SFNTUKJZERQXTG-SFHVURJKSA-N 1 3 330.476 2.044 10 0 EEAEHO C[C@H]1CC[C@@H](NC(=O)N(CCN(C)C)Cc2cccc(F)c2)C[NH2+]1 ZINC000627197253 469840772 /nfs/dbraw/zinc/84/07/72/469840772.db2.gz YHRXREGNBDEMEM-WMLDXEAASA-N 1 3 336.455 2.039 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@@H]1CC1(F)F ZINC000621550033 470066590 /nfs/dbraw/zinc/06/65/90/470066590.db2.gz BRJZGHZLQNVKNG-HUUCEWRRSA-N 1 3 346.466 2.089 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@@H]1CC1(F)F ZINC000621550033 470066593 /nfs/dbraw/zinc/06/65/93/470066593.db2.gz BRJZGHZLQNVKNG-HUUCEWRRSA-N 1 3 346.466 2.089 10 0 EEAEHO COCCN1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000631196827 470090712 /nfs/dbraw/zinc/09/07/12/470090712.db2.gz VOIPLQDOEVBHTH-SXLOBPIMSA-N 1 3 331.504 2.065 10 0 EEAEHO COCCN1CC[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000631196827 470090715 /nfs/dbraw/zinc/09/07/15/470090715.db2.gz VOIPLQDOEVBHTH-SXLOBPIMSA-N 1 3 331.504 2.065 10 0 EEAEHO COCCN1CC[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000631196827 470090716 /nfs/dbraw/zinc/09/07/16/470090716.db2.gz VOIPLQDOEVBHTH-SXLOBPIMSA-N 1 3 331.504 2.065 10 0 EEAEHO Cc1cc(NC(=O)N2CCCCC[C@H]([NH3+])C2)n(C2CCN(C)CC2)n1 ZINC000632920400 470287268 /nfs/dbraw/zinc/28/72/68/470287268.db2.gz ZDGXLTRPDTYEDS-HNNXBMFYSA-N 1 3 348.495 2.193 10 0 EEAEHO C[C@H]1C[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CN1Cc1ccccc1 ZINC000634770056 470304219 /nfs/dbraw/zinc/30/42/19/470304219.db2.gz YRYPEIFFXXFVFF-BOLBYERCSA-N 1 3 327.472 2.155 10 0 EEAEHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CNCCC1(F)F ZINC000649281416 470525726 /nfs/dbraw/zinc/52/57/26/470525726.db2.gz GTBNXJUYAGLYKR-MRXNPFEDSA-N 1 3 337.414 2.143 10 0 EEAEHO C[C@@H]1CN(CCCC[NH2+]Cc2ccnn2-c2ccccn2)C[C@H](C)O1 ZINC000647184939 470851622 /nfs/dbraw/zinc/85/16/22/470851622.db2.gz JCWOLBFJJKGWDK-CALCHBBNSA-N 1 3 343.475 2.246 10 0 EEAEHO CN(C)CCOc1cccc(NC(=O)N[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000647471813 470909943 /nfs/dbraw/zinc/90/99/43/470909943.db2.gz NOKNPFSRJIZLAD-KRWDZBQOSA-N 1 3 346.475 2.423 10 0 EEAEHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)C1 ZINC000650715342 470948668 /nfs/dbraw/zinc/94/86/68/470948668.db2.gz YSROKJRXYKLGFR-FUHWJXTLSA-N 1 3 347.478 2.420 10 0 EEAEHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2Cc2ccccc2F)C1 ZINC000650715342 470948673 /nfs/dbraw/zinc/94/86/73/470948673.db2.gz YSROKJRXYKLGFR-FUHWJXTLSA-N 1 3 347.478 2.420 10 0 EEAEHO COC[C@@]1(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CCCCN1 ZINC000638131289 470979161 /nfs/dbraw/zinc/97/91/61/470979161.db2.gz LFFGJTUPJMOXJI-FXAWDEMLSA-N 1 3 347.503 2.172 10 0 EEAEHO COC[C@@]1(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CCCCN1 ZINC000638131289 470979164 /nfs/dbraw/zinc/97/91/64/470979164.db2.gz LFFGJTUPJMOXJI-FXAWDEMLSA-N 1 3 347.503 2.172 10 0 EEAEHO Fc1cccn2cc(CNCC3CC[NH+](C4CCOCC4)CC3)nc12 ZINC000657535158 471162938 /nfs/dbraw/zinc/16/29/38/471162938.db2.gz GWMJVTPMVCQFEA-UHFFFAOYSA-N 1 3 346.450 2.454 10 0 EEAEHO COc1cc2c(c(CN[C@@H](C)CN(C)CCC[NH+](C)C)c1)O[C@H](C)C2 ZINC000657573308 471172468 /nfs/dbraw/zinc/17/24/68/471172468.db2.gz IPAXNWJHHUFWMK-JKSUJKDBSA-N 1 3 349.519 2.380 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)[C@@H]1c1ccccc1 ZINC000652174449 471250149 /nfs/dbraw/zinc/25/01/49/471250149.db2.gz UOLWCDSTRWKOKK-DMUMMCEESA-N 1 3 342.487 2.202 10 0 EEAEHO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658138784 471270482 /nfs/dbraw/zinc/27/04/82/471270482.db2.gz OBOPUGXHKZLSKV-PMACEKPBSA-N 1 3 342.487 2.264 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(Cl)cc1 ZINC000663402938 471359931 /nfs/dbraw/zinc/35/99/31/471359931.db2.gz OESOMTLSGFEARG-AWEZNQCLSA-N 1 3 340.899 2.411 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(Cl)cc1 ZINC000663402938 471359937 /nfs/dbraw/zinc/35/99/37/471359937.db2.gz OESOMTLSGFEARG-AWEZNQCLSA-N 1 3 340.899 2.411 10 0 EEAEHO CCN(C(=O)NC[C@H](CC(C)C)[NH+](CC)CC)[C@H]1CCN(C)C1 ZINC000663559588 471426936 /nfs/dbraw/zinc/42/69/36/471426936.db2.gz FPTXHGLWQNAJMY-IRXDYDNUSA-N 1 3 326.529 2.479 10 0 EEAEHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000659029382 471473440 /nfs/dbraw/zinc/47/34/40/471473440.db2.gz BPKHNBVACJVPQL-KSZLIROESA-N 1 3 344.459 2.096 10 0 EEAEHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000659029382 471473444 /nfs/dbraw/zinc/47/34/44/471473444.db2.gz BPKHNBVACJVPQL-KSZLIROESA-N 1 3 344.459 2.096 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1cc(N2CCCCC2)ncn1 ZINC000664195337 471671561 /nfs/dbraw/zinc/67/15/61/471671561.db2.gz BUVNRBUTSQEJHA-INIZCTEOSA-N 1 3 334.512 2.151 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1cc(N2CCCCC2)ncn1 ZINC000664195337 471671564 /nfs/dbraw/zinc/67/15/64/471671564.db2.gz BUVNRBUTSQEJHA-INIZCTEOSA-N 1 3 334.512 2.151 10 0 EEAEHO CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000661406203 471747102 /nfs/dbraw/zinc/74/71/02/471747102.db2.gz IXRQVMOTQLBMQE-IRXDYDNUSA-N 1 3 336.524 2.280 10 0 EEAEHO CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000661406203 471747109 /nfs/dbraw/zinc/74/71/09/471747109.db2.gz IXRQVMOTQLBMQE-IRXDYDNUSA-N 1 3 336.524 2.280 10 0 EEAEHO Cc1ccncc1[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664573982 471800030 /nfs/dbraw/zinc/80/00/30/471800030.db2.gz PYDHBUXIQUOMQI-JKSUJKDBSA-N 1 3 335.496 2.022 10 0 EEAEHO Cc1ccncc1[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664573982 471800035 /nfs/dbraw/zinc/80/00/35/471800035.db2.gz PYDHBUXIQUOMQI-JKSUJKDBSA-N 1 3 335.496 2.022 10 0 EEAEHO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(Cc2ccccc2)CC[C@H]1C ZINC000656698169 471810817 /nfs/dbraw/zinc/81/08/17/471810817.db2.gz JWOSCCFMFVVZLH-UYAOXDASSA-N 1 3 333.520 2.284 10 0 EEAEHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(Cc2ccccc2)CC[C@H]1C ZINC000656698169 471810822 /nfs/dbraw/zinc/81/08/22/471810822.db2.gz JWOSCCFMFVVZLH-UYAOXDASSA-N 1 3 333.520 2.284 10 0 EEAEHO O[C@@]1(C2CC2)CCC[N@@H+](C/C=C\CN2CCC[C@](O)(C3CC3)C2)C1 ZINC000661631415 471835421 /nfs/dbraw/zinc/83/54/21/471835421.db2.gz KPECFVWCEXYUHI-DZNLNZEASA-N 1 3 334.504 2.016 10 0 EEAEHO O[C@@]1(C2CC2)CCC[N@H+](C/C=C\CN2CCC[C@](O)(C3CC3)C2)C1 ZINC000661631415 471835424 /nfs/dbraw/zinc/83/54/24/471835424.db2.gz KPECFVWCEXYUHI-DZNLNZEASA-N 1 3 334.504 2.016 10 0 EEAEHO O[C@@]1(C2CC2)CCCN(C/C=C\C[N@@H+]2CCC[C@](O)(C3CC3)C2)C1 ZINC000661631415 471835427 /nfs/dbraw/zinc/83/54/27/471835427.db2.gz KPECFVWCEXYUHI-DZNLNZEASA-N 1 3 334.504 2.016 10 0 EEAEHO O[C@@]1(C2CC2)CCCN(C/C=C\C[N@H+]2CCC[C@](O)(C3CC3)C2)C1 ZINC000661631415 471835431 /nfs/dbraw/zinc/83/54/31/471835431.db2.gz KPECFVWCEXYUHI-DZNLNZEASA-N 1 3 334.504 2.016 10 0 EEAEHO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C[C@@H]1CNCCO1 ZINC000662307549 472065081 /nfs/dbraw/zinc/06/50/81/472065081.db2.gz XDNMVGDYQUEAQH-SFHVURJKSA-N 1 3 339.911 2.472 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2c1cccc2F ZINC000665760676 472174748 /nfs/dbraw/zinc/17/47/48/472174748.db2.gz MSSUSTBJPDGECC-AWEZNQCLSA-N 1 3 336.455 2.170 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2c1cccc2F ZINC000665760676 472174754 /nfs/dbraw/zinc/17/47/54/472174754.db2.gz MSSUSTBJPDGECC-AWEZNQCLSA-N 1 3 336.455 2.170 10 0 EEAEHO Cc1ccc2c(c1)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC2 ZINC000665763781 472177137 /nfs/dbraw/zinc/17/71/37/472177137.db2.gz LMHLXKSUFJLONL-KRWDZBQOSA-N 1 3 346.519 2.335 10 0 EEAEHO Cc1ccc2c(c1)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC2 ZINC000665763781 472177140 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C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1c2ccccc2C[C@H]1C ZINC000665637055 485612389 /nfs/dbraw/zinc/61/23/89/485612389.db2.gz RZIKIXOCHQLZEF-JKSUJKDBSA-N 1 3 332.492 2.419 10 0 EEAEHO CO[C@@H]1CCC[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000684373875 485863268 /nfs/dbraw/zinc/86/32/68/485863268.db2.gz DDFAOXXVQLIAGS-PKOBYXMFSA-N 1 3 332.492 2.141 10 0 EEAEHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000678363362 486623491 /nfs/dbraw/zinc/62/34/91/486623491.db2.gz XRNPXPPDBQXWBL-MJGOQNOKSA-N 1 3 334.460 2.055 10 0 EEAEHO CCN(C(=O)[C@]1(F)CC[NH2+]C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000165947520 682454039 /nfs/dbraw/zinc/45/40/39/682454039.db2.gz LSNKBLOJLABGMA-WDYCEAGBSA-N 1 3 333.451 2.372 10 0 EEAEHO CC(C)[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1cnccn1 ZINC001485784992 1191951435 /nfs/dbraw/zinc/95/14/35/1191951435.db2.gz KEWREMOJKDATOI-HZPDHXFCSA-N 1 3 347.507 2.142 10 0 EEAEHO c1cc2c(cc1-c1nc([C@H]3CN4CCC3CC4)no1)OCC[NH2+]C2 ZINC001772523619 1176743008 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327.476 2.159 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCOc2ccccc2C)C1)N(C)C ZINC001490852116 1209760175 /nfs/dbraw/zinc/76/01/75/1209760175.db2.gz LIZTUYFCXYDUPZ-ROUUACIJSA-N 1 3 347.503 2.295 10 0 EEAEHO Cc1ccc([C@@H](O)CN2CCC(O)(C[NH+]3CCCCC3)CC2)cc1 ZINC001413073686 1231806893 /nfs/dbraw/zinc/80/68/93/1231806893.db2.gz CUZZOZSQJLOBCA-IBGZPJMESA-N 1 3 332.488 2.341 10 0 EEAEHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1nc3ccccc3s1)C2 ZINC000903492605 1240656355 /nfs/dbraw/zinc/65/63/55/1240656355.db2.gz HEGAKDGDVKCESA-JKDFXYPNSA-N 1 3 331.441 2.009 10 0 EEAEHO COc1ccc([C@H](NC(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)C(C)C)cc1 ZINC000903495896 1240668647 /nfs/dbraw/zinc/66/86/47/1240668647.db2.gz BIJVKBKAUSFEMT-WRWLIDTKSA-N 1 3 347.503 2.425 10 0 EEAEHO COCCN1CC[C@@H]([NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000383079915 1241368605 /nfs/dbraw/zinc/36/86/05/1241368605.db2.gz SVVQHIZQNVLLKZ-WOJBJXKFSA-N 1 3 331.504 2.209 10 0 EEAEHO Cc1c(C[C@H](CN)C[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)cnn1C ZINC000903925139 1242519920 /nfs/dbraw/zinc/51/99/20/1242519920.db2.gz KSQHOKGSPNAMAU-NUJGCVRESA-N 1 3 336.524 2.277 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(Cl)n1 ZINC000852907156 1292231695 /nfs/dbraw/zinc/23/16/95/1292231695.db2.gz FFWBJHDKYYTZTR-JALIKCBVSA-N 1 3 336.867 2.175 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(Cl)n1 ZINC000852907156 1292231703 /nfs/dbraw/zinc/23/17/03/1292231703.db2.gz FFWBJHDKYYTZTR-JALIKCBVSA-N 1 3 336.867 2.175 10 0 EEAEHO O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]CC23CC(C2)CN3)CC1 ZINC000854228397 1292679062 /nfs/dbraw/zinc/67/90/62/1292679062.db2.gz VKALEBUMJPBEIT-WUJZJPHMSA-N 1 3 329.444 2.382 10 0 EEAEHO COc1ccc(/C=C\C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000855346313 1293183515 /nfs/dbraw/zinc/18/35/15/1293183515.db2.gz WBUFDSOOKZAERR-CKDIWJPDSA-N 1 3 333.476 2.097 10 0 EEAEHO COc1ccc(/C=C\C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000855346313 1293183519 /nfs/dbraw/zinc/18/35/19/1293183519.db2.gz WBUFDSOOKZAERR-CKDIWJPDSA-N 1 3 333.476 2.097 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001276995563 1300729416 /nfs/dbraw/zinc/72/94/16/1300729416.db2.gz LKPIVJFHEXWWJG-FHWLQOOXSA-N 1 3 331.504 2.300 10 0 EEAEHO COCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001277316049 1302331126 /nfs/dbraw/zinc/33/11/26/1302331126.db2.gz HAQAWZZJSCWZSX-HQSKLWIPSA-N 1 3 339.524 2.111 10 0 EEAEHO CC[NH2+]CC1CCN(C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000841848447 1315622193 /nfs/dbraw/zinc/62/21/93/1315622193.db2.gz MUCOEBIVAORKSG-OAHLLOKOSA-N 1 3 338.883 2.281 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NCc2ccc(C[NH3+])cc2)cc(Cl)n1 ZINC000843512025 1315927054 /nfs/dbraw/zinc/92/70/54/1315927054.db2.gz FBKZCJUCYJLKCQ-HNNXBMFYSA-N 1 3 332.835 2.208 10 0 EEAEHO CCCNCc1nc2c(s1)CCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001264191769 1322658537 /nfs/dbraw/zinc/65/85/37/1322658537.db2.gz XWPDEMAPGQXGGP-UHFFFAOYSA-N 1 3 338.521 2.259 10 0 EEAEHO CCCNCc1nc2c(s1)CCN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001264191769 1322658542 /nfs/dbraw/zinc/65/85/42/1322658542.db2.gz XWPDEMAPGQXGGP-UHFFFAOYSA-N 1 3 338.521 2.259 10 0 EEAEHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1ccc(C)nc1C ZINC001265104539 1322921631 /nfs/dbraw/zinc/92/16/31/1322921631.db2.gz WMNZNLKDZZNVIZ-SFHVURJKSA-N 1 3 332.492 2.121 10 0 EEAEHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1ccc(C)nc1C ZINC001265104539 1322921633 /nfs/dbraw/zinc/92/16/33/1322921633.db2.gz WMNZNLKDZZNVIZ-SFHVURJKSA-N 1 3 332.492 2.121 10 0 EEAEHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCc1ccccc1F ZINC001279163375 1323843233 /nfs/dbraw/zinc/84/32/33/1323843233.db2.gz ZIQNAJWCJXUXBT-GOEBONIOSA-N 1 3 344.434 2.018 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCc2ccc(Cl)nc2)C1 ZINC001281459418 1325124904 /nfs/dbraw/zinc/12/49/04/1325124904.db2.gz TYXMFONSHAJHHP-DZGCQCFKSA-N 1 3 338.883 2.013 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCc2ccc(Cl)nc2)C1 ZINC001281459418 1325124927 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EEAEHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CCCc2cccc(F)c2)C1 ZINC001284818368 1326727762 /nfs/dbraw/zinc/72/77/62/1326727762.db2.gz JIIUHPJZOIVJDH-UHFFFAOYSA-N 1 3 347.478 2.433 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NCC2=CCN(Cc3ccccc3)CC2)C1 ZINC001284976407 1326805373 /nfs/dbraw/zinc/80/53/73/1326805373.db2.gz HGTNULYXYYJASM-IBGZPJMESA-N 1 3 327.472 2.277 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NCC2=CCN(Cc3ccccc3)CC2)C1 ZINC001284976407 1326805377 /nfs/dbraw/zinc/80/53/77/1326805377.db2.gz HGTNULYXYYJASM-IBGZPJMESA-N 1 3 327.472 2.277 10 0 EEAEHO CCc1ccc(CC[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC001491791521 1330257057 /nfs/dbraw/zinc/25/70/57/1330257057.db2.gz OCENOAXVPSZQOW-PMACEKPBSA-N 1 3 343.515 2.324 10 0 EEAEHO Cc1noc(C)c1C[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001491897298 1330294662 /nfs/dbraw/zinc/29/46/62/1330294662.db2.gz VEZIIZQSDACAFJ-JKSUJKDBSA-N 1 3 336.480 2.149 10 0 EEAEHO Cc1ncc(CNCC[C@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)o1 ZINC001316688816 1331339829 /nfs/dbraw/zinc/33/98/29/1331339829.db2.gz RHQYPJBRCMSALK-PBHICJAKSA-N 1 3 336.480 2.042 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCCCC[C@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC001316772248 1331885167 /nfs/dbraw/zinc/88/51/67/1331885167.db2.gz JHZRMSABUGDQMF-IRXDYDNUSA-N 1 3 348.491 2.130 10 0 EEAEHO C[N@@H+]1C[C@H](C(=O)N2CCCC[C@@H]2CNCCF)[C@@H](c2ccccc2)C1 ZINC001317193632 1332124465 /nfs/dbraw/zinc/12/44/65/1332124465.db2.gz HRUUTEGNXIIIFJ-QRVBRYPASA-N 1 3 347.478 2.272 10 0 EEAEHO C[N@H+]1C[C@H](C(=O)N2CCCC[C@@H]2CNCCF)[C@@H](c2ccccc2)C1 ZINC001317193632 1332124466 /nfs/dbraw/zinc/12/44/66/1332124466.db2.gz HRUUTEGNXIIIFJ-QRVBRYPASA-N 1 3 347.478 2.272 10 0 EEAEHO Cc1oncc1CN(CCCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001317700933 1332379457 /nfs/dbraw/zinc/37/94/57/1332379457.db2.gz ZIAWZVBCCWYGDS-UHFFFAOYSA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1ccc(OCC[NH2+]C[C@@H](C)N(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001319533659 1332716938 /nfs/dbraw/zinc/71/69/38/1332716938.db2.gz JDHWWFLYTUNMAR-ZWKOTPCHSA-N 1 3 347.503 2.152 10 0 EEAEHO CC(C)COCCN(C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001320060454 1332817532 /nfs/dbraw/zinc/81/75/32/1332817532.db2.gz YEJMWOZAQLEGOZ-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)COCCN(C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001320060454 1332817534 /nfs/dbraw/zinc/81/75/34/1332817534.db2.gz YEJMWOZAQLEGOZ-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)CN1CC[C@H](C)C1 ZINC001320549284 1332907679 /nfs/dbraw/zinc/90/76/79/1332907679.db2.gz QHCWDFNOZZPSPR-KBPBESRZSA-N 1 3 338.883 2.061 10 0 EEAEHO CCN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)[C@H]1CCCN1C ZINC001320816875 1332958886 /nfs/dbraw/zinc/95/88/86/1332958886.db2.gz CUTCWGAOPXVTTO-QGZVFWFLSA-N 1 3 329.444 2.465 10 0 EEAEHO C[NH+](C)CC1(C(=O)NC/C=C/CN[C@@H]2CCc3c2cccc3F)CC1 ZINC001321208623 1333044910 /nfs/dbraw/zinc/04/49/10/1333044910.db2.gz BAPOACBWXBVOEA-OAJJDEHYSA-N 1 3 345.462 2.417 10 0 EEAEHO Cc1cncc(CNC/C=C\CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)c1 ZINC001321284679 1333064176 /nfs/dbraw/zinc/06/41/76/1333064176.db2.gz HBNHWHFCEWUKPJ-YJZIAQIGSA-N 1 3 342.487 2.169 10 0 EEAEHO Cc1cncc(CNC/C=C\CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)c1 ZINC001321284679 1333064179 /nfs/dbraw/zinc/06/41/79/1333064179.db2.gz HBNHWHFCEWUKPJ-YJZIAQIGSA-N 1 3 342.487 2.169 10 0 EEAEHO CC[C@@H](C(=O)NCC1([NH2+]CC[C@@H]2CC2(Cl)Cl)CC1)N(C)C ZINC001323540942 1333485147 /nfs/dbraw/zinc/48/51/47/1333485147.db2.gz GWIFZSFIJVJCQS-NEPJUHHUSA-N 1 3 336.307 2.149 10 0 EEAEHO CCOCCN1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001324646493 1333730314 /nfs/dbraw/zinc/73/03/14/1333730314.db2.gz HRUUSAIJGKOBGF-FQEVSTJZSA-N 1 3 347.503 2.021 10 0 EEAEHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(F)cn2)C1 ZINC001326302047 1334063552 /nfs/dbraw/zinc/06/35/52/1334063552.db2.gz FPRVESCMSORVMP-CRAIPNDOSA-N 1 3 348.466 2.033 10 0 EEAEHO CC[C@@H](C(=O)N1CCC(C)([NH2+]CCC[C@@H]2CCOC2)CC1)N(C)C ZINC001328017195 1334379326 /nfs/dbraw/zinc/37/93/26/1334379326.db2.gz JLKUANWPCZUDGM-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO CN(CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCC(F)(F)F)C1)C1CCC1 ZINC001332274197 1335788221 /nfs/dbraw/zinc/78/82/21/1335788221.db2.gz ZXNKJNWVOFWCOR-CHWSQXEVSA-N 1 3 335.414 2.298 10 0 EEAEHO COc1cccc(CN2CC=C(CNC(=O)CC[NH+](C)C)CC2)c1C ZINC001333391081 1336029811 /nfs/dbraw/zinc/02/98/11/1336029811.db2.gz NJJRSZSYYAFRNV-UHFFFAOYSA-N 1 3 345.487 2.204 10 0 EEAEHO COc1ccc([C@H](NC(C)C)C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC001413869207 1338572224 /nfs/dbraw/zinc/57/22/24/1338572224.db2.gz MDJADOKSFPCZQD-AITUJVMLSA-N 1 3 345.487 2.191 10 0 EEAEHO COc1ccc([C@H](NC(C)C)C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC001413869207 1338572225 /nfs/dbraw/zinc/57/22/25/1338572225.db2.gz MDJADOKSFPCZQD-AITUJVMLSA-N 1 3 345.487 2.191 10 0 EEAEHO C[C@@H]1CCCC[C@@H]1OCC[NH2+]CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001567507534 1342774965 /nfs/dbraw/zinc/77/49/65/1342774965.db2.gz FCDYTVYGZZGRKT-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCCO)c1ccccc1 ZINC001567663056 1342808316 /nfs/dbraw/zinc/80/83/16/1342808316.db2.gz FUOGXLJYQIMNEB-OALUTQOASA-N 1 3 347.503 2.079 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2scnc2C)C1 ZINC001570015735 1343000057 /nfs/dbraw/zinc/00/00/57/1343000057.db2.gz OUYGNZXKXZBYOW-OAHLLOKOSA-N 1 3 338.521 2.122 10 0 EEAEHO Cc1cccc(OCC[NH2+][C@@H](C)CN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001676423656 1357148849 /nfs/dbraw/zinc/14/88/49/1357148849.db2.gz IUWOOUTTXLCVIY-ROUUACIJSA-N 1 3 347.503 2.152 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccnc(Cl)c2)[C@H]1C ZINC001676686561 1357180907 /nfs/dbraw/zinc/18/09/07/1357180907.db2.gz OIVHVGDNGOLWLF-UKRRQHHQSA-N 1 3 338.883 2.156 10 0 EEAEHO CC[C@@H](C(=O)N[C@H](C[NH2+]CCC(F)(F)F)C(C)(C)C)N(C)C ZINC001677296610 1357309388 /nfs/dbraw/zinc/30/93/88/1357309388.db2.gz AZFYOJHVOBODEP-NWDGAFQWSA-N 1 3 325.419 2.400 10 0 EEAEHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]CCOc1ccccc1 ZINC001662349908 1354784329 /nfs/dbraw/zinc/78/43/29/1354784329.db2.gz GGULJNHLTUOJFE-MSOLQXFVSA-N 1 3 347.503 2.424 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2F)C1 ZINC001662719036 1354831366 /nfs/dbraw/zinc/83/13/66/1354831366.db2.gz ZXJUDRKKKLQJIM-INIZCTEOSA-N 1 3 335.467 2.148 10 0 EEAEHO CC(C)OCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001663587875 1354994281 /nfs/dbraw/zinc/99/42/81/1354994281.db2.gz UTJJMFPSFVLDAE-ROUUACIJSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)OCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001663587875 1354994283 /nfs/dbraw/zinc/99/42/83/1354994283.db2.gz UTJJMFPSFVLDAE-ROUUACIJSA-N 1 3 339.524 2.112 10 0 EEAEHO CC1(C)CO[C@H](C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001667290577 1355699741 /nfs/dbraw/zinc/69/97/41/1355699741.db2.gz LZFQSQGRWYYEGL-SJORKVTESA-N 1 3 348.491 2.128 10 0 EEAEHO Cc1nc(C)c(CNCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)o1 ZINC001668059345 1355858529 /nfs/dbraw/zinc/85/85/29/1355858529.db2.gz FDJXLFYAMORMQE-CZUORRHYSA-N 1 3 336.480 2.149 10 0 EEAEHO Cc1nc(C)c(CNCC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)o1 ZINC001668059345 1355858535 /nfs/dbraw/zinc/85/85/35/1355858535.db2.gz FDJXLFYAMORMQE-CZUORRHYSA-N 1 3 336.480 2.149 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1nc(C)c(C)s1)N(C)C ZINC001668105887 1355872220 /nfs/dbraw/zinc/87/22/20/1355872220.db2.gz JJVKIKZIGCWATJ-SMDDNHRTSA-N 1 3 326.510 2.085 10 0 EEAEHO Cc1ncc(CNCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)o1 ZINC001668325913 1355924258 /nfs/dbraw/zinc/92/42/58/1355924258.db2.gz MYBNNUFMUURZEO-WMLDXEAASA-N 1 3 336.480 2.088 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1scnc1C ZINC001668854139 1356024228 /nfs/dbraw/zinc/02/42/28/1356024228.db2.gz PDKBYLLRZOJRRY-FOSCPCJNSA-N 1 3 336.505 2.088 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1scnc1C ZINC001668854139 1356024232 /nfs/dbraw/zinc/02/42/32/1356024232.db2.gz PDKBYLLRZOJRRY-FOSCPCJNSA-N 1 3 336.505 2.088 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001668883254 1356034017 /nfs/dbraw/zinc/03/40/17/1356034017.db2.gz NUISFNOSMYHBJC-YQHFQFMOSA-N 1 3 342.487 2.169 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001668883254 1356034022 /nfs/dbraw/zinc/03/40/22/1356034022.db2.gz NUISFNOSMYHBJC-YQHFQFMOSA-N 1 3 342.487 2.169 10 0 EEAEHO COc1ccc(CNC/C=C\CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001669074943 1356084316 /nfs/dbraw/zinc/08/43/16/1356084316.db2.gz HFARBGKOUKLJBS-ARJAWSKDSA-N 1 3 345.487 2.189 10 0 EEAEHO C[C@H](C[N@@H+](C)CCCCC(F)(F)F)NC(=O)CN1CC[C@@H](C)C1 ZINC001669882921 1356231546 /nfs/dbraw/zinc/23/15/46/1356231546.db2.gz SJBQVLKGWXCZNO-ZIAGYGMSSA-N 1 3 337.430 2.497 10 0 EEAEHO C[C@H](C[N@H+](C)CCCCC(F)(F)F)NC(=O)CN1CC[C@@H](C)C1 ZINC001669882921 1356231541 /nfs/dbraw/zinc/23/15/41/1356231541.db2.gz SJBQVLKGWXCZNO-ZIAGYGMSSA-N 1 3 337.430 2.497 10 0 EEAEHO COc1cc(C[NH2+]CCCN(C)C(=O)CN2CC[C@@H](C)C2)ccc1C ZINC001670246144 1356304004 /nfs/dbraw/zinc/30/40/04/1356304004.db2.gz PQAXRJNYAUHDPC-MRXNPFEDSA-N 1 3 347.503 2.284 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNCc2conc2C)C1 ZINC001672805577 1356588194 /nfs/dbraw/zinc/58/81/94/1356588194.db2.gz NTALERXPQZVITP-WMZOPIPTSA-N 1 3 348.491 2.186 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNCc2conc2C)C1 ZINC001672805577 1356588197 /nfs/dbraw/zinc/58/81/97/1356588197.db2.gz NTALERXPQZVITP-WMZOPIPTSA-N 1 3 348.491 2.186 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cccnc2C)C1)N(C)C ZINC001672816087 1356590973 /nfs/dbraw/zinc/59/09/73/1356590973.db2.gz MYCDNBPZYGIEKA-FUHWJXTLSA-N 1 3 332.492 2.058 10 0 EEAEHO CC(C)OCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001672965610 1356623352 /nfs/dbraw/zinc/62/33/52/1356623352.db2.gz GYJKLKOMPQOSSV-QAQDUYKDSA-N 1 3 339.524 2.160 10 0 EEAEHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CCO1 ZINC001673316886 1356665276 /nfs/dbraw/zinc/66/52/76/1356665276.db2.gz IKPZEXFKTHDLFR-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)[C@H](C(=O)N1CCC(C)([NH2+]CCOC2CCC2)CC1)N(C)C ZINC001673982310 1356767249 /nfs/dbraw/zinc/76/72/49/1356767249.db2.gz SYZWUGKLMPGDKB-QGZVFWFLSA-N 1 3 339.524 2.112 10 0 EEAEHO CN(CCC[NH2+]CCc1ccc(F)c(F)c1)C(=O)CN1CCCC1 ZINC001699550885 1405387045 /nfs/dbraw/zinc/38/70/45/1405387045.db2.gz NHHXCTMGUAGXCT-UHFFFAOYSA-N 1 3 339.430 2.041 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc(Cl)n1 ZINC000846694581 790417583 /nfs/dbraw/zinc/41/75/83/790417583.db2.gz QUIWZCUHKUKJHF-DFBGVHRSSA-N 1 3 338.883 2.409 10 0 EEAEHO OC1CCN(Cc2ccccc2C[NH2+]CC2(O)CCCCC2)CC1 ZINC000819121486 785432885 /nfs/dbraw/zinc/43/28/85/785432885.db2.gz LRSOTZGBAQCGJK-UHFFFAOYSA-N 1 3 332.488 2.428 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc2c(cn1)CCCC2 ZINC000823501795 787784945 /nfs/dbraw/zinc/78/49/45/787784945.db2.gz DFRVHBITBXJEJL-HNNXBMFYSA-N 1 3 347.507 2.354 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc2c(cn1)CCCC2 ZINC000823501795 787784949 /nfs/dbraw/zinc/78/49/49/787784949.db2.gz DFRVHBITBXJEJL-HNNXBMFYSA-N 1 3 347.507 2.354 10 0 EEAEHO Cc1cc(C)c(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000912305245 788102647 /nfs/dbraw/zinc/10/26/47/788102647.db2.gz WLJMUVFQTSTSOE-AWEZNQCLSA-N 1 3 325.522 2.296 10 0 EEAEHO Cc1cc(C)c(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000912305245 788102651 /nfs/dbraw/zinc/10/26/51/788102651.db2.gz WLJMUVFQTSTSOE-AWEZNQCLSA-N 1 3 325.522 2.296 10 0 EEAEHO O[C@@]1(c2ccc(F)cc2)CCN(Cc2ccnn2-c2ccncc2)C1 ZINC000825412653 788620768 /nfs/dbraw/zinc/62/07/68/788620768.db2.gz LABGDVVPXUXDCC-IBGZPJMESA-N 1 3 338.386 2.500 10 0 EEAEHO O[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000825412653 788620775 /nfs/dbraw/zinc/62/07/75/788620775.db2.gz LABGDVVPXUXDCC-IBGZPJMESA-N 1 3 338.386 2.500 10 0 EEAEHO O[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000825412653 788620779 /nfs/dbraw/zinc/62/07/79/788620779.db2.gz LABGDVVPXUXDCC-IBGZPJMESA-N 1 3 338.386 2.500 10 0 EEAEHO CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000923314188 789353035 /nfs/dbraw/zinc/35/30/35/789353035.db2.gz SFIHAOZNCYJWCE-LDBYLJPUSA-N 1 3 328.522 2.195 10 0 EEAEHO CN1CCC[C@H](NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000063150564 791805578 /nfs/dbraw/zinc/80/55/78/791805578.db2.gz WJAZGWUQRXUHGT-SFHVURJKSA-N 1 3 346.544 2.209 10 0 EEAEHO Cn1nc2c(c1C[NH2+]CC1CCN(Cc3ccncc3)CC1)CCC2 ZINC000922244008 800027832 /nfs/dbraw/zinc/02/78/32/800027832.db2.gz QAQHKSIIZPADIH-UHFFFAOYSA-N 1 3 339.487 2.306 10 0 EEAEHO COCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001566075592 1125548767 /nfs/dbraw/zinc/54/87/67/1125548767.db2.gz TXHDPALRZLCHLN-MSOLQXFVSA-N 1 3 339.524 2.257 10 0 EEAEHO COc1ccc(CN2CCC(N(C)C(=O)CC[NH+](C)C)CC2)cc1C ZINC001436676146 1088123121 /nfs/dbraw/zinc/12/31/21/1088123121.db2.gz XSGVTEVHOLBHAB-UHFFFAOYSA-N 1 3 347.503 2.378 10 0 EEAEHO CCc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001436950760 1088637413 /nfs/dbraw/zinc/63/74/13/1088637413.db2.gz GDFPXFGEKYEQQT-HDICACEKSA-N 1 3 329.488 2.470 10 0 EEAEHO CCO[C@@H](C[NH2+]C1CCC(NC(=O)Cc2nc[nH]c2C)CC1)C1CC1 ZINC001437086198 1089030014 /nfs/dbraw/zinc/03/00/14/1089030014.db2.gz AINZUCPWHQCYDJ-HTWSVDAQSA-N 1 3 348.491 2.093 10 0 EEAEHO Cc1csc(CN[C@@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)n1 ZINC001437399732 1089661725 /nfs/dbraw/zinc/66/17/25/1089661725.db2.gz RLIPOXOGLANJCS-ZDUSSCGKSA-N 1 3 338.521 2.310 10 0 EEAEHO Cc1ncc(CN2CCC(CCNC(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC001438455947 1090965135 /nfs/dbraw/zinc/96/51/35/1090965135.db2.gz LXEIMDOCQPBTTL-UHFFFAOYSA-N 1 3 348.491 2.043 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)CNCc2ccn(C(C)C)n2)CC[N@@H+]1C ZINC001438487169 1090988682 /nfs/dbraw/zinc/98/86/82/1090988682.db2.gz HCZXQKUYFBNGDS-BPQIPLTHSA-N 1 3 349.523 2.036 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)CNCc2ccn(C(C)C)n2)CC[N@H+]1C ZINC001438487169 1090988688 /nfs/dbraw/zinc/98/86/88/1090988688.db2.gz HCZXQKUYFBNGDS-BPQIPLTHSA-N 1 3 349.523 2.036 10 0 EEAEHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1c(F)cccc1F ZINC001438497727 1090994368 /nfs/dbraw/zinc/99/43/68/1090994368.db2.gz LDHVPNBBSGVRDC-ZDUSSCGKSA-N 1 3 339.430 2.291 10 0 EEAEHO COc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CC[C@H](C)C2)ccc1C ZINC001438686161 1091186062 /nfs/dbraw/zinc/18/60/62/1091186062.db2.gz RFAKPBRHCVGNGI-DOTOQJQBSA-N 1 3 347.503 2.282 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC001445544192 1091312763 /nfs/dbraw/zinc/31/27/63/1091312763.db2.gz CCFDWGYXKDCWKV-RVSPLBMKSA-N 1 3 339.430 2.289 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2ccc(F)c(F)c2)CC[N@H+]1C ZINC001445544192 1091312773 /nfs/dbraw/zinc/31/27/73/1091312773.db2.gz CCFDWGYXKDCWKV-RVSPLBMKSA-N 1 3 339.430 2.289 10 0 EEAEHO CN(CCF)CCC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001438765262 1091340450 /nfs/dbraw/zinc/34/04/50/1091340450.db2.gz MUWWNJFNWGMLBS-UHFFFAOYSA-N 1 3 339.499 2.392 10 0 EEAEHO Cc1cc(F)ccc1CN(C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445762268 1091611539 /nfs/dbraw/zinc/61/15/39/1091611539.db2.gz XIVHBZLOVWUPIR-HNAYVOBHSA-N 1 3 347.478 2.412 10 0 EEAEHO C[C@H](CN(C)C/C=C/c1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001439323642 1092000897 /nfs/dbraw/zinc/00/08/97/1092000897.db2.gz FWNXQTNWFWGJBA-DRKNEXIASA-N 1 3 329.488 2.477 10 0 EEAEHO C[C@H](CN(C)C/C=C/c1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001439323642 1092000906 /nfs/dbraw/zinc/00/09/06/1092000906.db2.gz FWNXQTNWFWGJBA-DRKNEXIASA-N 1 3 329.488 2.477 10 0 EEAEHO CC[C@H](F)CN1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001439831988 1092824270 /nfs/dbraw/zinc/82/42/70/1092824270.db2.gz RUQGYZWEOJJNPA-FUHWJXTLSA-N 1 3 327.488 2.391 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@@](C)(C[NH2+]Cc3ccccc3F)C2)C1 ZINC001439885519 1092937837 /nfs/dbraw/zinc/93/78/37/1092937837.db2.gz MLKLVYKTSDFOAC-JXFKEZNVSA-N 1 3 347.478 2.496 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1(C)CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001439916490 1092992670 /nfs/dbraw/zinc/99/26/70/1092992670.db2.gz LHXJBPSSXHQRKL-SJORKVTESA-N 1 3 339.524 2.112 10 0 EEAEHO COC[C@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001439935511 1093026675 /nfs/dbraw/zinc/02/66/75/1093026675.db2.gz DOKOFZYVVPLBQP-QFBILLFUSA-N 1 3 339.524 2.114 10 0 EEAEHO COC[C@H](C)[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001439935511 1093026678 /nfs/dbraw/zinc/02/66/78/1093026678.db2.gz DOKOFZYVVPLBQP-QFBILLFUSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H](F)CN1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]2C1 ZINC001440150471 1093210602 /nfs/dbraw/zinc/21/06/02/1093210602.db2.gz OPDZEBPPLPDJTP-YYIAUSFCSA-N 1 3 327.488 2.245 10 0 EEAEHO CN(C[C@@H]1CCN1CCc1ccccc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001440267402 1093379091 /nfs/dbraw/zinc/37/90/91/1093379091.db2.gz TYMHHXTUNPSNJN-OALUTQOASA-N 1 3 329.488 2.104 10 0 EEAEHO CN(C[C@@H]1CCN1CCc1ccccc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001440267402 1093379102 /nfs/dbraw/zinc/37/91/02/1093379102.db2.gz TYMHHXTUNPSNJN-OALUTQOASA-N 1 3 329.488 2.104 10 0 EEAEHO Cc1nn(C(C)C)cc1C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001440362922 1093526422 /nfs/dbraw/zinc/52/64/22/1093526422.db2.gz PLHXAGWDMFXUAY-SAABIXHNSA-N 1 3 349.523 2.097 10 0 EEAEHO Cc1nn(C(C)C)cc1CN1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001440390495 1093566532 /nfs/dbraw/zinc/56/65/32/1093566532.db2.gz FXKSJKCUMCESHM-SFHVURJKSA-N 1 3 349.523 2.195 10 0 EEAEHO CCCN(C)CC(=O)N1CCC(C)([NH2+]Cc2ccn(C(C)C)n2)CC1 ZINC001440605544 1093870217 /nfs/dbraw/zinc/87/02/17/1093870217.db2.gz NRMOYFKNUZRNHE-UHFFFAOYSA-N 1 3 349.523 2.277 10 0 EEAEHO CN(CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1)CC(C)(C)C ZINC001449074757 1094088225 /nfs/dbraw/zinc/08/82/25/1094088225.db2.gz CUADEHAGYZKLBB-QGZVFWFLSA-N 1 3 346.519 2.386 10 0 EEAEHO Cc1ccc(F)cc1CN(C)[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001440997039 1094266840 /nfs/dbraw/zinc/26/68/40/1094266840.db2.gz HBXYXMOCQAXGPW-JKSUJKDBSA-N 1 3 335.467 2.412 10 0 EEAEHO Cc1ccc(F)cc1CN(C)[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001440997039 1094266845 /nfs/dbraw/zinc/26/68/45/1094266845.db2.gz HBXYXMOCQAXGPW-JKSUJKDBSA-N 1 3 335.467 2.412 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](CCOC)c2ccccc2)C1)N(C)C ZINC001441341271 1094838921 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CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1cccc(C(C)C)n1 ZINC001444038253 1098557774 /nfs/dbraw/zinc/55/77/74/1098557774.db2.gz OUJMBZMHRRCQKJ-INIZCTEOSA-N 1 3 344.503 2.285 10 0 EEAEHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1cc(F)cc(F)c1 ZINC001444039732 1098560688 /nfs/dbraw/zinc/56/06/88/1098560688.db2.gz PZEQXTMWQGUQTI-GUYCJALGSA-N 1 3 339.430 2.291 10 0 EEAEHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1cc(F)cc(F)c1 ZINC001444039732 1098560692 /nfs/dbraw/zinc/56/06/92/1098560692.db2.gz PZEQXTMWQGUQTI-GUYCJALGSA-N 1 3 339.430 2.291 10 0 EEAEHO Cc1ncccc1C[NH2+]C[C@H](CC(C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001444765492 1099660122 /nfs/dbraw/zinc/66/01/22/1099660122.db2.gz YKSFGGSKSBQBNP-LPHOPBHVSA-N 1 3 346.519 2.352 10 0 EEAEHO Cc1cncc(CN2CCC[C@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001480266897 1099959730 /nfs/dbraw/zinc/95/97/30/1099959730.db2.gz AUAYYFLOXKSWKE-ZWKOTPCHSA-N 1 3 344.503 2.060 10 0 EEAEHO Cc1cncc(CN2CCC[C@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001480266897 1099959739 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CN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001497546128 1102647675 /nfs/dbraw/zinc/64/76/75/1102647675.db2.gz CBQACGFUUSSTEK-PHXNAMCJSA-N 1 3 327.472 2.032 10 0 EEAEHO CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\CNCc1cnccc1C ZINC001497761901 1103050033 /nfs/dbraw/zinc/05/00/33/1103050033.db2.gz CNATUCSAUXDTIF-XFHJGTJQSA-N 1 3 330.476 2.026 10 0 EEAEHO CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C\CNCc1cnccc1C ZINC001497761901 1103050051 /nfs/dbraw/zinc/05/00/51/1103050051.db2.gz CNATUCSAUXDTIF-XFHJGTJQSA-N 1 3 330.476 2.026 10 0 EEAEHO COCCN(C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001447765779 1103263051 /nfs/dbraw/zinc/26/30/51/1103263051.db2.gz DTCZDYBLJWHWJP-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO CN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001480655138 1106827898 /nfs/dbraw/zinc/82/78/98/1106827898.db2.gz YICNOIJOXYRJLZ-ZMCCTTKHSA-N 1 3 334.291 2.228 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001480709730 1106932705 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339.524 2.114 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCc1ccccc1F ZINC001505423676 1113958365 /nfs/dbraw/zinc/95/83/65/1113958365.db2.gz AISKOUOKPIXEFJ-HKUYNNGSSA-N 1 3 347.478 2.385 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCc1ccccc1F ZINC001505423676 1113958367 /nfs/dbraw/zinc/95/83/67/1113958367.db2.gz AISKOUOKPIXEFJ-HKUYNNGSSA-N 1 3 347.478 2.385 10 0 EEAEHO CCOCCN(C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001505436778 1113970696 /nfs/dbraw/zinc/97/06/96/1113970696.db2.gz DXHDXZVRMAWWCE-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO CCOCCN(C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001505436778 1113970698 /nfs/dbraw/zinc/97/06/98/1113970698.db2.gz DXHDXZVRMAWWCE-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C)C[C@H]21)N(C)C ZINC001506812150 1114891283 /nfs/dbraw/zinc/89/12/83/1114891283.db2.gz DQBJQQHCZVCURA-OKYOBFRVSA-N 1 3 347.478 2.268 10 0 EEAEHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C)C[C@H]21)N(C)C ZINC001506812150 1114891287 /nfs/dbraw/zinc/89/12/87/1114891287.db2.gz DQBJQQHCZVCURA-OKYOBFRVSA-N 1 3 347.478 2.268 10 0 EEAEHO CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001506899553 1114959085 /nfs/dbraw/zinc/95/90/85/1114959085.db2.gz XKTVTWSBRULFOQ-QBPKDAKJSA-N 1 3 327.488 2.482 10 0 EEAEHO Cc1cc(CN[C@@H](C)CN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)sn1 ZINC001507088193 1115101908 /nfs/dbraw/zinc/10/19/08/1115101908.db2.gz ZXSWRGFIVIOOKQ-LSDHHAIUSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1cc(CN[C@@H](C)CN(C)C(=O)CC[C@H]2CCC[N@H+]2C)sn1 ZINC001507088193 1115101909 /nfs/dbraw/zinc/10/19/09/1115101909.db2.gz ZXSWRGFIVIOOKQ-LSDHHAIUSA-N 1 3 338.521 2.262 10 0 EEAEHO C[C@@H]1[C@H]([NH2+]CCCCC(F)(F)F)CCN1C(=O)Cc1c[nH]cn1 ZINC001507290374 1115176356 /nfs/dbraw/zinc/17/63/56/1115176356.db2.gz XWBQIMVVEUQAIN-DGCLKSJQSA-N 1 3 332.370 2.264 10 0 EEAEHO Cc1ccccc1OCC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001507295629 1115178751 /nfs/dbraw/zinc/17/87/51/1115178751.db2.gz DEGAVRIZSUBSDQ-MSOLQXFVSA-N 1 3 347.503 2.293 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2cncc(C)c2)C(C)(C)C1 ZINC001507450755 1115276479 /nfs/dbraw/zinc/27/64/79/1115276479.db2.gz WJZYAJLFUNXLRA-KRWDZBQOSA-N 1 3 332.492 2.058 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2cncc(C)c2)C(C)(C)C1 ZINC001507450755 1115276482 /nfs/dbraw/zinc/27/64/82/1115276482.db2.gz WJZYAJLFUNXLRA-KRWDZBQOSA-N 1 3 332.492 2.058 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCC2=CC[N@H+](CC[C@@H]3CCCCO3)CC2)C1 ZINC001508220711 1115449600 /nfs/dbraw/zinc/44/96/00/1115449600.db2.gz VTUQPOXXBNMXMC-HKUYNNGSSA-N 1 3 349.519 2.036 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCC2=CC[N@@H+](CC[C@@H]3CCCCO3)CC2)C1 ZINC001508220711 1115449601 /nfs/dbraw/zinc/44/96/01/1115449601.db2.gz VTUQPOXXBNMXMC-HKUYNNGSSA-N 1 3 349.519 2.036 10 0 EEAEHO O=C(N[C@H](CNCCF)C1CCCCC1)C12CCC[NH+](CCC1)C2 ZINC001568343578 1124428592 /nfs/dbraw/zinc/42/85/92/1124428592.db2.gz LSZZIWSKINCQFH-QGZVFWFLSA-N 1 3 339.499 2.487 10 0 EEAEHO C[C@H](CC[NH2+]CCC(F)(F)F)NC(=O)CN(C)CC(C)(C)C ZINC001568677784 1124689360 /nfs/dbraw/zinc/68/93/60/1124689360.db2.gz GQZGSGOLHQRMAZ-GFCCVEGCSA-N 1 3 325.419 2.401 10 0 EEAEHO C[C@H](C[NH2+]CCc1ccc(F)c(F)c1)NC(=O)CN(C)C1CCC1 ZINC001568997653 1125028808 /nfs/dbraw/zinc/02/88/08/1125028808.db2.gz WFOWXYNRTWATEN-CYBMUJFWSA-N 1 3 339.430 2.086 10 0 EEAEHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCN2CCc3ccccc3C2)C1 ZINC000416175299 529808720 /nfs/dbraw/zinc/80/87/20/529808720.db2.gz HRUGATZWFQNHRJ-UXHICEINSA-N 1 3 341.499 2.378 10 0 EEAEHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCN2CCc3ccccc3C2)C1 ZINC000416175299 529808721 /nfs/dbraw/zinc/80/87/21/529808721.db2.gz HRUGATZWFQNHRJ-UXHICEINSA-N 1 3 341.499 2.378 10 0 EEAEHO C[NH+](C)C1CCC(NC(=O)CCN2CCc3ccccc3C2)CC1 ZINC000422009361 240096325 /nfs/dbraw/zinc/09/63/25/240096325.db2.gz RDXHOUZGAFPFJZ-UHFFFAOYSA-N 1 3 329.488 2.424 10 0 EEAEHO Cn1cc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cn1 ZINC000422784012 240224462 /nfs/dbraw/zinc/22/44/62/240224462.db2.gz PCGGXVOLMVEHKM-JCHJZTRSSA-N 1 3 331.508 2.289 10 0 EEAEHO CCOC(=O)C1([C@@H](C)NCc2nc3cc(C)ccc3[nH]2)CC[NH2+]CC1 ZINC000422806328 240236632 /nfs/dbraw/zinc/23/66/32/240236632.db2.gz IACKMDBIVWGVOA-CQSZACIVSA-N 1 3 344.459 2.282 10 0 EEAEHO CCOC(=O)C1([C@@H](C)NCc2nc3ccc(C)cc3[nH]2)CC[NH2+]CC1 ZINC000422806328 240236638 /nfs/dbraw/zinc/23/66/38/240236638.db2.gz IACKMDBIVWGVOA-CQSZACIVSA-N 1 3 344.459 2.282 10 0 EEAEHO COC[C@@H](CCC[NH3+])Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000423024952 240331675 /nfs/dbraw/zinc/33/16/75/240331675.db2.gz KKFHGFJOUSOYEF-GOSISDBHSA-N 1 3 334.508 2.383 10 0 EEAEHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000423508339 240508674 /nfs/dbraw/zinc/50/86/74/240508674.db2.gz QOOVSPWUIXFZHX-KSSFIOAISA-N 1 3 347.484 2.465 10 0 EEAEHO CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000425370353 241139995 /nfs/dbraw/zinc/13/99/95/241139995.db2.gz NYONCKPEFAJHIQ-ROUUACIJSA-N 1 3 347.528 2.368 10 0 EEAEHO CC[N@@H+]1CC[C@@H](CN[C@@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC000446751577 242219000 /nfs/dbraw/zinc/21/90/00/242219000.db2.gz LJPHJYNUOCEGBE-LPHOPBHVSA-N 1 3 343.475 2.350 10 0 EEAEHO CC[N@H+]1CC[C@@H](CN[C@@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC000446751577 242219004 /nfs/dbraw/zinc/21/90/04/242219004.db2.gz LJPHJYNUOCEGBE-LPHOPBHVSA-N 1 3 343.475 2.350 10 0 EEAEHO CCN1CC[C@@H](C[NH2+][C@@H](CCn2cncn2)c2ccc(OC)cc2)C1 ZINC000446751577 242219006 /nfs/dbraw/zinc/21/90/06/242219006.db2.gz LJPHJYNUOCEGBE-LPHOPBHVSA-N 1 3 343.475 2.350 10 0 EEAEHO Cc1cccc(CC(=O)N2CCC[C@H]([N@@H+](C)CCCN(C)C)C2)c1 ZINC000012441762 211383617 /nfs/dbraw/zinc/38/36/17/211383617.db2.gz YTGSCERLFQYQOH-IBGZPJMESA-N 1 3 331.504 2.412 10 0 EEAEHO Cc1cccc(CC(=O)N2CCC[C@H]([N@H+](C)CCCN(C)C)C2)c1 ZINC000012441762 211383621 /nfs/dbraw/zinc/38/36/21/211383621.db2.gz YTGSCERLFQYQOH-IBGZPJMESA-N 1 3 331.504 2.412 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCN(C)CC1 ZINC000268737525 252187739 /nfs/dbraw/zinc/18/77/39/252187739.db2.gz OOVYKEFQJNALJF-TZIWHRDSSA-N 1 3 344.547 2.124 10 0 EEAEHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)CC(C)C ZINC000173687876 152189856 /nfs/dbraw/zinc/18/98/56/152189856.db2.gz FEBRRDBWRGAGHN-ROUUACIJSA-N 1 3 336.524 2.399 10 0 EEAEHO CN(c1ccccc1C[NH2+]C[C@@H]1CC[C@@H](O)C1)C1CCN(C)CC1 ZINC000248968256 160369810 /nfs/dbraw/zinc/36/98/10/160369810.db2.gz CCQQVVUGPXWWQM-VQIMIIECSA-N 1 3 331.504 2.468 10 0 EEAEHO CN1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCC2)[C@H]1c1ccccc1 ZINC000275422059 274246277 /nfs/dbraw/zinc/24/62/77/274246277.db2.gz HVBWLYKPJYDLSO-IAGOWNOFSA-N 1 3 330.476 2.215 10 0 EEAEHO CN1CCC2(CCCN2C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000352491186 289101100 /nfs/dbraw/zinc/10/11/00/289101100.db2.gz OIVPPZNBHMJFRN-UHFFFAOYSA-N 1 3 336.524 2.377 10 0 EEAEHO COC[C@H](CCC[NH3+])N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422791520 293098014 /nfs/dbraw/zinc/09/80/14/293098014.db2.gz YPVFKTYFLWFJPK-ZFWWWQNUSA-N 1 3 339.867 2.179 10 0 EEAEHO O[C@H]1[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)CCC12CCOCC2 ZINC000298150402 294432156 /nfs/dbraw/zinc/43/21/56/294432156.db2.gz ROWIGLTVDGMHRM-LPHOPBHVSA-N 1 3 345.487 2.208 10 0 EEAEHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000414296898 312993562 /nfs/dbraw/zinc/99/35/62/312993562.db2.gz FSHYEZOIYKPKBA-MJGOQNOKSA-N 1 3 332.488 2.418 10 0 EEAEHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417016363 313396278 /nfs/dbraw/zinc/39/62/78/313396278.db2.gz GASSBDOMHNYCSR-RTBURBONSA-N 1 3 342.487 2.359 10 0 EEAEHO N[C@@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000418449853 313817209 /nfs/dbraw/zinc/81/72/09/313817209.db2.gz KXNBPOTXTHEUCE-ZWKOTPCHSA-N 1 3 326.444 2.466 10 0 EEAEHO CN(CCC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccncc1 ZINC000541856913 318112367 /nfs/dbraw/zinc/11/23/67/318112367.db2.gz FVAPRQCHCWYBDP-UHFFFAOYSA-N 1 3 330.476 2.385 10 0 EEAEHO CN(CCC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccncc1 ZINC000541856913 318112371 /nfs/dbraw/zinc/11/23/71/318112371.db2.gz FVAPRQCHCWYBDP-UHFFFAOYSA-N 1 3 330.476 2.385 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)COC2CCC([NH3+])CC2)C1 ZINC000565771825 319212498 /nfs/dbraw/zinc/21/24/98/319212498.db2.gz HWHLJTWEKPCIRX-IZIZEDOESA-N 1 3 345.487 2.225 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)NCCC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000572036166 319809899 /nfs/dbraw/zinc/80/98/99/319809899.db2.gz IPIMMYQTFCWPSW-GOSISDBHSA-N 1 3 344.503 2.091 10 0 EEAEHO NC[C@@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000575236181 320098145 /nfs/dbraw/zinc/09/81/45/320098145.db2.gz KIROHPVNSPRFKS-RTBURBONSA-N 1 3 338.455 2.376 10 0 EEAEHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc2c(c1)sc(=O)n2C ZINC000192685964 323481470 /nfs/dbraw/zinc/48/14/70/323481470.db2.gz OJIKNPNHZUWQQO-AWEZNQCLSA-N 1 3 337.489 2.046 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000581250029 324215025 /nfs/dbraw/zinc/21/50/25/324215025.db2.gz XPWGRVOQYXVHMN-VQIMIIECSA-N 1 3 344.503 2.375 10 0 EEAEHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000581250029 324215029 /nfs/dbraw/zinc/21/50/29/324215029.db2.gz XPWGRVOQYXVHMN-VQIMIIECSA-N 1 3 344.503 2.375 10 0 EEAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000337312604 465300068 /nfs/dbraw/zinc/30/00/68/465300068.db2.gz FMJPMIJOSLNYLU-ROUUACIJSA-N 1 3 325.541 2.131 10 0 EEAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000337312604 465300072 /nfs/dbraw/zinc/30/00/72/465300072.db2.gz FMJPMIJOSLNYLU-ROUUACIJSA-N 1 3 325.541 2.131 10 0 EEAEHO Cc1nc2cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc2o1 ZINC000120301620 462983769 /nfs/dbraw/zinc/98/37/69/462983769.db2.gz UIOGOWXAIBLXID-UHFFFAOYSA-N 1 3 333.436 2.093 10 0 EEAEHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000054510774 463239440 /nfs/dbraw/zinc/23/94/40/463239440.db2.gz QTLNPDIXHDIIRL-OALUTQOASA-N 1 3 346.519 2.190 10 0 EEAEHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000054510774 463239446 /nfs/dbraw/zinc/23/94/46/463239446.db2.gz QTLNPDIXHDIIRL-OALUTQOASA-N 1 3 346.519 2.190 10 0 EEAEHO C[C@@]1(CNC(=O)NC2(C)CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000568491273 468345863 /nfs/dbraw/zinc/34/58/63/468345863.db2.gz SWNOFRJIAPAABI-FQEVSTJZSA-N 1 3 344.503 2.482 10 0 EEAEHO C[C@H](CCn1cccn1)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000158884416 463257121 /nfs/dbraw/zinc/25/71/21/463257121.db2.gz HCCIUVCVYCMKEM-GOSISDBHSA-N 1 3 333.524 2.202 10 0 EEAEHO C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000170834941 463718781 /nfs/dbraw/zinc/71/87/81/463718781.db2.gz VQPJVABOAVDAQD-OALUTQOASA-N 1 3 344.503 2.387 10 0 EEAEHO c1ccc(CN2CCN(CCCC[NH2+]Cc3cncnc3)CC2)cc1 ZINC000171129516 463793222 /nfs/dbraw/zinc/79/32/22/463793222.db2.gz STHLOGYAPQLMJM-UHFFFAOYSA-N 1 3 339.487 2.164 10 0 EEAEHO [NH3+]C[C@@H]1CN(Cc2cc(-n3ccnc3)cs2)CC12CCOCC2 ZINC000579592852 468382225 /nfs/dbraw/zinc/38/22/25/468382225.db2.gz JMLMBRNWNORXSN-CQSZACIVSA-N 1 3 332.473 2.121 10 0 EEAEHO NC[C@@H]1C[N@H+](Cc2cc(-n3ccnc3)cs2)CC12CCOCC2 ZINC000579592852 468382229 /nfs/dbraw/zinc/38/22/29/468382229.db2.gz JMLMBRNWNORXSN-CQSZACIVSA-N 1 3 332.473 2.121 10 0 EEAEHO NC[C@@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)CC12CCOCC2 ZINC000579592852 468382234 /nfs/dbraw/zinc/38/22/34/468382234.db2.gz JMLMBRNWNORXSN-CQSZACIVSA-N 1 3 332.473 2.121 10 0 EEAEHO c1nn(Cc2ccccc2)cc1CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261958424 463910641 /nfs/dbraw/zinc/91/06/41/463910641.db2.gz PFYSGJHOMAUNQJ-AQNXPRMDSA-N 1 3 340.471 2.178 10 0 EEAEHO O=C(NCC1(N2CCCCC2)CCOCC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262674818 464038314 /nfs/dbraw/zinc/03/83/14/464038314.db2.gz RBEXDLOGZXIBOC-KURKYZTESA-N 1 3 349.519 2.058 10 0 EEAEHO C[C@H]1CCCCN1CCNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276343275 464897459 /nfs/dbraw/zinc/89/74/59/464897459.db2.gz SIZKGIHVJFJDME-KRWDZBQOSA-N 1 3 346.519 2.464 10 0 EEAEHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000192785782 464998157 /nfs/dbraw/zinc/99/81/57/464998157.db2.gz DIMODGOIMNAZBQ-INIZCTEOSA-N 1 3 333.476 2.482 10 0 EEAEHO C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000352347613 465517365 /nfs/dbraw/zinc/51/73/65/465517365.db2.gz QIBOHNDJGHDNMN-FUHWJXTLSA-N 1 3 332.492 2.290 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000352358975 465518830 /nfs/dbraw/zinc/51/88/30/465518830.db2.gz AOWQDFLHNOTEEH-JXQTWKCFSA-N 1 3 333.398 2.002 10 0 EEAEHO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000362226613 465587052 /nfs/dbraw/zinc/58/70/52/465587052.db2.gz JBJMAPQYDFMFIK-QGZVFWFLSA-N 1 3 347.503 2.431 10 0 EEAEHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000362226613 465587059 /nfs/dbraw/zinc/58/70/59/465587059.db2.gz JBJMAPQYDFMFIK-QGZVFWFLSA-N 1 3 347.503 2.431 10 0 EEAEHO C[N@@H+]1CC[C@H](NCCNc2nccc(C(F)(F)F)n2)[C@@H]2CCC[C@@H]21 ZINC000367603279 466443194 /nfs/dbraw/zinc/44/31/94/466443194.db2.gz YUNNYRHOUABAPT-AVGNSLFASA-N 1 3 343.397 2.370 10 0 EEAEHO C[N@H+]1CC[C@H](NCCNc2nccc(C(F)(F)F)n2)[C@@H]2CCC[C@@H]21 ZINC000367603279 466443204 /nfs/dbraw/zinc/44/32/04/466443204.db2.gz YUNNYRHOUABAPT-AVGNSLFASA-N 1 3 343.397 2.370 10 0 EEAEHO C[N@@H+]1CC[C@H](NCc2ccc(Cn3cncn3)cc2)[C@H]2CCC[C@H]21 ZINC000367615995 466450355 /nfs/dbraw/zinc/45/03/55/466450355.db2.gz MTHXDRDIAHXFCT-CEXWTWQISA-N 1 3 325.460 2.289 10 0 EEAEHO C[N@H+]1CC[C@H](NCc2ccc(Cn3cncn3)cc2)[C@H]2CCC[C@H]21 ZINC000367615995 466450360 /nfs/dbraw/zinc/45/03/60/466450360.db2.gz MTHXDRDIAHXFCT-CEXWTWQISA-N 1 3 325.460 2.289 10 0 EEAEHO Brc1cccc2c1C[C@H]([NH2+]C[C@H]1CNCCCO1)CC2 ZINC000423495552 466758324 /nfs/dbraw/zinc/75/83/24/466758324.db2.gz URMSTWDGGWGHBV-ZIAGYGMSSA-N 1 3 339.277 2.275 10 0 EEAEHO C[C@@H]1CCC[C@](CNC(=O)NC[C@@H](N)c2ccccc2)([NH+](C)C)C1 ZINC000417218754 466806330 /nfs/dbraw/zinc/80/63/30/466806330.db2.gz UCRXRNVRLLFTKL-SUMDDJOVSA-N 1 3 332.492 2.496 10 0 EEAEHO CCN1CCCC[C@H]1CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417580871 466887279 /nfs/dbraw/zinc/88/72/79/466887279.db2.gz DVMHBQKBBUSFPN-SFHVURJKSA-N 1 3 332.492 2.074 10 0 EEAEHO COc1cccc(N2C[C@H]([NH2+]C3CCN(C(C)C)CC3)CC2=O)c1 ZINC000370644419 466952473 /nfs/dbraw/zinc/95/24/73/466952473.db2.gz FNBVZELOJXUSCF-MRXNPFEDSA-N 1 3 331.460 2.263 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](N)c2ccccc2)C1 ZINC000417916423 466984417 /nfs/dbraw/zinc/98/44/17/466984417.db2.gz VZKPHXZJMQNGGW-AEFFLSMTSA-N 1 3 332.492 2.354 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](N)c2ccccc2)C1 ZINC000417916423 466984420 /nfs/dbraw/zinc/98/44/20/466984420.db2.gz VZKPHXZJMQNGGW-AEFFLSMTSA-N 1 3 332.492 2.354 10 0 EEAEHO CCCN(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000417931107 466990431 /nfs/dbraw/zinc/99/04/31/466990431.db2.gz BOIDKJFGDHXNPC-KSZLIROESA-N 1 3 330.476 2.215 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418005216 467019808 /nfs/dbraw/zinc/01/98/08/467019808.db2.gz DFYXXNKBJBLCEL-ATZDWAIDSA-N 1 3 342.487 2.043 10 0 EEAEHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000424333241 467030880 /nfs/dbraw/zinc/03/08/80/467030880.db2.gz LXEXDVIYNFAVEH-RTBURBONSA-N 1 3 345.487 2.054 10 0 EEAEHO C[C@@]1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCCN1Cc1ccccc1 ZINC000418047568 467033487 /nfs/dbraw/zinc/03/34/87/467033487.db2.gz SVDRZBGWKYRPML-HBFSDRIKSA-N 1 3 342.487 2.044 10 0 EEAEHO N[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000418443312 467111583 /nfs/dbraw/zinc/11/15/83/467111583.db2.gz FMKSTNHRCKSJNN-ROUUACIJSA-N 1 3 330.476 2.346 10 0 EEAEHO C[C@@H]1C[C@H](NCC2(N3CCCCC3)CC[NH+](C)CC2)c2nccn21 ZINC000453113578 467460876 /nfs/dbraw/zinc/46/08/76/467460876.db2.gz FNGUFRYWRRLQHO-SJORKVTESA-N 1 3 331.508 2.429 10 0 EEAEHO C[C@@H]1C[C@H](NCC2([NH+]3CCCCC3)CCN(C)CC2)c2nccn21 ZINC000453113578 467460881 /nfs/dbraw/zinc/46/08/81/467460881.db2.gz FNGUFRYWRRLQHO-SJORKVTESA-N 1 3 331.508 2.429 10 0 EEAEHO C[C@@]1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC(=O)N1 ZINC000453430000 467488899 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Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)N2CCCC2)cc1 ZINC000570617684 468665684 /nfs/dbraw/zinc/66/56/84/468665684.db2.gz ILVRNTOKFIMTBO-QRQLOZEOSA-N 1 3 344.503 2.429 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000584709436 468917335 /nfs/dbraw/zinc/91/73/35/468917335.db2.gz FPMYEPGBFVAGFZ-LMSBXDPUSA-N 1 3 330.476 2.119 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000572368162 468923949 /nfs/dbraw/zinc/92/39/49/468923949.db2.gz VVTDXLANXAAKRY-DLBZAZTESA-N 1 3 345.487 2.089 10 0 EEAEHO CN1CC[C@@H]([NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)CC1(C)C ZINC000623421241 469651757 /nfs/dbraw/zinc/65/17/57/469651757.db2.gz CXULOMVKNKWWEQ-CTNGQTDRSA-N 1 3 345.531 2.476 10 0 EEAEHO C[N@@H+]1CC[C@@H](N[C@@]2(CO)CCCN(Cc3ccccc3)C2)CC1(C)C ZINC000623421241 469651759 /nfs/dbraw/zinc/65/17/59/469651759.db2.gz CXULOMVKNKWWEQ-CTNGQTDRSA-N 1 3 345.531 2.476 10 0 EEAEHO C[N@H+]1CC[C@@H](N[C@@]2(CO)CCCN(Cc3ccccc3)C2)CC1(C)C ZINC000623421241 469651761 /nfs/dbraw/zinc/65/17/61/469651761.db2.gz CXULOMVKNKWWEQ-CTNGQTDRSA-N 1 3 345.531 2.476 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2ncccc2c1 ZINC000617504880 469704090 /nfs/dbraw/zinc/70/40/90/469704090.db2.gz NWPFDSKLHOBMIS-HNNXBMFYSA-N 1 3 328.460 2.237 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2ncccc2c1 ZINC000617504880 469704095 /nfs/dbraw/zinc/70/40/95/469704095.db2.gz NWPFDSKLHOBMIS-HNNXBMFYSA-N 1 3 328.460 2.237 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C[NH2+]1 ZINC000627199680 469841905 /nfs/dbraw/zinc/84/19/05/469841905.db2.gz AXWASLUJORUYOU-ZHALLVOQSA-N 1 3 344.503 2.433 10 0 EEAEHO CN(C)Cc1cccc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000627739631 469987383 /nfs/dbraw/zinc/98/73/83/469987383.db2.gz KKXLQCGJIMWRPD-UHFFFAOYSA-N 1 3 345.487 2.075 10 0 EEAEHO CN(C)Cc1cccc(C(=O)N2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC000627739631 469987385 /nfs/dbraw/zinc/98/73/85/469987385.db2.gz KKXLQCGJIMWRPD-UHFFFAOYSA-N 1 3 345.487 2.075 10 0 EEAEHO C[C@](O)(C[C@H](O)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CC1 ZINC000634702401 470281724 /nfs/dbraw/zinc/28/17/24/470281724.db2.gz GOYJUYQOZPCWLP-GIVPXCGWSA-N 1 3 346.515 2.053 10 0 EEAEHO C[C@](O)(C[C@H](O)CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000634702401 470281726 /nfs/dbraw/zinc/28/17/26/470281726.db2.gz GOYJUYQOZPCWLP-GIVPXCGWSA-N 1 3 346.515 2.053 10 0 EEAEHO C[C@](O)(C[C@H](O)CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000634702401 470281728 /nfs/dbraw/zinc/28/17/28/470281728.db2.gz GOYJUYQOZPCWLP-GIVPXCGWSA-N 1 3 346.515 2.053 10 0 EEAEHO Cc1cccnc1CCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715714 470285561 /nfs/dbraw/zinc/28/55/61/470285561.db2.gz IVNLRJKRVPUILM-HXUWFJFHSA-N 1 3 325.456 2.159 10 0 EEAEHO Cc1cccnc1CCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715714 470285562 /nfs/dbraw/zinc/28/55/62/470285562.db2.gz IVNLRJKRVPUILM-HXUWFJFHSA-N 1 3 325.456 2.159 10 0 EEAEHO CC1(OCC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CNC1 ZINC000649310911 470541617 /nfs/dbraw/zinc/54/16/17/470541617.db2.gz MPPIKWNYYKLSRK-UHFFFAOYSA-N 1 3 345.487 2.057 10 0 EEAEHO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000646335281 470609069 /nfs/dbraw/zinc/60/90/69/470609069.db2.gz ATDLLYHMHUWSFZ-RBUKOAKNSA-N 1 3 345.487 2.456 10 0 EEAEHO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000646335281 470609073 /nfs/dbraw/zinc/60/90/73/470609073.db2.gz ATDLLYHMHUWSFZ-RBUKOAKNSA-N 1 3 345.487 2.456 10 0 EEAEHO c1ccc(CN2CC[C@H]3OCCN(CC[NH+]4CCCCC4)[C@H]3C2)cc1 ZINC000649750307 470684699 /nfs/dbraw/zinc/68/46/99/470684699.db2.gz KIENLOGARMXYSW-LEWJYISDSA-N 1 3 343.515 2.448 10 0 EEAEHO c1c(CNCCCN2CCN(c3cc[nH+]cc3)CC2)onc1C1CC1 ZINC000638461911 471104998 /nfs/dbraw/zinc/10/49/98/471104998.db2.gz HMLLQFVFKQYNHR-UHFFFAOYSA-N 1 3 341.459 2.249 10 0 EEAEHO COC[C@H](CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1)OC ZINC000657556242 471170003 /nfs/dbraw/zinc/17/00/03/471170003.db2.gz YALFNVUODNPEAP-IBGZPJMESA-N 1 3 349.519 2.358 10 0 EEAEHO [NH3+]CC1(CCNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000652117156 471237787 /nfs/dbraw/zinc/23/77/87/471237787.db2.gz DQSVWJGBYDDHJB-KRWDZBQOSA-N 1 3 330.476 2.252 10 0 EEAEHO C[C@H]1C[C@H](NC2(CN3CCN(c4ccccc4)CC3)CC2)CC[N@@H+]1C ZINC000658249408 471280089 /nfs/dbraw/zinc/28/00/89/471280089.db2.gz DZIMTIOXFDZNSD-RBUKOAKNSA-N 1 3 342.531 2.414 10 0 EEAEHO C[C@H]1C[C@H](NC2(CN3CCN(c4ccccc4)CC3)CC2)CC[N@H+]1C ZINC000658249408 471280091 /nfs/dbraw/zinc/28/00/91/471280091.db2.gz DZIMTIOXFDZNSD-RBUKOAKNSA-N 1 3 342.531 2.414 10 0 EEAEHO CN1CCN(Cc2ccccc2)[C@H](C[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000658341244 471289988 /nfs/dbraw/zinc/28/99/88/471289988.db2.gz HVISYPIBNXBZLH-OAQYLSRUSA-N 1 3 342.531 2.019 10 0 EEAEHO CN1CCN(Cc2ccccc2)[C@H](CNC2CC[NH+](C3CC3)CC2)C1 ZINC000658341244 471289990 /nfs/dbraw/zinc/28/99/90/471289990.db2.gz HVISYPIBNXBZLH-OAQYLSRUSA-N 1 3 342.531 2.019 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1cccs1 ZINC000663455061 471386442 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EEAEHO CC(C)N(C)C[C@H](O)C[N@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000660899802 471543197 /nfs/dbraw/zinc/54/31/97/471543197.db2.gz FLQJEDUFCUDNKL-VQTJNVASSA-N 1 3 334.504 2.351 10 0 EEAEHO CC(C)N(C)C[C@H](O)C[N@@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000660899802 471543203 /nfs/dbraw/zinc/54/32/03/471543203.db2.gz FLQJEDUFCUDNKL-VQTJNVASSA-N 1 3 334.504 2.351 10 0 EEAEHO C[NH2+]Cc1cccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)c1 ZINC000659305053 471573823 /nfs/dbraw/zinc/57/38/23/471573823.db2.gz YHYHAWQZHRKAQS-ZIAGYGMSSA-N 1 3 346.349 2.329 10 0 EEAEHO Cn1c2ccccc2cc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1=O ZINC000653570499 471669392 /nfs/dbraw/zinc/66/93/92/471669392.db2.gz QTZQTRKEFCOIAN-WMZOPIPTSA-N 1 3 325.456 2.455 10 0 EEAEHO Cn1c2ccccc2cc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1=O ZINC000653570499 471669400 /nfs/dbraw/zinc/66/94/00/471669400.db2.gz QTZQTRKEFCOIAN-WMZOPIPTSA-N 1 3 325.456 2.455 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000659623374 471702862 /nfs/dbraw/zinc/70/28/62/471702862.db2.gz AIWSNBDINGNHDS-GOSISDBHSA-N 1 3 332.492 2.277 10 0 EEAEHO CCN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CCN(CC)C1 ZINC000664727870 471845554 /nfs/dbraw/zinc/84/55/54/471845554.db2.gz RSPRFBMCUXGETE-LJQANCHMSA-N 1 3 346.519 2.416 10 0 EEAEHO Cc1cn2ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc2n1 ZINC000668168305 472036514 /nfs/dbraw/zinc/03/65/14/472036514.db2.gz TVKDGIJRFOPFGE-AWEZNQCLSA-N 1 3 346.479 2.036 10 0 EEAEHO Cc1cn2ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc2n1 ZINC000668168305 472036517 /nfs/dbraw/zinc/03/65/17/472036517.db2.gz TVKDGIJRFOPFGE-AWEZNQCLSA-N 1 3 346.479 2.036 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000668302549 472076673 /nfs/dbraw/zinc/07/66/73/472076673.db2.gz JUSYEISTHPXEPL-GDBMZVCRSA-N 1 3 331.451 2.154 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)[C@@H]2CCCC[C@H]21 ZINC000665760900 472176097 /nfs/dbraw/zinc/17/60/97/472176097.db2.gz RLBPUAJAXRPBPA-VSZNYVQBSA-N 1 3 338.540 2.479 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)[C@@H]2CCCC[C@H]21 ZINC000665760900 472176104 /nfs/dbraw/zinc/17/61/04/472176104.db2.gz RLBPUAJAXRPBPA-VSZNYVQBSA-N 1 3 338.540 2.479 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC2(CC2(F)F)CC1 ZINC000665764241 472178897 /nfs/dbraw/zinc/17/88/97/472178897.db2.gz YXFJMMSKFMJGFA-AWEZNQCLSA-N 1 3 346.466 2.089 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC2(CC2(F)F)CC1 ZINC000665764241 472178900 /nfs/dbraw/zinc/17/89/00/472178900.db2.gz YXFJMMSKFMJGFA-AWEZNQCLSA-N 1 3 346.466 2.089 10 0 EEAEHO NC[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000662669075 472197673 /nfs/dbraw/zinc/19/76/73/472197673.db2.gz UTMBHMLHXJKKRR-WMZOPIPTSA-N 1 3 333.451 2.391 10 0 EEAEHO NC[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000662669075 472197680 /nfs/dbraw/zinc/19/76/80/472197680.db2.gz UTMBHMLHXJKKRR-WMZOPIPTSA-N 1 3 333.451 2.391 10 0 EEAEHO C[C@H](CC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C1CC[NH2+]CC1 ZINC000662685733 472205699 /nfs/dbraw/zinc/20/56/99/472205699.db2.gz HEUUMLVDVYUMEC-RDTXWAMCSA-N 1 3 331.460 2.312 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000668660941 472214630 /nfs/dbraw/zinc/21/46/30/472214630.db2.gz IINKZMAEDVUZOD-ILXRZTDVSA-N 1 3 336.505 2.182 10 0 EEAEHO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cc(C(C)(C)N)no1 ZINC000662778016 472247544 /nfs/dbraw/zinc/24/75/44/472247544.db2.gz KRMKECWCZIXNQA-UHFFFAOYSA-N 1 3 348.422 2.212 10 0 EEAEHO CCc1cc(NCC[N@H+](C)CCCN(C)C)nc(-c2ccccn2)n1 ZINC000664247724 485601911 /nfs/dbraw/zinc/60/19/11/485601911.db2.gz FZNMQLBCUGUWTJ-UHFFFAOYSA-N 1 3 342.491 2.396 10 0 EEAEHO CCc1cc(NCC[N@@H+](C)CCCN(C)C)nc(-c2ccccn2)n1 ZINC000664247724 485601915 /nfs/dbraw/zinc/60/19/15/485601915.db2.gz FZNMQLBCUGUWTJ-UHFFFAOYSA-N 1 3 342.491 2.396 10 0 EEAEHO CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000495095963 534968161 /nfs/dbraw/zinc/96/81/61/534968161.db2.gz YWWQUECFFUKGHL-MSOLQXFVSA-N 1 3 329.488 2.198 10 0 EEAEHO C[C@@H]1[C@@H](C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CC[N@@H+]1C ZINC000764563704 577738880 /nfs/dbraw/zinc/73/88/80/577738880.db2.gz GWURAGQTUPSOGD-SCTDSRPQSA-N 1 3 329.488 2.450 10 0 EEAEHO C[C@@H]1[C@@H](C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CC[N@H+]1C ZINC000764563704 577738881 /nfs/dbraw/zinc/73/88/81/577738881.db2.gz GWURAGQTUPSOGD-SCTDSRPQSA-N 1 3 329.488 2.450 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001267018914 1178104835 /nfs/dbraw/zinc/10/48/35/1178104835.db2.gz RLTGQOIIHBBDTA-MJGOQNOKSA-N 1 3 329.488 2.152 10 0 EEAEHO C[N@@H+]1CC[C@@H](C(=O)NCCC[C@H]2CCCN2Cc2ccc(F)cn2)C1 ZINC001267181764 1178443402 /nfs/dbraw/zinc/44/34/02/1178443402.db2.gz NGFOOSMPYFAUTG-QAPCUYQASA-N 1 3 348.466 2.033 10 0 EEAEHO C[N@H+]1CC[C@@H](C(=O)NCCC[C@H]2CCCN2Cc2ccc(F)cn2)C1 ZINC001267181764 1178443405 /nfs/dbraw/zinc/44/34/05/1178443405.db2.gz NGFOOSMPYFAUTG-QAPCUYQASA-N 1 3 348.466 2.033 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC001481373684 1181152554 /nfs/dbraw/zinc/15/25/54/1181152554.db2.gz BIHORBGJPFDGLR-MOPGFXCFSA-N 1 3 347.503 2.343 10 0 EEAEHO COCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001268178605 1181960524 /nfs/dbraw/zinc/96/05/24/1181960524.db2.gz GCSDCDAMJLSORN-APWZRJJASA-N 1 3 347.503 2.225 10 0 EEAEHO C[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1CNCCF ZINC001268196647 1181993823 /nfs/dbraw/zinc/99/38/23/1181993823.db2.gz STONOSVQWZKYCW-CRAIPNDOSA-N 1 3 339.499 2.295 10 0 EEAEHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001268229387 1182043951 /nfs/dbraw/zinc/04/39/51/1182043951.db2.gz ZOIGPXHDZYRFDW-OAHLLOKOSA-N 1 3 340.899 2.306 10 0 EEAEHO CC(C)[C@H](C(=O)N1CCC(CC[NH2+]Cc2cccnc2)CC1)N(C)C ZINC001482005028 1183110490 /nfs/dbraw/zinc/11/04/90/1183110490.db2.gz ZQKQMBCERBRWRB-LJQANCHMSA-N 1 3 346.519 2.386 10 0 EEAEHO CN(CCCNCc1c(F)cccc1F)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268915910 1183825112 /nfs/dbraw/zinc/82/51/12/1183825112.db2.gz SDZOXPSPPJLQOA-AWEZNQCLSA-N 1 3 339.430 2.245 10 0 EEAEHO CN(CCCNCc1c(F)cccc1F)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268915910 1183825118 /nfs/dbraw/zinc/82/51/18/1183825118.db2.gz SDZOXPSPPJLQOA-AWEZNQCLSA-N 1 3 339.430 2.245 10 0 EEAEHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1c(C)nsc1C ZINC001482356958 1185501709 /nfs/dbraw/zinc/50/17/09/1185501709.db2.gz UNGQVFNWNFJNSN-LBPRGKRZSA-N 1 3 326.510 2.038 10 0 EEAEHO CC1CCN(CC(=O)N(C)CC[NH2+]Cc2ccnc(Cl)c2)CC1 ZINC001691524863 1186130093 /nfs/dbraw/zinc/13/00/93/1186130093.db2.gz BBSARUGWGFUBEF-UHFFFAOYSA-N 1 3 338.883 2.015 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccns2)C1 ZINC001482485289 1186205723 /nfs/dbraw/zinc/20/57/23/1186205723.db2.gz UNWMBHMFRPTAQP-CABCVRRESA-N 1 3 338.521 2.200 10 0 EEAEHO Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c(C)n1 ZINC001272845207 1193574536 /nfs/dbraw/zinc/57/45/36/1193574536.db2.gz PVKSAQJPYPFCBM-YJBOKZPZSA-N 1 3 334.508 2.269 10 0 EEAEHO C[C@H](C[NH2+]Cc1ccc(Cl)c(F)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001483167351 1189003451 /nfs/dbraw/zinc/00/34/51/1189003451.db2.gz ZAHRIEZZFCXZKM-QWHCGFSZSA-N 1 3 341.858 2.415 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001483188713 1189060648 /nfs/dbraw/zinc/06/06/48/1189060648.db2.gz SPDIAFZYGBJAIO-ZBFHGGJFSA-N 1 3 340.471 2.160 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)N(C)C)s1 ZINC001483470536 1190492938 /nfs/dbraw/zinc/49/29/38/1190492938.db2.gz FUWUAPPHEJAJCT-INIZCTEOSA-N 1 3 340.537 2.284 10 0 EEAEHO CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001483474158 1190495792 /nfs/dbraw/zinc/49/57/92/1190495792.db2.gz OQOOQKOJSXBIJH-GOSISDBHSA-N 1 3 330.476 2.446 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCOCC)CC1 ZINC001484136739 1191228291 /nfs/dbraw/zinc/22/82/91/1191228291.db2.gz CSRSSSOHYYETOL-KRWDZBQOSA-N 1 3 339.524 2.116 10 0 EEAEHO CN(C)C1(C(=O)NCC2([NH2+]CC3=CCCCC3)CCOCC2)CCC1 ZINC001484184603 1191263424 /nfs/dbraw/zinc/26/34/24/1191263424.db2.gz XZIOVEASUMDEAM-UHFFFAOYSA-N 1 3 349.519 2.226 10 0 EEAEHO Cc1ncccc1C[N@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001484728452 1191487374 /nfs/dbraw/zinc/48/73/74/1191487374.db2.gz PFEBSPRMKAIJTI-SFHVURJKSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1ncccc1C[N@@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001484728452 1191487376 /nfs/dbraw/zinc/48/73/76/1191487376.db2.gz PFEBSPRMKAIJTI-SFHVURJKSA-N 1 3 332.492 2.201 10 0 EEAEHO CCC1([NH2+]CCC(F)(F)F)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001484817171 1191538563 /nfs/dbraw/zinc/53/85/63/1191538563.db2.gz YOPVEPXJTRPRTA-UHFFFAOYSA-N 1 3 332.370 2.265 10 0 EEAEHO Cc1ncsc1CN[C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001486241051 1193767854 /nfs/dbraw/zinc/76/78/54/1193767854.db2.gz SHNRGMBWLUZXMT-OAHLLOKOSA-N 1 3 338.521 2.120 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCC(C)(C)C ZINC001486359293 1193845514 /nfs/dbraw/zinc/84/55/14/1193845514.db2.gz TZRLYNVXRZLXJH-IAGOWNOFSA-N 1 3 341.540 2.048 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCC(C)(C)C ZINC001486359293 1193845518 /nfs/dbraw/zinc/84/55/18/1193845518.db2.gz TZRLYNVXRZLXJH-IAGOWNOFSA-N 1 3 341.540 2.048 10 0 EEAEHO CC(C)N(CCN(C)CCOc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001486380191 1193891908 /nfs/dbraw/zinc/89/19/08/1193891908.db2.gz YVWUBYRNTSAHAD-SFHVURJKSA-N 1 3 347.503 2.186 10 0 EEAEHO CC(C)N(CCN(C)CCOc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001486380191 1193891913 /nfs/dbraw/zinc/89/19/13/1193891913.db2.gz YVWUBYRNTSAHAD-SFHVURJKSA-N 1 3 347.503 2.186 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001273140700 1196774308 /nfs/dbraw/zinc/77/43/08/1196774308.db2.gz PFWFDNMEWOMLJB-JQWIXIFHSA-N 1 3 347.290 2.329 10 0 EEAEHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)NCc1cncs1 ZINC001410444402 1197923307 /nfs/dbraw/zinc/92/33/07/1197923307.db2.gz BQOMTHNUVFDOEQ-HOCLYGCPSA-N 1 3 338.521 2.343 10 0 EEAEHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)NCc1cncs1 ZINC001410444402 1197923309 /nfs/dbraw/zinc/92/33/09/1197923309.db2.gz BQOMTHNUVFDOEQ-HOCLYGCPSA-N 1 3 338.521 2.343 10 0 EEAEHO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(C)CCCCCC[NH3+] ZINC000872154882 1198061516 /nfs/dbraw/zinc/06/15/16/1198061516.db2.gz DFFGTOUMLLPJGE-AWEZNQCLSA-N 1 3 335.448 2.236 10 0 EEAEHO C[C@](O)(C[C@@H](O)CNC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000872208004 1198086295 /nfs/dbraw/zinc/08/62/95/1198086295.db2.gz MKHNUOVSCDPADN-NJYVYQBISA-N 1 3 346.515 2.400 10 0 EEAEHO C[C@](O)(C[C@@H](O)CNC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000872208004 1198086301 /nfs/dbraw/zinc/08/63/01/1198086301.db2.gz MKHNUOVSCDPADN-NJYVYQBISA-N 1 3 346.515 2.400 10 0 EEAEHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)CCO1 ZINC001273323450 1198164932 /nfs/dbraw/zinc/16/49/32/1198164932.db2.gz NNMPQQGHPSCSOD-MSOLQXFVSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000810133181 1199291273 /nfs/dbraw/zinc/29/12/73/1199291273.db2.gz CWETTWNDIVMZGY-RVKKMQEKSA-N 1 3 327.488 2.436 10 0 EEAEHO C[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000810133181 1199291280 /nfs/dbraw/zinc/29/12/80/1199291280.db2.gz CWETTWNDIVMZGY-RVKKMQEKSA-N 1 3 327.488 2.436 10 0 EEAEHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCC[C@]12CCCO2)c1ccccc1 ZINC000880506772 1201507242 /nfs/dbraw/zinc/50/72/42/1201507242.db2.gz SRZADHPSWMQQJG-GGPKGHCWSA-N 1 3 345.487 2.097 10 0 EEAEHO COc1cc(C)cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1C ZINC000869236698 1201971176 /nfs/dbraw/zinc/97/11/76/1201971176.db2.gz HBEIEMAWAMTVTR-HNNXBMFYSA-N 1 3 335.492 2.314 10 0 EEAEHO COc1cc(C)cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1C ZINC000869236698 1201971178 /nfs/dbraw/zinc/97/11/78/1201971178.db2.gz HBEIEMAWAMTVTR-HNNXBMFYSA-N 1 3 335.492 2.314 10 0 EEAEHO CC(C)COCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001274252131 1204977214 /nfs/dbraw/zinc/97/72/14/1204977214.db2.gz SXCJMJFLXOQKLO-DLBZAZTESA-N 1 3 341.540 2.073 10 0 EEAEHO COc1ccc([C@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1OC ZINC000925859459 1206162224 /nfs/dbraw/zinc/16/22/24/1206162224.db2.gz YNOHXTSWFYVCLT-ZFWWWQNUSA-N 1 3 348.443 2.040 10 0 EEAEHO CC1(C)CNC(=O)[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000926725539 1206240072 /nfs/dbraw/zinc/24/00/72/1206240072.db2.gz KBGRICQICXEZGZ-QZTJIDSGSA-N 1 3 341.499 2.403 10 0 EEAEHO CN(C)[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)Cc1ccccc1 ZINC000900013962 1233974899 /nfs/dbraw/zinc/97/48/99/1233974899.db2.gz SUZQNTZDJGPFLO-FHWLQOOXSA-N 1 3 329.488 2.292 10 0 EEAEHO CN(C)[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)Cc1ccccc1 ZINC000900013962 1233974903 /nfs/dbraw/zinc/97/49/03/1233974903.db2.gz SUZQNTZDJGPFLO-FHWLQOOXSA-N 1 3 329.488 2.292 10 0 EEAEHO Cc1cc([C@@H]([NH3+])CC(=O)N2CCN(CC(C)C)CC2)cc(Cl)n1 ZINC000827284035 1239194050 /nfs/dbraw/zinc/19/40/50/1239194050.db2.gz SXMVMUIOPYKHNW-HNNXBMFYSA-N 1 3 338.883 2.234 10 0 EEAEHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000903442632 1240486312 /nfs/dbraw/zinc/48/63/12/1240486312.db2.gz VJVJDFDHPVHQPA-MCIONIFRSA-N 1 3 336.867 2.241 10 0 EEAEHO c1ccc(-c2nnn(CCCCC[NH2+][C@H]3CCNC34CCC4)n2)cc1 ZINC000903470851 1240573689 /nfs/dbraw/zinc/57/36/89/1240573689.db2.gz OFIFLPHPBCECLI-KRWDZBQOSA-N 1 3 340.475 2.385 10 0 EEAEHO CC(C)c1nc(CCNCc2cnnn2[C@@H]2CCC[NH2+]C2)cs1 ZINC000903924530 1242518716 /nfs/dbraw/zinc/51/87/16/1242518716.db2.gz FNRWVVCOGBLLHL-CQSZACIVSA-N 1 3 334.493 2.115 10 0 EEAEHO O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931220 1242549197 /nfs/dbraw/zinc/54/91/97/1242549197.db2.gz AWSOUNOAHXDYOH-ZNUQSRJQSA-N 1 3 339.483 2.223 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc(Cl)n1 ZINC000826935046 1248131675 /nfs/dbraw/zinc/13/16/75/1248131675.db2.gz SHLPQAVLIACMLL-ZFWWWQNUSA-N 1 3 338.883 2.424 10 0 EEAEHO CC(C)[C@@H](C(=O)NC[C@H]1CCCCN1CCCF)[NH+]1CCCC1 ZINC001491236763 1258827691 /nfs/dbraw/zinc/82/76/91/1258827691.db2.gz OPQMJFMNSIBBHE-SJORKVTESA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1ccc(C[NH2+][C@@H](CNC(=O)CN2CC[C@H](C)C2)C2CC2)cc1F ZINC001490708626 1291591658 /nfs/dbraw/zinc/59/16/58/1291591658.db2.gz CWXGPIFRRFHJTO-LIRRHRJNSA-N 1 3 347.478 2.460 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)cc1 ZINC001278424757 1310207085 /nfs/dbraw/zinc/20/70/85/1310207085.db2.gz VSVCOHHZVAQQTF-QZTJIDSGSA-N 1 3 347.503 2.293 10 0 EEAEHO CC(C)OCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001278585778 1317280106 /nfs/dbraw/zinc/28/01/06/1317280106.db2.gz OCCLZJNJRCQEKE-DLBZAZTESA-N 1 3 339.524 2.160 10 0 EEAEHO C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H](CNCCF)C1 ZINC001264567032 1322733564 /nfs/dbraw/zinc/73/35/64/1322733564.db2.gz QHZFLLUMLNKYNK-SJORKVTESA-N 1 3 327.488 2.439 10 0 EEAEHO COc1ccc(C[N@H+](C)CCCNC(=O)C2(N(C)C)CCC2)cc1C ZINC001264994605 1322843201 /nfs/dbraw/zinc/84/32/01/1322843201.db2.gz CZZDHVQPHVTGTL-UHFFFAOYSA-N 1 3 347.503 2.426 10 0 EEAEHO COc1ccc(C[N@@H+](C)CCCNC(=O)C2(N(C)C)CCC2)cc1C ZINC001264994605 1322843203 /nfs/dbraw/zinc/84/32/03/1322843203.db2.gz CZZDHVQPHVTGTL-UHFFFAOYSA-N 1 3 347.503 2.426 10 0 EEAEHO CC(C)c1cccc(CN(C)CCCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001265068864 1322905459 /nfs/dbraw/zinc/90/54/59/1322905459.db2.gz UQRGAWMLZTUWBO-MRXNPFEDSA-N 1 3 332.492 2.095 10 0 EEAEHO CC(C)c1cccc(CN(C)CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001265068864 1322905462 /nfs/dbraw/zinc/90/54/62/1322905462.db2.gz UQRGAWMLZTUWBO-MRXNPFEDSA-N 1 3 332.492 2.095 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001265636214 1323285757 /nfs/dbraw/zinc/28/57/57/1323285757.db2.gz FRVSTXSYJQBBML-VKFONMJVSA-N 1 3 327.900 2.442 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCN(C)Cc1ncccc1C ZINC001265857694 1323431306 /nfs/dbraw/zinc/43/13/06/1323431306.db2.gz ITRUQXZNNCVTAU-SFHVURJKSA-N 1 3 332.492 2.203 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NCCCN(C)Cc1ncccc1C ZINC001265857694 1323431311 /nfs/dbraw/zinc/43/13/11/1323431311.db2.gz ITRUQXZNNCVTAU-SFHVURJKSA-N 1 3 332.492 2.203 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001266031339 1323581830 /nfs/dbraw/zinc/58/18/30/1323581830.db2.gz APWQSORNQQCQIT-VQFGERMISA-N 1 3 329.488 2.480 10 0 EEAEHO CCN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1ncccc1C ZINC001266101079 1323665077 /nfs/dbraw/zinc/66/50/77/1323665077.db2.gz SGLBWCRYCILHQV-QGZVFWFLSA-N 1 3 332.492 2.060 10 0 EEAEHO CCN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1ncccc1C ZINC001266101079 1323665082 /nfs/dbraw/zinc/66/50/82/1323665082.db2.gz SGLBWCRYCILHQV-QGZVFWFLSA-N 1 3 332.492 2.060 10 0 EEAEHO Cc1ccncc1C[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001280198699 1324110801 /nfs/dbraw/zinc/11/08/01/1324110801.db2.gz VVJQHHDEAAQNIP-SJLPKXTDSA-N 1 3 344.503 2.060 10 0 EEAEHO CC[C@@H](C(=O)N1CCC(CC)([NH2+]CCOC2CCC2)CC1)N(C)C ZINC001281031603 1324730142 /nfs/dbraw/zinc/73/01/42/1324730142.db2.gz UELUDGFSMSKIQH-KRWDZBQOSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1cncc(CN[C@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001491603085 1330200836 /nfs/dbraw/zinc/20/08/36/1330200836.db2.gz QLYQUDNTHVKMGR-IAGOWNOFSA-N 1 3 332.492 2.249 10 0 EEAEHO Cc1cccc([C@@H](C)N(C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001492256994 1331118025 /nfs/dbraw/zinc/11/80/25/1331118025.db2.gz JGHZOQCODHQCQY-VQIMIIECSA-N 1 3 329.488 2.446 10 0 EEAEHO C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(Cc3cccnc3)C[C@H]2C1 ZINC001316758512 1331876198 /nfs/dbraw/zinc/87/61/98/1331876198.db2.gz DWOMTAMAKMGSAR-MOPGFXCFSA-N 1 3 344.503 2.094 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)[C@H]1C ZINC001316800656 1331899616 /nfs/dbraw/zinc/89/96/16/1331899616.db2.gz YMOUOCNRPGQGCP-FGTMMUONSA-N 1 3 339.524 2.112 10 0 EEAEHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)[C@H]1C ZINC001316800656 1331899618 /nfs/dbraw/zinc/89/96/18/1331899618.db2.gz YMOUOCNRPGQGCP-FGTMMUONSA-N 1 3 339.524 2.112 10 0 EEAEHO CC[C@@H](F)CN(CCCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001316922130 1331988638 /nfs/dbraw/zinc/98/86/38/1331988638.db2.gz OJWJEXLHXKOOCY-OAHLLOKOSA-N 1 3 325.472 2.334 10 0 EEAEHO CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001317088534 1332074678 /nfs/dbraw/zinc/07/46/78/1332074678.db2.gz RKVCPDILGDUFFV-MPGHIAIKSA-N 1 3 325.472 2.402 10 0 EEAEHO CC1CCN(CC(=O)N2CCC[C@@H](C[NH2+]C/C=C/Cl)C2)CC1 ZINC001317162987 1332106850 /nfs/dbraw/zinc/10/68/50/1332106850.db2.gz YBXCUMLZZDSVLI-SEJWUHKESA-N 1 3 327.900 2.299 10 0 EEAEHO CC[C@H](C(=O)NC1(C[NH2+]CCC2CCOCC2)CCCC1)N(C)C ZINC001318662895 1332573918 /nfs/dbraw/zinc/57/39/18/1332573918.db2.gz BWAUCTJYEUZNNQ-QGZVFWFLSA-N 1 3 339.524 2.162 10 0 EEAEHO CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2nccs2)CC1)N(C)C ZINC001318897131 1332619972 /nfs/dbraw/zinc/61/99/72/1332619972.db2.gz XYMJDGVYICLKLU-OAHLLOKOSA-N 1 3 338.521 2.202 10 0 EEAEHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001319129776 1332653799 /nfs/dbraw/zinc/65/37/99/1332653799.db2.gz IHMYTNAJHROYFX-JKSUJKDBSA-N 1 3 343.462 2.488 10 0 EEAEHO CN(C)Cc1cccc(C(=O)N2CCCC[C@@H]2CC[NH2+]CCCO)c1 ZINC001319789611 1332768341 /nfs/dbraw/zinc/76/83/41/1332768341.db2.gz BXWCSEKBDCJUES-LJQANCHMSA-N 1 3 347.503 2.105 10 0 EEAEHO COCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001322373589 1333255816 /nfs/dbraw/zinc/25/58/16/1333255816.db2.gz YNVARAHIJRHQNJ-MOPGFXCFSA-N 1 3 347.503 2.273 10 0 EEAEHO CC(C)(C(=O)N[C@H](C[NH2+]CCC(F)(F)F)C1CC1)N1CCCC1 ZINC001323051983 1333375881 /nfs/dbraw/zinc/37/58/81/1333375881.db2.gz QODGIJCMBWUCFG-CYBMUJFWSA-N 1 3 335.414 2.298 10 0 EEAEHO Cc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC001326223270 1334046852 /nfs/dbraw/zinc/04/68/52/1334046852.db2.gz HHLDRBARRYVHCI-RTBURBONSA-N 1 3 329.488 2.417 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C)nc2C)C1)N(C)C ZINC001326412409 1334088385 /nfs/dbraw/zinc/08/83/85/1334088385.db2.gz SKTWODAOXKDRJT-MJGOQNOKSA-N 1 3 346.519 2.367 10 0 EEAEHO CC(C)COCC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001328260299 1334429007 /nfs/dbraw/zinc/42/90/07/1334429007.db2.gz RYVSPYQSCQKRPV-DLBZAZTESA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)COCC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001328260299 1334429010 /nfs/dbraw/zinc/42/90/10/1334429010.db2.gz RYVSPYQSCQKRPV-DLBZAZTESA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@H]1C[C@@H]([NH2+]CCOc2ccccc2)CN1C(=O)CN(C)C1CCC1 ZINC001331996668 1335699746 /nfs/dbraw/zinc/69/97/46/1335699746.db2.gz NEJIYMBGYVHUPJ-DLBZAZTESA-N 1 3 345.487 2.129 10 0 EEAEHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CCO1 ZINC001673342829 1356670525 /nfs/dbraw/zinc/67/05/25/1356670525.db2.gz RGDUCMSCQAJYCR-LJQANCHMSA-N 1 3 345.487 2.145 10 0 EEAEHO Cc1ncoc1CNCC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001565938217 1342482651 /nfs/dbraw/zinc/48/26/51/1342482651.db2.gz HANOGILGHPAGFJ-ZBFHGGJFSA-N 1 3 336.480 2.042 10 0 EEAEHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCC[C@H]1CCOC1 ZINC001567016614 1342679755 /nfs/dbraw/zinc/67/97/55/1342679755.db2.gz JMVFXRJQMXIDSR-SJORKVTESA-N 1 3 339.524 2.162 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1([NH2+]CC2=CCCCC2)CCOCC1 ZINC001569736029 1342936591 /nfs/dbraw/zinc/93/65/91/1342936591.db2.gz NSCGOXVUBHZNQY-UHFFFAOYSA-N 1 3 337.508 2.082 10 0 EEAEHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1=CCN(CCOCC2CC2)CC1 ZINC001571700409 1343281082 /nfs/dbraw/zinc/28/10/82/1343281082.db2.gz BMDLMYJVPXBDKR-IRXDYDNUSA-N 1 3 349.519 2.034 10 0 EEAEHO CCOCCC[NH+]1CCC([C@@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001677334912 1357315950 /nfs/dbraw/zinc/31/59/50/1357315950.db2.gz KDJNFGAQHWNWHA-MRXNPFEDSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H](F)CN(CC)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001660546110 1354486714 /nfs/dbraw/zinc/48/67/14/1354486714.db2.gz SJRHQXNJTOUKNT-MRXNPFEDSA-N 1 3 327.488 2.439 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCN(Cc1ccccn1)C1CC1 ZINC001660680526 1354515331 /nfs/dbraw/zinc/51/53/31/1354515331.db2.gz KFWXGMLYMFQKQP-LJQANCHMSA-N 1 3 344.503 2.425 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCCN(Cc1ccccn1)C1CC1 ZINC001660680526 1354515334 /nfs/dbraw/zinc/51/53/34/1354515334.db2.gz KFWXGMLYMFQKQP-LJQANCHMSA-N 1 3 344.503 2.425 10 0 EEAEHO CC(C)OCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001663493086 1354971441 /nfs/dbraw/zinc/97/14/41/1354971441.db2.gz LLRSYRCXRGGIQB-ZWKOTPCHSA-N 1 3 339.524 2.255 10 0 EEAEHO CC(C)OCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001663493086 1354971442 /nfs/dbraw/zinc/97/14/42/1354971442.db2.gz LLRSYRCXRGGIQB-ZWKOTPCHSA-N 1 3 339.524 2.255 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001666120293 1355458001 /nfs/dbraw/zinc/45/80/01/1355458001.db2.gz RCFKSTHXXNJBOI-ZIAGYGMSSA-N 1 3 337.430 2.497 10 0 EEAEHO C[C@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001668086773 1355866319 /nfs/dbraw/zinc/86/63/19/1355866319.db2.gz JEFCHLFSFZKWKX-CYBMUJFWSA-N 1 3 339.430 2.434 10 0 EEAEHO COc1cccc([C@@H](C)NC/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001668834192 1356016535 /nfs/dbraw/zinc/01/65/35/1356016535.db2.gz SQJXVEGSSGMCJI-AUKPOOJJSA-N 1 3 345.487 2.358 10 0 EEAEHO COc1cccc([C@@H](C)NC/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001668834192 1356016540 /nfs/dbraw/zinc/01/65/40/1356016540.db2.gz SQJXVEGSSGMCJI-AUKPOOJJSA-N 1 3 345.487 2.358 10 0 EEAEHO Cc1cccnc1CNC[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001671368817 1356332110 /nfs/dbraw/zinc/33/21/10/1356332110.db2.gz MNKGCSAVCVZMEC-QGZVFWFLSA-N 1 3 332.492 2.203 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC=C(Cl)Cl)C1 ZINC001671720949 1356402802 /nfs/dbraw/zinc/40/28/02/1356402802.db2.gz WDPIDJWDUPIUQK-WFASDCNBSA-N 1 3 334.291 2.228 10 0 EEAEHO CC1CCN(CC(=O)N2CC[C@](C)(C[NH2+]C/C=C/Cl)C2)CC1 ZINC001671794860 1356416240 /nfs/dbraw/zinc/41/62/40/1356416240.db2.gz HHWUZHRVEGESBT-OPQSBORISA-N 1 3 327.900 2.299 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCc2cccs2)C1 ZINC001672839450 1356597212 /nfs/dbraw/zinc/59/72/12/1356597212.db2.gz MUGHGOSWVFJVRX-NVXWUHKLSA-N 1 3 335.517 2.213 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cc(C)ns2)C1)N(C)C ZINC001672897981 1356609914 /nfs/dbraw/zinc/60/99/14/1356609914.db2.gz YYRKHPNXDRLGPC-GDBMZVCRSA-N 1 3 338.521 2.120 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCOCC)CC1(C)C ZINC001674017472 1356774685 /nfs/dbraw/zinc/77/46/85/1356774685.db2.gz DKHJANTYKNMULW-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCOCC)CC1(C)C ZINC001674017472 1356774689 /nfs/dbraw/zinc/77/46/89/1356774689.db2.gz DKHJANTYKNMULW-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO C[NH+](C)CCn1nccc1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000908442007 785416320 /nfs/dbraw/zinc/41/63/20/785416320.db2.gz HLCVUAPHZQEGMX-UHFFFAOYSA-N 1 3 340.431 2.301 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000844315599 789019579 /nfs/dbraw/zinc/01/95/79/789019579.db2.gz ABOVPFPSCFFXGH-MNEFBYGVSA-N 1 3 343.471 2.470 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000844315599 789019590 /nfs/dbraw/zinc/01/95/90/789019590.db2.gz ABOVPFPSCFFXGH-MNEFBYGVSA-N 1 3 343.471 2.470 10 0 EEAEHO CC(C)[C@H](C(=O)OC[C@@H]1CN(C(C)C)CCO1)[NH+]1CCCCC1 ZINC000789773087 808209548 /nfs/dbraw/zinc/20/95/48/808209548.db2.gz OSAPUQSHIUSEKC-DLBZAZTESA-N 1 3 326.481 2.149 10 0 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334.508 2.126 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000246479254 277391049 /nfs/dbraw/zinc/39/10/49/277391049.db2.gz QRJYLXIXEDILSL-ZWKOTPCHSA-N 1 3 334.508 2.010 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000246479254 277391050 /nfs/dbraw/zinc/39/10/50/277391050.db2.gz QRJYLXIXEDILSL-ZWKOTPCHSA-N 1 3 334.508 2.010 10 0 EEAEHO CN(C)CCOc1cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)ccn1 ZINC000245863288 289171716 /nfs/dbraw/zinc/17/17/16/289171716.db2.gz IETQOXZNXBYQEB-CGTJXYLNSA-N 1 3 333.476 2.315 10 0 EEAEHO CN(CCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)Cc1ccccc1 ZINC000297538814 294273890 /nfs/dbraw/zinc/27/38/90/294273890.db2.gz PULASNBWUCUZLM-NRFANRHFSA-N 1 3 344.547 2.220 10 0 EEAEHO CN(CCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)Cc1ccccc1 ZINC000297538814 294273891 /nfs/dbraw/zinc/27/38/91/294273891.db2.gz PULASNBWUCUZLM-NRFANRHFSA-N 1 3 344.547 2.220 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CN(C)C)c2ccccc2)C[N@@H+]1C1CC1 ZINC000128771474 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466942014 /nfs/dbraw/zinc/94/20/14/466942014.db2.gz ORMUOGJEHGFQJD-CRAIPNDOSA-N 1 3 343.475 2.128 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)CC[C@H]1N1CCN(C)CC1 ZINC000373850981 466942019 /nfs/dbraw/zinc/94/20/19/466942019.db2.gz ORMUOGJEHGFQJD-CRAIPNDOSA-N 1 3 343.475 2.128 10 0 EEAEHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000417952044 467000489 /nfs/dbraw/zinc/00/04/89/467000489.db2.gz XQFQQXGSGSSOAN-KURKYZTESA-N 1 3 332.492 2.447 10 0 EEAEHO C[C@]1(CNC(=O)N[C@H](C[NH3+])C2CC2)CCCN1Cc1ccccc1 ZINC000418048178 467034265 /nfs/dbraw/zinc/03/42/65/467034265.db2.gz VHTRCBWGIDOSHZ-IEBWSBKVSA-N 1 3 330.476 2.078 10 0 EEAEHO C[C@H]([NH3+])c1ccc(CNC(=O)NCCCN2CCCO[C@H](C)C2)cc1 ZINC000418112022 467048550 /nfs/dbraw/zinc/04/85/50/467048550.db2.gz HLBVFDHXLUMGRO-CVEARBPZSA-N 1 3 348.491 2.006 10 0 EEAEHO CC[C@H](C)N[C@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccco1 ZINC000418171763 467065081 /nfs/dbraw/zinc/06/50/81/467065081.db2.gz VOKKTKJZQFULBY-FCEWJHQRSA-N 1 3 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467108321 /nfs/dbraw/zinc/10/83/21/467108321.db2.gz IVZVWSJYFIIRNN-IEBWSBKVSA-N 1 3 331.504 2.467 10 0 EEAEHO Cc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc(C)c1O ZINC000377657960 467108323 /nfs/dbraw/zinc/10/83/23/467108323.db2.gz IVZVWSJYFIIRNN-IEBWSBKVSA-N 1 3 331.504 2.467 10 0 EEAEHO CCN(C(=O)NCC1C[NH2+]C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418489053 467118470 /nfs/dbraw/zinc/11/84/70/467118470.db2.gz NPGPPGUGALUKJV-QAPCUYQASA-N 1 3 330.476 2.073 10 0 EEAEHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000418585489 467132489 /nfs/dbraw/zinc/13/24/89/467132489.db2.gz DIPPXYZSHPXMPW-SJLPKXTDSA-N 1 3 332.492 2.066 10 0 EEAEHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000418660179 467142132 /nfs/dbraw/zinc/14/21/32/467142132.db2.gz YMLKKTLPNJDNJV-UYAOXDASSA-N 1 3 344.503 2.376 10 0 EEAEHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000418660179 467142133 /nfs/dbraw/zinc/14/21/33/467142133.db2.gz YMLKKTLPNJDNJV-UYAOXDASSA-N 1 3 344.503 2.376 10 0 EEAEHO C[C@@H](Cc1ccoc1)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000449114900 467619211 /nfs/dbraw/zinc/61/92/11/467619211.db2.gz FNTHMAJSBSFYQW-HNNXBMFYSA-N 1 3 329.444 2.292 10 0 EEAEHO CN1CC[C@H](NC(=O)NCC[C@H]2CCC[N@H+](C)C2)[C@H]1c1ccccc1 ZINC000458596181 467864546 /nfs/dbraw/zinc/86/45/46/467864546.db2.gz WPEGYCVEGPHCBX-NZSAHSFTSA-N 1 3 344.503 2.463 10 0 EEAEHO CN1CC[C@H](NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)[C@H]1c1ccccc1 ZINC000458596181 467864550 /nfs/dbraw/zinc/86/45/50/467864550.db2.gz WPEGYCVEGPHCBX-NZSAHSFTSA-N 1 3 344.503 2.463 10 0 EEAEHO CCN1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000516926411 468056640 /nfs/dbraw/zinc/05/66/40/468056640.db2.gz DUUJQXCYFAKOTP-QZTJIDSGSA-N 1 3 327.472 2.394 10 0 EEAEHO CCN1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000516926411 468056642 /nfs/dbraw/zinc/05/66/42/468056642.db2.gz DUUJQXCYFAKOTP-QZTJIDSGSA-N 1 3 327.472 2.394 10 0 EEAEHO CC[NH+](CC)CCOc1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC000578546575 468216181 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CC(C)(C)N1CC[C@H]1CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000617007544 469568347 /nfs/dbraw/zinc/56/83/47/469568347.db2.gz VKZALZMOOJZKBG-JKSUJKDBSA-N 1 3 339.549 2.193 10 0 EEAEHO C[NH2+]CCOCCN[C@H]1CCc2c1cc(Br)cc2F ZINC000629529115 469572917 /nfs/dbraw/zinc/57/29/17/469572917.db2.gz RXVQUPFYDRWTCK-AWEZNQCLSA-N 1 3 331.229 2.401 10 0 EEAEHO CC1(C)CC(C[N@@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000629552431 469576700 /nfs/dbraw/zinc/57/67/00/469576700.db2.gz JSKRWGTWJVLISD-MRXNPFEDSA-N 1 3 331.508 2.435 10 0 EEAEHO CC1(C)CC(C[N@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000629552431 469576709 /nfs/dbraw/zinc/57/67/09/469576709.db2.gz JSKRWGTWJVLISD-MRXNPFEDSA-N 1 3 331.508 2.435 10 0 EEAEHO Cc1ccc([C@@H](C[NH2+][C@@H]2CCN(C)C(C)(C)C2)N2CCOCC2)o1 ZINC000623344577 469631112 /nfs/dbraw/zinc/63/11/12/469631112.db2.gz ULYQUZJPXBBMSC-IAGOWNOFSA-N 1 3 335.492 2.424 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1sccc1OC(F)F ZINC000617505772 469704784 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CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000627166399 469831702 /nfs/dbraw/zinc/83/17/02/469831702.db2.gz CZNFTGNWSDBKKI-OKZBNKHCSA-N 1 3 330.476 2.043 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccncc1 ZINC000630880914 470019548 /nfs/dbraw/zinc/01/95/48/470019548.db2.gz WIYZHZIYZZAZNR-WMZOPIPTSA-N 1 3 332.492 2.060 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccncc1 ZINC000630880914 470019550 /nfs/dbraw/zinc/01/95/50/470019550.db2.gz WIYZHZIYZZAZNR-WMZOPIPTSA-N 1 3 332.492 2.060 10 0 EEAEHO [NH3+]CCCOC1CCN(CCc2cccc3c2OC(F)(F)O3)CC1 ZINC000631821763 470185725 /nfs/dbraw/zinc/18/57/25/470185725.db2.gz IIENRAURAOAYDX-UHFFFAOYSA-N 1 3 342.386 2.380 10 0 EEAEHO C[C@@](O)(C[C@@H](O)CNCc1ccccc1C[NH+]1CCCC1)C1CC1 ZINC000634698098 470280882 /nfs/dbraw/zinc/28/08/82/470280882.db2.gz AFSBHGMZZALZLB-WOJBJXKFSA-N 1 3 332.488 2.284 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000649100821 470463458 /nfs/dbraw/zinc/46/34/58/470463458.db2.gz AHPCJLYICBOOIY-QYZOEREBSA-N 1 3 329.488 2.322 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000649100821 470463465 /nfs/dbraw/zinc/46/34/65/470463465.db2.gz AHPCJLYICBOOIY-QYZOEREBSA-N 1 3 329.488 2.322 10 0 EEAEHO O=C(N[C@H]1CCN(CC2CC2)C1)c1ccccc1CC1CC[NH2+]CC1 ZINC000649322927 470545499 /nfs/dbraw/zinc/54/54/99/470545499.db2.gz WVGXGRNDYJILLR-IBGZPJMESA-N 1 3 341.499 2.443 10 0 EEAEHO CN1C[C@H]2[C@@H](CCN2C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000646922605 470777923 /nfs/dbraw/zinc/77/79/23/470777923.db2.gz NMVMGPMDQHGYSR-OALUTQOASA-N 1 3 327.472 2.061 10 0 EEAEHO CC[C@@H]1CN(C(=O)c2ccc(N3CCN(CC)CC3)cc2)CC[C@H]1[NH3+] ZINC000647011649 470805458 /nfs/dbraw/zinc/80/54/58/470805458.db2.gz IMCAZLMUYBTLEY-VQIMIIECSA-N 1 3 344.503 2.028 10 0 EEAEHO CNC(=O)[C@H](CN[C@@H](C)C[C@H](C)[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000647804435 470988576 /nfs/dbraw/zinc/98/85/76/470988576.db2.gz QPKNKWVFCGMPLK-OBJOEFQTSA-N 1 3 345.409 2.326 10 0 EEAEHO CC[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)CO1 ZINC000657313289 471094343 /nfs/dbraw/zinc/09/43/43/471094343.db2.gz SGTOJMGOVJAZNW-PMACEKPBSA-N 1 3 331.504 2.481 10 0 EEAEHO CN(C)CCOc1ccc(CC[NH2+]Cc2cnn3c2CCC3)cc1 ZINC000657350950 471108505 /nfs/dbraw/zinc/10/85/05/471108505.db2.gz HXDDKABGOOFCDW-UHFFFAOYSA-N 1 3 328.460 2.102 10 0 EEAEHO CCn1nc(C)c(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1C ZINC000657594599 471177637 /nfs/dbraw/zinc/17/76/37/471177637.db2.gz IZNHLXFFAJLLIP-LJQANCHMSA-N 1 3 342.487 2.376 10 0 EEAEHO CCn1nc(C)c(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1C ZINC000657594599 471177646 /nfs/dbraw/zinc/17/76/46/471177646.db2.gz IZNHLXFFAJLLIP-LJQANCHMSA-N 1 3 342.487 2.376 10 0 EEAEHO c1cc(N2CCC([NH2+]Cc3ccc(-c4nncnn4)cc3)CC2)ccn1 ZINC000652035412 471211641 /nfs/dbraw/zinc/21/16/41/471211641.db2.gz VPVUCSBNWBFVHV-UHFFFAOYSA-N 1 3 347.426 2.087 10 0 EEAEHO COCCN1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C(C)(C)C1 ZINC000652036766 471211760 /nfs/dbraw/zinc/21/17/60/471211760.db2.gz VLLUHQHQZRACQT-UHFFFAOYSA-N 1 3 349.519 2.170 10 0 EEAEHO C[NH2+]CCCC(=O)N1CCC(NCc2cc(F)cc(F)c2)CC1 ZINC000663503190 471402665 /nfs/dbraw/zinc/40/26/65/471402665.db2.gz GRFIBHDGYIJMCY-UHFFFAOYSA-N 1 3 325.403 2.045 10 0 EEAEHO C[NH2+]CCCC(=O)N1CCC(NCc2ncc(C(C)C)s2)CC1 ZINC000663505799 471403627 /nfs/dbraw/zinc/40/36/27/471403627.db2.gz MKXPRDYJGSPNNH-UHFFFAOYSA-N 1 3 338.521 2.347 10 0 EEAEHO C[C@@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cn2ccccc2n1 ZINC000655713195 471452785 /nfs/dbraw/zinc/45/27/85/471452785.db2.gz YGTNJCGAUADGLE-HZPDHXFCSA-N 1 3 327.476 2.153 10 0 EEAEHO C[NH+](C)CCOc1ccc(CCNCc2cc3n(n2)CCCC3)cc1 ZINC000655729340 471458923 /nfs/dbraw/zinc/45/89/23/471458923.db2.gz JZGPOAZCYFSBSP-UHFFFAOYSA-N 1 3 342.487 2.492 10 0 EEAEHO C[NH+]1CCC(CNCc2cc3n(n2)CCCC3)(N2CCCCC2)CC1 ZINC000655745007 471466366 /nfs/dbraw/zinc/46/63/66/471466366.db2.gz YMALAZDRIAPVBS-UHFFFAOYSA-N 1 3 345.535 2.259 10 0 EEAEHO CN1CCC[C@H](NC(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)C1 ZINC000663775299 471512496 /nfs/dbraw/zinc/51/24/96/471512496.db2.gz WKYSQTKHQQLJGQ-RBUKOAKNSA-N 1 3 344.503 2.039 10 0 EEAEHO CN1CCC[C@H](NC(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000663775299 471512499 /nfs/dbraw/zinc/51/24/99/471512499.db2.gz WKYSQTKHQQLJGQ-RBUKOAKNSA-N 1 3 344.503 2.039 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000654067381 471827047 /nfs/dbraw/zinc/82/70/47/471827047.db2.gz ZFUCKHPRAJVJCW-IZAXUBKRSA-N 1 3 329.488 2.355 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)n1ccc(C)n1 ZINC000667811676 471917010 /nfs/dbraw/zinc/91/70/10/471917010.db2.gz SBZXHPCSYTWJGY-QZTJIDSGSA-N 1 3 349.523 2.017 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)n1ccc(C)n1 ZINC000667811676 471917012 /nfs/dbraw/zinc/91/70/12/471917012.db2.gz SBZXHPCSYTWJGY-QZTJIDSGSA-N 1 3 349.523 2.017 10 0 EEAEHO CC(C)[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(F)(F)F ZINC000665761718 472177055 /nfs/dbraw/zinc/17/70/55/472177055.db2.gz NXOUMDXJZLFJMX-STQMWFEESA-N 1 3 340.434 2.145 10 0 EEAEHO CC(C)[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(F)(F)F ZINC000665761718 472177061 /nfs/dbraw/zinc/17/70/61/472177061.db2.gz NXOUMDXJZLFJMX-STQMWFEESA-N 1 3 340.434 2.145 10 0 EEAEHO O=C(NCc1ccccc1CN1CCCCC1)NC[C@H]1CCC[NH2+]1 ZINC000668864763 472302117 /nfs/dbraw/zinc/30/21/17/472302117.db2.gz RCGYLATZHGVXNM-GOSISDBHSA-N 1 3 330.476 2.224 10 0 EEAEHO CC(C)[NH+](CCCNC(=O)Nc1cnn(CCN(C)C)c1)C(C)C ZINC000673870900 485564805 /nfs/dbraw/zinc/56/48/05/485564805.db2.gz FQWNLOWLGPBCCJ-UHFFFAOYSA-N 1 3 338.500 2.075 10 0 EEAEHO CC[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cnn(C)c1 ZINC000658143666 485571906 /nfs/dbraw/zinc/57/19/06/485571906.db2.gz ZTBKZMRTPUJMPV-MOPGFXCFSA-N 1 3 328.460 2.228 10 0 EEAEHO CC[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cnn(C)c1 ZINC000658143666 485571908 /nfs/dbraw/zinc/57/19/08/485571908.db2.gz ZTBKZMRTPUJMPV-MOPGFXCFSA-N 1 3 328.460 2.228 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCCN2C2CC2)[C@H](C)C1 ZINC000434359612 485714480 /nfs/dbraw/zinc/71/44/80/485714480.db2.gz XDUBBYPPRMZMAN-NJAFHUGGSA-N 1 3 336.524 2.375 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCCN2C2CC2)[C@H](C)C1 ZINC000434359612 485714488 /nfs/dbraw/zinc/71/44/88/485714488.db2.gz XDUBBYPPRMZMAN-NJAFHUGGSA-N 1 3 336.524 2.375 10 0 EEAEHO CN1CCC[C@H](NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000681317189 486208538 /nfs/dbraw/zinc/20/85/38/486208538.db2.gz LIJAELNKTVDCBV-RBUKOAKNSA-N 1 3 344.503 2.290 10 0 EEAEHO CN1CCC[C@H](NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000681317189 486208544 /nfs/dbraw/zinc/20/85/44/486208544.db2.gz LIJAELNKTVDCBV-RBUKOAKNSA-N 1 3 344.503 2.290 10 0 EEAEHO CN1CCC[C@@H](NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000677224843 486397113 /nfs/dbraw/zinc/39/71/13/486397113.db2.gz UAKAPXDLJCBTGO-QGZVFWFLSA-N 1 3 332.492 2.290 10 0 EEAEHO CN1CCC[C@@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000677224843 486397117 /nfs/dbraw/zinc/39/71/17/486397117.db2.gz UAKAPXDLJCBTGO-QGZVFWFLSA-N 1 3 332.492 2.290 10 0 EEAEHO CNCc1cc(Br)cnc1N1CCC(C[NH+](C)C)CC1 ZINC000051484411 536468768 /nfs/dbraw/zinc/46/87/68/536468768.db2.gz ANJGLMNBSYLKIV-UHFFFAOYSA-N 1 3 341.297 2.342 10 0 EEAEHO CCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000183428738 527814775 /nfs/dbraw/zinc/81/47/75/527814775.db2.gz XLKNAFNTNFPRSW-LSDHHAIUSA-N 1 3 347.459 2.122 10 0 EEAEHO CC[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000183428738 527814782 /nfs/dbraw/zinc/81/47/82/527814782.db2.gz XLKNAFNTNFPRSW-LSDHHAIUSA-N 1 3 347.459 2.122 10 0 EEAEHO CC[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000183428738 527814786 /nfs/dbraw/zinc/81/47/86/527814786.db2.gz XLKNAFNTNFPRSW-LSDHHAIUSA-N 1 3 347.459 2.122 10 0 EEAEHO C[N@@H+]1C[C@@]2(C)CN(C[C@@H]3CCN(C(=O)c4ccccc4)C3)C[C@@]2(C)C1 ZINC000931314044 684962249 /nfs/dbraw/zinc/96/22/49/684962249.db2.gz IWKGINOKEYTPDX-DZFGPLHGSA-N 1 3 341.499 2.422 10 0 EEAEHO C[N@H+]1C[C@@]2(C)CN(C[C@@H]3CCN(C(=O)c4ccccc4)C3)C[C@@]2(C)C1 ZINC000931314044 684962251 /nfs/dbraw/zinc/96/22/51/684962251.db2.gz IWKGINOKEYTPDX-DZFGPLHGSA-N 1 3 341.499 2.422 10 0 EEAEHO C[C@H](c1cccc(F)c1)N(C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480865873 1176139030 /nfs/dbraw/zinc/13/90/30/1176139030.db2.gz QXOIZWYBYXDIRZ-RDTXWAMCSA-N 1 3 333.451 2.277 10 0 EEAEHO Cc1nc(C)c(CNCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC001266815316 1177475315 /nfs/dbraw/zinc/47/53/15/1177475315.db2.gz PDFXHJIIUDQNIS-WFASDCNBSA-N 1 3 338.521 2.038 10 0 EEAEHO Cc1nc(C)c(CNCCN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC001266815316 1177475321 /nfs/dbraw/zinc/47/53/21/1177475321.db2.gz PDFXHJIIUDQNIS-WFASDCNBSA-N 1 3 338.521 2.038 10 0 EEAEHO CN(CCNCc1cncc(F)c1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001266897837 1177748045 /nfs/dbraw/zinc/74/80/45/1177748045.db2.gz TYXASKPYQDAIHH-UHFFFAOYSA-N 1 3 344.434 2.144 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2cn(C(C)C)nc2C)CC[N@@H+]1C ZINC001691324587 1177914229 /nfs/dbraw/zinc/91/42/29/1177914229.db2.gz MRTRBMKDQUKCCV-ZWKOTPCHSA-N 1 3 349.523 2.051 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2cn(C(C)C)nc2C)CC[N@H+]1C ZINC001691324587 1177914236 /nfs/dbraw/zinc/91/42/36/1177914236.db2.gz MRTRBMKDQUKCCV-ZWKOTPCHSA-N 1 3 349.523 2.051 10 0 EEAEHO CN(CC[NH2+]Cc1ccc2ncccc2c1)C(=O)CN(C)C1CCC1 ZINC001691347854 1177945009 /nfs/dbraw/zinc/94/50/09/1177945009.db2.gz MOOSRSGHYNSRDP-UHFFFAOYSA-N 1 3 340.471 2.267 10 0 EEAEHO CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCOC(C)C)C1)N(C)C ZINC001692132400 1177982271 /nfs/dbraw/zinc/98/22/71/1177982271.db2.gz WMFYOFSMFAPLTG-SJORKVTESA-N 1 3 327.513 2.112 10 0 EEAEHO COc1cccc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C)c1C ZINC001267459664 1179048585 /nfs/dbraw/zinc/04/85/85/1179048585.db2.gz YFOFGTYPIHDGLD-GOSISDBHSA-N 1 3 335.492 2.138 10 0 EEAEHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCN(C)Cc1ccc2c(c1)COC2 ZINC001480951306 1179118870 /nfs/dbraw/zinc/11/88/70/1179118870.db2.gz WECGGIDDHFYFRM-IYBDPMFKSA-N 1 3 345.487 2.138 10 0 EEAEHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCN(C)Cc1ccc2c(c1)COC2 ZINC001480951306 1179118874 /nfs/dbraw/zinc/11/88/74/1179118874.db2.gz WECGGIDDHFYFRM-IYBDPMFKSA-N 1 3 345.487 2.138 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC(C[N@H+](C)C[C@H]2CCCCO2)CC1 ZINC001481521374 1181638172 /nfs/dbraw/zinc/63/81/72/1181638172.db2.gz BNUKVMQQXQHFJX-GOSISDBHSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC(C[N@@H+](C)C[C@H]2CCCCO2)CC1 ZINC001481521374 1181638175 /nfs/dbraw/zinc/63/81/75/1181638175.db2.gz BNUKVMQQXQHFJX-GOSISDBHSA-N 1 3 339.524 2.066 10 0 EEAEHO COCCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001481753345 1182547578 /nfs/dbraw/zinc/54/75/78/1182547578.db2.gz SOQDWSDZWDZVPX-LJQANCHMSA-N 1 3 347.503 2.321 10 0 EEAEHO COCCCC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001481753345 1182547584 /nfs/dbraw/zinc/54/75/84/1182547584.db2.gz SOQDWSDZWDZVPX-LJQANCHMSA-N 1 3 347.503 2.321 10 0 EEAEHO CCN(CC[NH2+]C[C@H]1CCc2ccccc2C1)C(=O)[C@@H]1CCCN1C ZINC001268439377 1182614845 /nfs/dbraw/zinc/61/48/45/1182614845.db2.gz OKYNGGCUXIDPNF-PXNSSMCTSA-N 1 3 343.515 2.324 10 0 EEAEHO CCN(CCNCc1cccnc1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001268458720 1182738922 /nfs/dbraw/zinc/73/89/22/1182738922.db2.gz QPXJOFWECMEKPK-ZWKOTPCHSA-N 1 3 330.476 2.037 10 0 EEAEHO CCN(CCNCc1cccnc1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001268458720 1182738927 /nfs/dbraw/zinc/73/89/27/1182738927.db2.gz QPXJOFWECMEKPK-ZWKOTPCHSA-N 1 3 330.476 2.037 10 0 EEAEHO CC[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)c1ccc(F)cc1F ZINC001481847617 1182792171 /nfs/dbraw/zinc/79/21/71/1182792171.db2.gz GMHKGAIDQXLMFL-JSGCOSHPSA-N 1 3 327.419 2.462 10 0 EEAEHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001481850740 1182801064 /nfs/dbraw/zinc/80/10/64/1182801064.db2.gz OYJVZFMDAZTGCI-CRAIPNDOSA-N 1 3 347.503 2.330 10 0 EEAEHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001481881334 1182864477 /nfs/dbraw/zinc/86/44/77/1182864477.db2.gz JNPLXRSLZXKLPG-LJQANCHMSA-N 1 3 331.504 2.500 10 0 EEAEHO CCN(CCNCc1cncc(F)c1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001268479637 1182915448 /nfs/dbraw/zinc/91/54/48/1182915448.db2.gz ORGNNPWZPRJNLO-UHFFFAOYSA-N 1 3 338.471 2.137 10 0 EEAEHO CCN(CCNCc1cncc(F)c1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001268479637 1182915453 /nfs/dbraw/zinc/91/54/53/1182915453.db2.gz ORGNNPWZPRJNLO-UHFFFAOYSA-N 1 3 338.471 2.137 10 0 EEAEHO C[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C[NH2+]C/C=C/Cl ZINC001270517585 1185142716 /nfs/dbraw/zinc/14/27/16/1185142716.db2.gz RFEVPCJQYCEETE-CVYKPKQLSA-N 1 3 333.879 2.293 10 0 EEAEHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1c(F)cccc1F)N(C)C ZINC001271012701 1185810870 /nfs/dbraw/zinc/81/08/70/1185810870.db2.gz HXTKAFNVTNHSSN-SUMWQHHRSA-N 1 3 341.446 2.284 10 0 EEAEHO C[C@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)CN1CCCC1 ZINC001271210634 1186084145 /nfs/dbraw/zinc/08/41/45/1186084145.db2.gz YWTUKZIOXWSLKA-MRXNPFEDSA-N 1 3 335.467 2.291 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)s1 ZINC001482843522 1187762736 /nfs/dbraw/zinc/76/27/36/1187762736.db2.gz GQCRPPHTGRVCDC-LRDDRELGSA-N 1 3 340.537 2.331 10 0 EEAEHO C[C@@H](CCNCc1cc(C2CC2)no1)NC(=O)CC1CC[NH+](C)CC1 ZINC001482875860 1187795486 /nfs/dbraw/zinc/79/54/86/1187795486.db2.gz BYFDECWORNRYIF-AWEZNQCLSA-N 1 3 348.491 2.268 10 0 EEAEHO Cc1nc(C)c(CNC/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C)s1 ZINC001483022221 1188011826 /nfs/dbraw/zinc/01/18/26/1188011826.db2.gz SKOITSVBCBSIHL-PTZVLDCSSA-N 1 3 338.521 2.108 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC/C=C/CN[C@@H]2CCc3c2cccc3F)C1 ZINC001483082600 1188445014 /nfs/dbraw/zinc/44/50/14/1188445014.db2.gz SLJMGWDKTORWDT-UCAFPWNGSA-N 1 3 345.462 2.417 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC/C=C/CN[C@@H]2CCc3c2cccc3F)C1 ZINC001483082600 1188445017 /nfs/dbraw/zinc/44/50/17/1188445017.db2.gz SLJMGWDKTORWDT-UCAFPWNGSA-N 1 3 345.462 2.417 10 0 EEAEHO Cc1ncccc1CN[C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001485884185 1193629122 /nfs/dbraw/zinc/62/91/22/1193629122.db2.gz BBNLVFDDHSTEBG-QAPCUYQASA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1ncccc1CN[C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001485884185 1193629123 /nfs/dbraw/zinc/62/91/23/1193629123.db2.gz BBNLVFDDHSTEBG-QAPCUYQASA-N 1 3 332.492 2.201 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001409432591 1189665629 /nfs/dbraw/zinc/66/56/29/1189665629.db2.gz MJJQDJDCUGDTJN-CVEARBPZSA-N 1 3 331.504 2.500 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001483296692 1190319337 /nfs/dbraw/zinc/31/93/37/1190319337.db2.gz OTUVHTRMXFIFEO-RDJZCZTQSA-N 1 3 349.523 2.107 10 0 EEAEHO C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001486147593 1193698534 /nfs/dbraw/zinc/69/85/34/1193698534.db2.gz KFDYRVBMXWQBLT-MJGOQNOKSA-N 1 3 330.476 2.037 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@H](CC[NH2+]Cc3ccsc3)C2)C1 ZINC001272564174 1190879561 /nfs/dbraw/zinc/87/95/61/1190879561.db2.gz FWMWQJAWNOBITK-HOTGVXAUSA-N 1 3 335.517 2.418 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@H](CC[NH2+]Cc3ccccc3F)C2)C1 ZINC001272566091 1190881183 /nfs/dbraw/zinc/88/11/83/1190881183.db2.gz RSVFSWIWMKUKQD-SJORKVTESA-N 1 3 347.478 2.496 10 0 EEAEHO CC[C@@H](F)CNC1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001483740937 1190890508 /nfs/dbraw/zinc/89/05/08/1190890508.db2.gz XKCZLENTNKVANL-GDBMZVCRSA-N 1 3 325.472 2.380 10 0 EEAEHO CC[C@@H](F)CNC1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001483740937 1190890511 /nfs/dbraw/zinc/89/05/11/1190890511.db2.gz XKCZLENTNKVANL-GDBMZVCRSA-N 1 3 325.472 2.380 10 0 EEAEHO CC(C)(C(=O)NCC1(NCc2ccc(F)cc2)CC1)[NH+]1CCCC1 ZINC001483757319 1190983050 /nfs/dbraw/zinc/98/30/50/1190983050.db2.gz VURFVHMCYBLVFN-UHFFFAOYSA-N 1 3 333.451 2.439 10 0 EEAEHO CC(C)(C(=O)NCC1([NH2+]Cc2ccc(F)cc2)CC1)N1CCCC1 ZINC001483757319 1190983053 /nfs/dbraw/zinc/98/30/53/1190983053.db2.gz VURFVHMCYBLVFN-UHFFFAOYSA-N 1 3 333.451 2.439 10 0 EEAEHO Cc1ccc(F)cc1CNC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001483784834 1191027113 /nfs/dbraw/zinc/02/71/13/1191027113.db2.gz VDBBYFRFLPAFMU-HNNXBMFYSA-N 1 3 333.451 2.214 10 0 EEAEHO Cc1ccc(F)cc1CNC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001483784834 1191027116 /nfs/dbraw/zinc/02/71/16/1191027116.db2.gz VDBBYFRFLPAFMU-HNNXBMFYSA-N 1 3 333.451 2.214 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001483801388 1191043188 /nfs/dbraw/zinc/04/31/88/1191043188.db2.gz IKSHOUDIGZAWDG-SJLPKXTDSA-N 1 3 348.491 2.082 10 0 EEAEHO CCOCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001483801388 1191043192 /nfs/dbraw/zinc/04/31/92/1191043192.db2.gz IKSHOUDIGZAWDG-SJLPKXTDSA-N 1 3 348.491 2.082 10 0 EEAEHO Cc1cc(CNCC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)on1 ZINC001484532856 1191401172 /nfs/dbraw/zinc/40/11/72/1191401172.db2.gz KSVIIFCAUJTBOZ-INIZCTEOSA-N 1 3 348.491 2.186 10 0 EEAEHO CC(C)CCOCC[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001484927903 1191573838 /nfs/dbraw/zinc/57/38/38/1191573838.db2.gz ZAWQNKFXZDLRQI-UHFFFAOYSA-N 1 3 339.524 2.116 10 0 EEAEHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC[C@@H]1CCCCO1)N(C)C ZINC001485037848 1191627383 /nfs/dbraw/zinc/62/73/83/1191627383.db2.gz JEUCXEWUBZMRRX-OKZBNKHCSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1ccc(F)c(CN[C@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001485192210 1191686900 /nfs/dbraw/zinc/68/69/00/1191686900.db2.gz ZJAZKFHHAQFFPK-CABCVRRESA-N 1 3 335.467 2.459 10 0 EEAEHO CC[C@@H](C(=O)NC1(C[NH2+]C[C@H]2CCCOC2)CCCCC1)N(C)C ZINC001485455481 1191791852 /nfs/dbraw/zinc/79/18/52/1191791852.db2.gz MJLJYVUAUKCSKF-SJORKVTESA-N 1 3 339.524 2.162 10 0 EEAEHO CCOCC[NH2+][C@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CC1(C)C ZINC001486244920 1193770637 /nfs/dbraw/zinc/77/06/37/1193770637.db2.gz PKEDVVPYRUQCEV-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(CC[N@H+](C)C[C@H]1CCO[C@@H](C)C1)C(=O)CN1CCCC1 ZINC001486379908 1193890114 /nfs/dbraw/zinc/89/01/14/1193890114.db2.gz SQHPGRJHDLSGTN-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(CC[N@@H+](C)C[C@H]1CCO[C@@H](C)C1)C(=O)CN1CCCC1 ZINC001486379908 1193890119 /nfs/dbraw/zinc/89/01/19/1193890119.db2.gz SQHPGRJHDLSGTN-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC2(C3CC[NH+](CCCF)CC3)CC2)C1 ZINC001486491098 1194003061 /nfs/dbraw/zinc/00/30/61/1194003061.db2.gz OHEHCRLNVBXLLS-HNNXBMFYSA-N 1 3 325.472 2.049 10 0 EEAEHO C[C@H](CCNCc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273019038 1194326302 /nfs/dbraw/zinc/32/63/02/1194326302.db2.gz RGLNQFLTQGFJRV-UONOGXRCSA-N 1 3 339.430 2.291 10 0 EEAEHO C[C@H](CCNCc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001273019038 1194326305 /nfs/dbraw/zinc/32/63/05/1194326305.db2.gz RGLNQFLTQGFJRV-UONOGXRCSA-N 1 3 339.430 2.291 10 0 EEAEHO CC1CC[NH+](CC[C@H]2CCCN2C(=O)NC[C@@H]2CCCN2C)CC1 ZINC001414706579 1197206861 /nfs/dbraw/zinc/20/68/61/1197206861.db2.gz YKHGLRIRGZZWSB-MSOLQXFVSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N(C)CCCCCC[NH3+] ZINC000872154927 1198062418 /nfs/dbraw/zinc/06/24/18/1198062418.db2.gz FLCJZWDWUCJVOJ-WBVHZDCISA-N 1 3 333.476 2.466 10 0 EEAEHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)CC(C)(C)O)[C@H]1c1cccs1 ZINC000872204607 1198084321 /nfs/dbraw/zinc/08/43/21/1198084321.db2.gz YXVXFHNVIHBEFL-YCPHGPKFSA-N 1 3 326.506 2.243 10 0 EEAEHO C[N@H+]1CCC[C@H](CNC[C@@H](O)CC(C)(C)O)[C@H]1c1cccs1 ZINC000872204607 1198084329 /nfs/dbraw/zinc/08/43/29/1198084329.db2.gz YXVXFHNVIHBEFL-YCPHGPKFSA-N 1 3 326.506 2.243 10 0 EEAEHO C[C@@H]1[C@@H](NCc2ccccc2OC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001410869945 1198515697 /nfs/dbraw/zinc/51/56/97/1198515697.db2.gz WYEGVONFXZGZPB-QAPCUYQASA-N 1 3 345.487 2.259 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)CCC23CC(C2)C[NH2+]3)CN1Cc1ccccc1 ZINC000870907575 1200944286 /nfs/dbraw/zinc/94/42/86/1200944286.db2.gz ZBNREWPKCWECIN-FTSJTYPLSA-N 1 3 327.472 2.298 10 0 EEAEHO CC[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)N1CCc2ccccc2C1 ZINC000870918802 1200952836 /nfs/dbraw/zinc/95/28/36/1200952836.db2.gz QDLAWMZSMHERFK-RMJJICAUSA-N 1 3 327.472 2.067 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868479235 1201819391 /nfs/dbraw/zinc/81/93/91/1201819391.db2.gz TYBBKFFGNXPGSR-NEWSRXKRSA-N 1 3 344.503 2.243 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868479235 1201819392 /nfs/dbraw/zinc/81/93/92/1201819392.db2.gz TYBBKFFGNXPGSR-NEWSRXKRSA-N 1 3 344.503 2.243 10 0 EEAEHO CCCC[NH2+]CC1(NC(=O)c2cccc(CN(C)C)c2)CCOCC1 ZINC001274020797 1204328564 /nfs/dbraw/zinc/32/85/64/1204328564.db2.gz HWHHXMNOBADJRG-UHFFFAOYSA-N 1 3 347.503 2.417 10 0 EEAEHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNCc1cccnc1C ZINC001274608682 1205095704 /nfs/dbraw/zinc/09/57/04/1205095704.db2.gz HCIVVVDROUDSCV-DUMMIQTOSA-N 1 3 330.476 2.026 10 0 EEAEHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNCc1cccnc1C ZINC001274608682 1205095709 /nfs/dbraw/zinc/09/57/09/1205095709.db2.gz HCIVVVDROUDSCV-DUMMIQTOSA-N 1 3 330.476 2.026 10 0 EEAEHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CCC(F)(F)F)N(C)C ZINC001275684894 1205483841 /nfs/dbraw/zinc/48/38/41/1205483841.db2.gz KPDCUEWCDAKZSH-GFCCVEGCSA-N 1 3 325.419 2.353 10 0 EEAEHO CC1CCN(CC(=O)N(C)CCC[NH2+]CCc2cccs2)CC1 ZINC001276297581 1205873134 /nfs/dbraw/zinc/87/31/34/1205873134.db2.gz LZMRWQNHAGRVLQ-UHFFFAOYSA-N 1 3 337.533 2.461 10 0 EEAEHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CO[C@@H](C)[C@@H]3C)cc2)CC1 ZINC000924693419 1206019556 /nfs/dbraw/zinc/01/95/56/1206019556.db2.gz ZCPLRDJNNNEVSO-ABSDTBQOSA-N 1 3 331.504 2.337 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000925328279 1206097485 /nfs/dbraw/zinc/09/74/85/1206097485.db2.gz VUXWJPVEJGEJJB-BHIYHBOVSA-N 1 3 344.503 2.243 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000925328279 1206097488 /nfs/dbraw/zinc/09/74/88/1206097488.db2.gz VUXWJPVEJGEJJB-BHIYHBOVSA-N 1 3 344.503 2.243 10 0 EEAEHO C[C@H](CN1CCN(c2ccccn2)CC1)N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925505613 1206121029 /nfs/dbraw/zinc/12/10/29/1206121029.db2.gz QFNDZVPDZCOBOZ-KURKYZTESA-N 1 3 345.535 2.088 10 0 EEAEHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CSCCN2Cc2ccccc2)C12CCC2 ZINC000925650137 1206139761 /nfs/dbraw/zinc/13/97/61/1206139761.db2.gz MSMUZJHLVZVVJY-KURKYZTESA-N 1 3 331.529 2.464 10 0 EEAEHO O=C1O[C@H](CN[C@@H]2CCCOc3ccccc32)CC12CC[NH2+]CC2 ZINC000925856819 1206161617 /nfs/dbraw/zinc/16/16/17/1206161617.db2.gz XKGJNCJENLMVIA-GOEBONIOSA-N 1 3 330.428 2.175 10 0 EEAEHO CC[C@H](CNCc1cnnn1[C@@H]1CCC[NH2+]C1)Oc1ccccc1C ZINC000903923486 1242516759 /nfs/dbraw/zinc/51/67/59/1242516759.db2.gz VIYDUXXTWHVCQF-SJLPKXTDSA-N 1 3 343.475 2.458 10 0 EEAEHO CCOCc1ccccc1CNC[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903925561 1242521157 /nfs/dbraw/zinc/52/11/57/1242521157.db2.gz NYNBGKMRGNOFOI-INIZCTEOSA-N 1 3 330.476 2.172 10 0 EEAEHO CC(C)c1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)n1 ZINC001490958069 1258509930 /nfs/dbraw/zinc/50/99/30/1258509930.db2.gz MVBMNLYSABLBHN-QAQDUYKDSA-N 1 3 332.492 2.282 10 0 EEAEHO O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H](NCc2cncs2)C1 ZINC001491085793 1258651317 /nfs/dbraw/zinc/65/13/17/1258651317.db2.gz RGLFSYIITXXHTQ-GASCZTMLSA-N 1 3 336.505 2.146 10 0 EEAEHO CC(C)[N@H+](C)CCOCCN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001489211885 1290450226 /nfs/dbraw/zinc/45/02/26/1290450226.db2.gz LJSJUDWAEDXRQZ-UHFFFAOYSA-N 1 3 327.513 2.066 10 0 EEAEHO CC(C)[N@@H+](C)CCOCCN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001489211885 1290450233 /nfs/dbraw/zinc/45/02/33/1290450233.db2.gz LJSJUDWAEDXRQZ-UHFFFAOYSA-N 1 3 327.513 2.066 10 0 EEAEHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC001489240210 1290490681 /nfs/dbraw/zinc/49/06/81/1290490681.db2.gz LJFVHYVFJMAKEP-OAHLLOKOSA-N 1 3 338.521 2.346 10 0 EEAEHO CC[C@@H](C(=O)NCCC[N@H+](C)Cc1ccc2cc[nH]c2c1)N(C)C ZINC001490250637 1291066384 /nfs/dbraw/zinc/06/63/84/1291066384.db2.gz NLZMCCTYVDILQL-SFHVURJKSA-N 1 3 330.476 2.446 10 0 EEAEHO CC[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccc2cc[nH]c2c1)N(C)C ZINC001490250637 1291066400 /nfs/dbraw/zinc/06/64/00/1291066400.db2.gz NLZMCCTYVDILQL-SFHVURJKSA-N 1 3 330.476 2.446 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CCCCCF)C1 ZINC001490549770 1291422629 /nfs/dbraw/zinc/42/26/29/1291422629.db2.gz GLTRTZZONLAPAA-IRXDYDNUSA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CCCCCF)C1 ZINC001490549770 1291422632 /nfs/dbraw/zinc/42/26/32/1291422632.db2.gz GLTRTZZONLAPAA-IRXDYDNUSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852884546 1292224194 /nfs/dbraw/zinc/22/41/94/1292224194.db2.gz KTBDOFIMZBVTGN-QGZVFWFLSA-N 1 3 327.472 2.419 10 0 EEAEHO O=C1O[C@@]2(CN1CN(CCC1CC1)CC1CC1)C[NH+]1CCC2CC1 ZINC000853607685 1292424869 /nfs/dbraw/zinc/42/48/69/1292424869.db2.gz SPRHKZGKBVBZNQ-LJQANCHMSA-N 1 3 333.476 2.373 10 0 EEAEHO CCN(C)Cc1cc(O[C@H]2CC[N@H+](CCn3ccnc3C)C2)ccn1 ZINC000856584989 1293572242 /nfs/dbraw/zinc/57/22/42/1293572242.db2.gz WOWGTKDKXCDBKL-IBGZPJMESA-N 1 3 343.475 2.192 10 0 EEAEHO CCN(C)Cc1cc(O[C@H]2CC[N@@H+](CCn3ccnc3C)C2)ccn1 ZINC000856584989 1293572248 /nfs/dbraw/zinc/57/22/48/1293572248.db2.gz WOWGTKDKXCDBKL-IBGZPJMESA-N 1 3 343.475 2.192 10 0 EEAEHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)ccc1OC ZINC000858493695 1294132597 /nfs/dbraw/zinc/13/25/97/1294132597.db2.gz DQUGNUNVIXOOPA-FRFSOERESA-N 1 3 333.476 2.452 10 0 EEAEHO CC[N@@H+]1CC[C@@H](NCCOCCN(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000858500306 1294135657 /nfs/dbraw/zinc/13/56/57/1294135657.db2.gz AFRDFFODTHGXSG-HZPDHXFCSA-N 1 3 343.512 2.190 10 0 EEAEHO CC[N@H+]1CC[C@@H](NCCOCCN(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000858500306 1294135661 /nfs/dbraw/zinc/13/56/61/1294135661.db2.gz AFRDFFODTHGXSG-HZPDHXFCSA-N 1 3 343.512 2.190 10 0 EEAEHO CS[C@@H]1CC[C@@H](N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC001771789542 1296363053 /nfs/dbraw/zinc/36/30/53/1296363053.db2.gz WZJJLIYSNUEKBR-ARFHVFGLSA-N 1 3 344.569 2.184 10 0 EEAEHO CS[C@@H]1CC[C@@H](N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC001771789542 1296363064 /nfs/dbraw/zinc/36/30/64/1296363064.db2.gz WZJJLIYSNUEKBR-ARFHVFGLSA-N 1 3 344.569 2.184 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cncn1C ZINC001277314249 1302341616 /nfs/dbraw/zinc/34/16/16/1302341616.db2.gz OWFVVGIUHJDCNV-SJLPKXTDSA-N 1 3 349.523 2.058 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCCCOC)C2 ZINC001277473558 1303560634 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CCOCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001266120412 1323691193 /nfs/dbraw/zinc/69/11/93/1323691193.db2.gz YMLNGMQRVORNOZ-ROUUACIJSA-N 1 3 339.524 2.210 10 0 EEAEHO CCOCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001266120412 1323691196 /nfs/dbraw/zinc/69/11/96/1323691196.db2.gz YMLNGMQRVORNOZ-ROUUACIJSA-N 1 3 339.524 2.210 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NCC2=CCN(Cc3ccccc3)CC2)C1 ZINC001284976408 1326805495 /nfs/dbraw/zinc/80/54/95/1326805495.db2.gz HGTNULYXYYJASM-LJQANCHMSA-N 1 3 327.472 2.277 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NCC2=CCN(Cc3ccccc3)CC2)C1 ZINC001284976408 1326805497 /nfs/dbraw/zinc/80/54/97/1326805497.db2.gz HGTNULYXYYJASM-LJQANCHMSA-N 1 3 327.472 2.277 10 0 EEAEHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1cn(C(C)C)nc1C ZINC001316898092 1331963900 /nfs/dbraw/zinc/96/39/00/1331963900.db2.gz CIZUXULIXYTOOH-GOSISDBHSA-N 1 3 349.523 2.195 10 0 EEAEHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1cn(C(C)C)nc1C ZINC001316898092 1331963904 /nfs/dbraw/zinc/96/39/04/1331963904.db2.gz CIZUXULIXYTOOH-GOSISDBHSA-N 1 3 349.523 2.195 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOC2CCC2)C1 ZINC001317121443 1332087227 /nfs/dbraw/zinc/08/72/27/1332087227.db2.gz LZNQWWQMFZGVAB-SOLBZPMBSA-N 1 3 337.508 2.055 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@@H](C[NH2+]C/C=C\Cl)C2)C1 ZINC001317339114 1332185354 /nfs/dbraw/zinc/18/53/54/1332185354.db2.gz QIZFPHWKJSTTHP-DXSZNWSTSA-N 1 3 345.890 2.390 10 0 EEAEHO CC(C)(C(=O)N[C@H]1CCC[C@H]1C[NH2+]CCCF)N1CCCCC1 ZINC001320135889 1332835687 /nfs/dbraw/zinc/83/56/87/1332835687.db2.gz XZCSPSGYURIBJE-HOTGVXAUSA-N 1 3 327.488 2.485 10 0 EEAEHO C[C@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)CN1CC[C@@H](C)C1 ZINC001320547968 1332907595 /nfs/dbraw/zinc/90/75/95/1332907595.db2.gz IGOAJNNOIATHAQ-HZPDHXFCSA-N 1 3 345.487 2.043 10 0 EEAEHO Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)N(C)C ZINC001321107323 1333020908 /nfs/dbraw/zinc/02/09/08/1333020908.db2.gz NIOHDDNPBJZRAW-DKFQHHCZSA-N 1 3 335.467 2.482 10 0 EEAEHO CCOCCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001328568339 1334481321 /nfs/dbraw/zinc/48/13/21/1334481321.db2.gz VJORMDFTZDKQGD-SFHVURJKSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001328568339 1334481316 /nfs/dbraw/zinc/48/13/16/1334481316.db2.gz VJORMDFTZDKQGD-SFHVURJKSA-N 1 3 339.524 2.068 10 0 EEAEHO CNC(=O)[C@H]1CCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001434475600 1341852462 /nfs/dbraw/zinc/85/24/62/1341852462.db2.gz MTQPTHZCGDBPTE-FQEVSTJZSA-N 1 3 343.515 2.399 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@@H+]2CCCc2ccccc2)C1 ZINC001436322247 1342026568 /nfs/dbraw/zinc/02/65/68/1342026568.db2.gz NDDWBOZXNPOFLF-UYAOXDASSA-N 1 3 343.515 2.494 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@H+]2CCCc2ccccc2)C1 ZINC001436322247 1342026571 /nfs/dbraw/zinc/02/65/71/1342026571.db2.gz NDDWBOZXNPOFLF-UYAOXDASSA-N 1 3 343.515 2.494 10 0 EEAEHO CN(C(=O)Cc1c[nH]cn1)C1CCC([NH2+]CCC[C@@H]2CCOC2)CC1 ZINC001570664165 1343098771 /nfs/dbraw/zinc/09/87/71/1343098771.db2.gz BGQACJNUQFBDFI-KLHKWILBSA-N 1 3 348.491 2.128 10 0 EEAEHO C[C@H]1C[C@H]([NH2+]CCCc2ccccc2)CN1C(=O)Cc1c[nH]cn1 ZINC001676762825 1357195713 /nfs/dbraw/zinc/19/57/13/1357195713.db2.gz OKSBRHAJWXRYAX-YJBOKZPZSA-N 1 3 326.444 2.164 10 0 EEAEHO CCOCCC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC001677014046 1357262731 /nfs/dbraw/zinc/26/27/31/1357262731.db2.gz VECHETSYLJDAKD-INIZCTEOSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)OCCC[NH2+]CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001649441879 1353507337 /nfs/dbraw/zinc/50/73/37/1353507337.db2.gz YYABXBMWMHLNDJ-SFHVURJKSA-N 1 3 345.503 2.062 10 0 EEAEHO COCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001656098440 1354200842 /nfs/dbraw/zinc/20/08/42/1354200842.db2.gz UXKRDCINXIEUIQ-QZTJIDSGSA-N 1 3 339.524 2.210 10 0 EEAEHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1CC[NH2+]Cc1cccnc1 ZINC001656447835 1354238173 /nfs/dbraw/zinc/23/81/73/1354238173.db2.gz KHQYULAKTFKBHK-YJBOKZPZSA-N 1 3 341.459 2.154 10 0 EEAEHO COCCCC[NH2+][C@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1 ZINC001656889622 1354294508 /nfs/dbraw/zinc/29/45/08/1354294508.db2.gz NAOBAABNHDLZLR-KRWDZBQOSA-N 1 3 339.524 2.258 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)Cc2cnccc2C)CC[N@@H+]1C ZINC001660529393 1354482362 /nfs/dbraw/zinc/48/23/62/1354482362.db2.gz USLHSSBPQKEZCC-RBUKOAKNSA-N 1 3 346.519 2.449 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)Cc2cnccc2C)CC[N@H+]1C ZINC001660529393 1354482364 /nfs/dbraw/zinc/48/23/64/1354482364.db2.gz USLHSSBPQKEZCC-RBUKOAKNSA-N 1 3 346.519 2.449 10 0 EEAEHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCOCC1)N(C)C ZINC001663071756 1354907441 /nfs/dbraw/zinc/90/74/41/1354907441.db2.gz INZVGAZAXRXWNO-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@H+]1CC1CCOCC1)N(C)C ZINC001663071756 1354907444 /nfs/dbraw/zinc/90/74/44/1354907444.db2.gz INZVGAZAXRXWNO-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO CCCN(C)CC(=O)N1CCC(CC[NH2+]Cc2conc2C)CC1 ZINC001666259681 1355498516 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CC(C)(C(=O)N[C@H]1CC[C@H](C[NH2+]CCCF)CC1)N1CCCC1 ZINC001672975059 1356625003 /nfs/dbraw/zinc/62/50/03/1356625003.db2.gz VRIMOPACOBCRRD-WKILWMFISA-N 1 3 327.488 2.485 10 0 EEAEHO C[C@@H](CCC[NH2+]Cc1cncn1C)NC(=O)C(C)(C)N1CCCCC1 ZINC001675899984 1357065865 /nfs/dbraw/zinc/06/58/65/1357065865.db2.gz ZNTSMQVONVNGEB-INIZCTEOSA-N 1 3 349.523 2.059 10 0 EEAEHO CN(CC(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1)C1CCC1 ZINC001699749640 1405465456 /nfs/dbraw/zinc/46/54/56/1405465456.db2.gz MYVWPQAIHSRKSE-IBGZPJMESA-N 1 3 329.488 2.294 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N2CC3CCC2(C[NH3+])CC3)cc(Cl)n1 ZINC000846680084 790380841 /nfs/dbraw/zinc/38/08/41/790380841.db2.gz OKHSRMJGJDEWNH-TVIZTDCDSA-N 1 3 336.867 2.163 10 0 EEAEHO FC(F)(F)[C@@H]1CCC[C@H](CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)O1 ZINC000925835368 779060293 /nfs/dbraw/zinc/06/02/93/779060293.db2.gz SHWVXTLYGDCVHG-KHMAMNHCSA-N 1 3 336.398 2.233 10 0 EEAEHO Cc1ccccc1[C@H](O)C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000819174752 785447311 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C[C@@H]1CN(CC(=O)N(C)[C@H]2CCCc3ccccc32)CC[C@@H]1C[NH3+] ZINC000923502043 789687658 /nfs/dbraw/zinc/68/76/58/789687658.db2.gz WMKJJLIMNOXOAT-SUMDDJOVSA-N 1 3 329.488 2.439 10 0 EEAEHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1)N(C)C ZINC001436895587 1088548286 /nfs/dbraw/zinc/54/82/86/1088548286.db2.gz AZYFENOTGGLKQM-ZQDZILKHSA-N 1 3 331.451 2.389 10 0 EEAEHO Cc1ncsc1C[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001437055760 1088952173 /nfs/dbraw/zinc/95/21/73/1088952173.db2.gz FUOBVZIGHKTUHM-HNNXBMFYSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1cccnc1CN[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001437262813 1089408560 /nfs/dbraw/zinc/40/85/60/1089408560.db2.gz GMDWTYLJDKLBHW-AEFFLSMTSA-N 1 3 332.492 2.105 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)NCc1nc(C)cs1 ZINC001437379266 1089625905 /nfs/dbraw/zinc/62/59/05/1089625905.db2.gz GQHODYWZBQSVQZ-UKRRQHHQSA-N 1 3 338.521 2.310 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)NCc1nc(C)cs1 ZINC001437379266 1089625916 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EEAEHO COc1cccc(CNC2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)c1C ZINC001446268204 1092414503 /nfs/dbraw/zinc/41/45/03/1092414503.db2.gz QRVFZYZBSWWQLX-MRXNPFEDSA-N 1 3 345.487 2.084 10 0 EEAEHO C[NH+]1CCC(CC(=O)NC[C@@H]2CCN2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001439562443 1092439505 /nfs/dbraw/zinc/43/95/05/1092439505.db2.gz RKIUEGMBSWRCLH-CVEARBPZSA-N 1 3 343.462 2.344 10 0 EEAEHO COC[C@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001439935505 1093026547 /nfs/dbraw/zinc/02/65/47/1093026547.db2.gz DOKOFZYVVPLBQP-LPHOPBHVSA-N 1 3 339.524 2.114 10 0 EEAEHO COC[C@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001439935505 1093026548 /nfs/dbraw/zinc/02/65/48/1093026548.db2.gz DOKOFZYVVPLBQP-LPHOPBHVSA-N 1 3 339.524 2.114 10 0 EEAEHO CN(C[C@H]1CCN1CCc1ccccc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001440267409 1093378237 /nfs/dbraw/zinc/37/82/37/1093378237.db2.gz TYMHHXTUNPSNJN-RBUKOAKNSA-N 1 3 329.488 2.104 10 0 EEAEHO CN(C[C@H]1CCN1CCc1ccccc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001440267409 1093378245 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CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCc1cncs1 ZINC001448698366 1093762604 /nfs/dbraw/zinc/76/26/04/1093762604.db2.gz MUAVTQOUKUJNIQ-HOCLYGCPSA-N 1 3 338.521 2.200 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCc1cncs1 ZINC001448698366 1093762607 /nfs/dbraw/zinc/76/26/07/1093762607.db2.gz MUAVTQOUKUJNIQ-HOCLYGCPSA-N 1 3 338.521 2.200 10 0 EEAEHO Cc1cccnc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)C(C)C ZINC001441457381 1095108996 /nfs/dbraw/zinc/10/89/96/1095108996.db2.gz CMFNKWBOYVYHMA-SFHVURJKSA-N 1 3 332.492 2.057 10 0 EEAEHO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)CC(C)(C)C)C2)sn1 ZINC001441506450 1095193104 /nfs/dbraw/zinc/19/31/04/1095193104.db2.gz HJKAJLQTFKTFKC-OKILXGFUSA-N 1 3 338.521 2.166 10 0 EEAEHO COc1cccc([C@H](C)[NH2+][C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001441844044 1095921815 /nfs/dbraw/zinc/92/18/15/1095921815.db2.gz QFYPQELOIDMUMJ-CABCVRRESA-N 1 3 333.476 2.335 10 0 EEAEHO COc1cccc([C@H](C)[NH2+][C@@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001441844046 1095922192 /nfs/dbraw/zinc/92/21/92/1095922192.db2.gz QFYPQELOIDMUMJ-GJZGRUSLSA-N 1 3 333.476 2.335 10 0 EEAEHO C[C@H](NC(=O)CN1CC[C@H](C)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001442222199 1096518187 /nfs/dbraw/zinc/51/81/87/1096518187.db2.gz UJYVJRKPBWWHJZ-KBPBESRZSA-N 1 3 349.441 2.497 10 0 EEAEHO CC(C)[C@@H](C(=O)NCCN(C)CCc1cccs1)[NH+]1CCCC1 ZINC001442622353 1096991691 /nfs/dbraw/zinc/99/16/91/1096991691.db2.gz TVPDDUMNEPUDSW-KRWDZBQOSA-N 1 3 337.533 2.459 10 0 EEAEHO CN(CC(=O)NCC1C[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1)CC(C)(C)C ZINC001443609592 1098104908 /nfs/dbraw/zinc/10/49/08/1098104908.db2.gz ANBUPSPJFWDEEW-NXHRZFHOSA-N 1 3 335.536 2.449 10 0 EEAEHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1cnc(C)s1 ZINC001443979220 1098495839 /nfs/dbraw/zinc/49/58/39/1098495839.db2.gz XNGYZRLHNUKOMD-QEJZJMRPSA-N 1 3 338.521 2.166 10 0 EEAEHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1cnc(C)s1 ZINC001443979220 1098495843 /nfs/dbraw/zinc/49/58/43/1098495843.db2.gz XNGYZRLHNUKOMD-QEJZJMRPSA-N 1 3 338.521 2.166 10 0 EEAEHO CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCOCC2CC2)C1)N(C)C ZINC001479688062 1098748447 /nfs/dbraw/zinc/74/84/47/1098748447.db2.gz ONNHZCBPXFRZSC-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ncc(CN[C@H](C)[C@H]2CCCCN2C(=O)CC[NH+](C)C)s1 ZINC001479833299 1099116036 /nfs/dbraw/zinc/11/60/36/1099116036.db2.gz ZPBVJAQQNBYQRS-CZUORRHYSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1ccncc1CN1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001480383563 1100177401 /nfs/dbraw/zinc/17/74/01/1100177401.db2.gz QAVUIFIQUUXALL-DLBZAZTESA-N 1 3 332.492 2.058 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCc2cnccc2C)C1 ZINC001480523430 1100353891 /nfs/dbraw/zinc/35/38/91/1100353891.db2.gz YDSWGCLFPNNDID-SJORKVTESA-N 1 3 332.492 2.106 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCc2cnccc2C)C1 ZINC001480523430 1100353899 /nfs/dbraw/zinc/35/38/99/1100353899.db2.gz YDSWGCLFPNNDID-SJORKVTESA-N 1 3 332.492 2.106 10 0 EEAEHO CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ocnc1C)N(C)C ZINC001496412738 1101005380 /nfs/dbraw/zinc/00/53/80/1101005380.db2.gz WMFTZFGUUZOCDK-CVEARBPZSA-N 1 3 336.480 2.184 10 0 EEAEHO Cc1nocc1CNCC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001496415373 1101009071 /nfs/dbraw/zinc/00/90/71/1101009071.db2.gz TWMQKECAVQPQEQ-FUHWJXTLSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1nocc1CNCC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001496415373 1101009076 /nfs/dbraw/zinc/00/90/76/1101009076.db2.gz TWMQKECAVQPQEQ-FUHWJXTLSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncccc1C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001496465069 1101056533 /nfs/dbraw/zinc/05/65/33/1101056533.db2.gz WWMXOSPFPBDZIZ-IEBWSBKVSA-N 1 3 346.519 2.447 10 0 EEAEHO CC1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCN(C/C=C\Cl)CC1 ZINC001446630545 1101139540 /nfs/dbraw/zinc/13/95/40/1101139540.db2.gz UQWSINHJPDUZNY-AKDFZNLCSA-N 1 3 339.911 2.299 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CCC(CC[NH2+]Cc3ccccn3)CC2)C1 ZINC001495430637 1101149307 /nfs/dbraw/zinc/14/93/07/1101149307.db2.gz UXCAJUBUKGQNBT-KRWDZBQOSA-N 1 3 344.503 2.142 10 0 EEAEHO Cc1cnc([C@@H](C)NCC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)cn1 ZINC001447076976 1101937618 /nfs/dbraw/zinc/93/76/18/1101937618.db2.gz JEFQLOHDTRPCKF-IAGOWNOFSA-N 1 3 347.507 2.016 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+]Cc1ccc(CF)cc1 ZINC001497318132 1102313155 /nfs/dbraw/zinc/31/31/55/1102313155.db2.gz RCHDROSBMJNRIB-CYBMUJFWSA-N 1 3 332.423 2.415 10 0 EEAEHO CCN(CCNCc1cncc(F)c1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001497501108 1102590440 /nfs/dbraw/zinc/59/04/40/1102590440.db2.gz OALREQUFFBZRGJ-HUUCEWRRSA-N 1 3 336.455 2.032 10 0 EEAEHO COc1cccc(CNC/C=C/CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1C ZINC001497731051 1102980665 /nfs/dbraw/zinc/98/06/65/1102980665.db2.gz MBKHITWMRHGFDR-BDUNBXCCSA-N 1 3 345.487 2.107 10 0 EEAEHO COc1cccc(CNC/C=C/CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1C ZINC001497731051 1102980672 /nfs/dbraw/zinc/98/06/72/1102980672.db2.gz MBKHITWMRHGFDR-BDUNBXCCSA-N 1 3 345.487 2.107 10 0 EEAEHO C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2[C@H]1CCCc2ccccc21 ZINC001494668420 1104254971 /nfs/dbraw/zinc/25/49/71/1104254971.db2.gz PLVGBZWZCKGFQF-LNLFQRSKSA-N 1 3 327.472 2.301 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2ccc(Cl)nc2)CC[N@@H+]1C ZINC001498045205 1106830898 /nfs/dbraw/zinc/83/08/98/1106830898.db2.gz KFMNGDZRWUFOBJ-AEGPPILISA-N 1 3 338.883 2.060 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2ccc(Cl)nc2)CC[N@H+]1C ZINC001498045205 1106830908 /nfs/dbraw/zinc/83/09/08/1106830908.db2.gz KFMNGDZRWUFOBJ-AEGPPILISA-N 1 3 338.883 2.060 10 0 EEAEHO Cc1nsc(C)c1CNCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001493583783 1108357563 /nfs/dbraw/zinc/35/75/63/1108357563.db2.gz JCYGQCDVHDFKTM-OAHLLOKOSA-N 1 3 338.521 2.182 10 0 EEAEHO Cc1nsc(C)c1CNCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001493583783 1108357578 /nfs/dbraw/zinc/35/75/78/1108357578.db2.gz JCYGQCDVHDFKTM-OAHLLOKOSA-N 1 3 338.521 2.182 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H]2C[C@@H]([NH2+]CCCF)C2)C1 ZINC001479321842 1110681065 /nfs/dbraw/zinc/68/10/65/1110681065.db2.gz OLHDAISPUDQPGH-VBQJREDUSA-N 1 3 331.451 2.043 10 0 EEAEHO CC[C@@H](F)CN1CC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001499615614 1112412857 /nfs/dbraw/zinc/41/28/57/1112412857.db2.gz FLTNTZGYSPUTIC-SJLPKXTDSA-N 1 3 327.488 2.391 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCC2)C1 ZINC001501170412 1113226643 /nfs/dbraw/zinc/22/66/43/1113226643.db2.gz UPHAAZKJRWTRPW-KANFNMMFSA-N 1 3 333.520 2.488 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCC2)C1 ZINC001501170412 1113226646 /nfs/dbraw/zinc/22/66/46/1113226646.db2.gz UPHAAZKJRWTRPW-KANFNMMFSA-N 1 3 333.520 2.488 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](F)CC ZINC001501171636 1113227117 /nfs/dbraw/zinc/22/71/17/1113227117.db2.gz FRRGFSPFWYNDJH-NXOAAHMSSA-N 1 3 327.488 2.436 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](F)CC ZINC001501171636 1113227119 /nfs/dbraw/zinc/22/71/19/1113227119.db2.gz FRRGFSPFWYNDJH-NXOAAHMSSA-N 1 3 327.488 2.436 10 0 EEAEHO Cc1cccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001501544238 1113377123 /nfs/dbraw/zinc/37/71/23/1113377123.db2.gz HVOBLUWUGNZBOW-MJGOQNOKSA-N 1 3 329.488 2.417 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC001505760728 1114174819 /nfs/dbraw/zinc/17/48/19/1114174819.db2.gz OJZKNAMIPOEUQS-HZPDHXFCSA-N 1 3 347.503 2.082 10 0 EEAEHO C[NH+](C)CCCC(=O)NC1(CNCc2ccns2)CCCCC1 ZINC001506519048 1114668447 /nfs/dbraw/zinc/66/84/47/1114668447.db2.gz UQQGASAFXOTSOX-UHFFFAOYSA-N 1 3 338.521 2.394 10 0 EEAEHO Cc1cc(CN[C@H](C)CN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)sn1 ZINC001507088189 1115101963 /nfs/dbraw/zinc/10/19/63/1115101963.db2.gz ZXSWRGFIVIOOKQ-HUUCEWRRSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1cc(CN[C@H](C)CN(C)C(=O)CC[C@H]2CCC[N@H+]2C)sn1 ZINC001507088189 1115101964 /nfs/dbraw/zinc/10/19/64/1115101964.db2.gz ZXSWRGFIVIOOKQ-HUUCEWRRSA-N 1 3 338.521 2.262 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CC2CCC2)C1 ZINC001507455102 1115279662 /nfs/dbraw/zinc/27/96/62/1115279662.db2.gz AYWKTAUPICENMJ-GJZGRUSLSA-N 1 3 349.441 2.355 10 0 EEAEHO CN(CC(=O)N[C@H](C[NH2+]C[C@H]1CCOC1)C(C)(C)C)CC(C)(C)C ZINC001508023739 1115390421 /nfs/dbraw/zinc/39/04/21/1115390421.db2.gz PSBRLTGVWDARLT-HZPDHXFCSA-N 1 3 341.540 2.121 10 0 EEAEHO CCOCCN1CC[C@H](N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001567914380 1124176021 /nfs/dbraw/zinc/17/60/21/1124176021.db2.gz SRMAJBWUBDJNLO-KRWDZBQOSA-N 1 3 339.524 2.209 10 0 EEAEHO CCOCCN1CC[C@H](N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001567914380 1124176023 /nfs/dbraw/zinc/17/60/23/1124176023.db2.gz SRMAJBWUBDJNLO-KRWDZBQOSA-N 1 3 339.524 2.209 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(Cl)n1)N(C)C ZINC001568673889 1124685893 /nfs/dbraw/zinc/68/58/93/1124685893.db2.gz BTRULSLAYSBSLS-XJKSGUPXSA-N 1 3 340.899 2.306 10 0 EEAEHO C[C@@H](CC[NH2+]CCC1CC1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001568678492 1124690350 /nfs/dbraw/zinc/69/03/50/1124690350.db2.gz SFVHNVHVBWPFKC-KBXCAEBGSA-N 1 3 327.488 2.483 10 0 EEAEHO Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)CN1CC[C@H](C)C1 ZINC001568920462 1124949549 /nfs/dbraw/zinc/94/95/49/1124949549.db2.gz VYUVUSMFCGIEKU-BWPKMQGJSA-N 1 3 333.451 2.238 10 0 EEAEHO Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)N(C)C)c(C)n1 ZINC001569237713 1125185988 /nfs/dbraw/zinc/18/59/88/1125185988.db2.gz RTZYXORBCNVWAY-GOSISDBHSA-N 1 3 334.508 2.223 10 0 EEAEHO Cc1nocc1C[NH2+]CCCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001569268707 1125208430 /nfs/dbraw/zinc/20/84/30/1125208430.db2.gz JUBHMLZMIXQEDM-UHFFFAOYSA-N 1 3 344.459 2.297 10 0 EEAEHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415950468 529948643 /nfs/dbraw/zinc/94/86/43/529948643.db2.gz DLRGLSOHQWKIKC-CYBMUJFWSA-N 1 3 334.439 2.277 10 0 EEAEHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415950468 529948644 /nfs/dbraw/zinc/94/86/44/529948644.db2.gz DLRGLSOHQWKIKC-CYBMUJFWSA-N 1 3 334.439 2.277 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066187340 215021248 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Cc1c[nH+]ccc1N1CCC(C(=O)N(CCN(C)C)C2CC2)CC1 ZINC000377302380 154131722 /nfs/dbraw/zinc/13/17/22/154131722.db2.gz DVJJBLBLCBQBHB-UHFFFAOYSA-N 1 3 330.476 2.159 10 0 EEAEHO CN1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)[C@H]1c1ccccc1 ZINC000245628618 160245461 /nfs/dbraw/zinc/24/54/61/160245461.db2.gz HERHPYHOMMNWQP-ZYSHUDEJSA-N 1 3 342.487 2.215 10 0 EEAEHO CN1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[C@H]1c1ccccc1 ZINC000245628618 160245463 /nfs/dbraw/zinc/24/54/63/160245463.db2.gz HERHPYHOMMNWQP-ZYSHUDEJSA-N 1 3 342.487 2.215 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000246256670 160270837 /nfs/dbraw/zinc/27/08/37/160270837.db2.gz QAYWQYRKCUDVAD-TZIWHRDSSA-N 1 3 344.547 2.124 10 0 EEAEHO CSC1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CCN(C)CC1 ZINC000359265744 164098490 /nfs/dbraw/zinc/09/84/90/164098490.db2.gz UAKQIJCFDYOHSM-UHFFFAOYSA-N 1 3 341.565 2.442 10 0 EEAEHO CCC[NH+]1CCC(CN[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000359373265 164122857 /nfs/dbraw/zinc/12/28/57/164122857.db2.gz OJVXAEXYLCNZBM-AWEZNQCLSA-N 1 3 339.505 2.107 10 0 EEAEHO C[C@H]1Cc2ccccc2[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000154997158 292533320 /nfs/dbraw/zinc/53/33/20/292533320.db2.gz YPNMXEKBXZEGBU-MAUKXSAKSA-N 1 3 332.492 2.055 10 0 EEAEHO CCOC(=O)c1csc(CCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000375840036 167210372 /nfs/dbraw/zinc/21/03/72/167210372.db2.gz OEQIJHXEEMPBME-NFAWXSAZSA-N 1 3 337.489 2.325 10 0 EEAEHO CCOC(=O)c1csc(CCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000375840036 167210375 /nfs/dbraw/zinc/21/03/75/167210375.db2.gz OEQIJHXEEMPBME-NFAWXSAZSA-N 1 3 337.489 2.325 10 0 EEAEHO CC[C@@H]1Oc2cc([C@H](C)N[C@@H](CCC[NH3+])COC)ccc2NC1=O ZINC000422810578 287343459 /nfs/dbraw/zinc/34/34/59/287343459.db2.gz NSTRODJDGQFGDW-NOLJZWGESA-N 1 3 335.448 2.201 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)[C@@H]1c1ccccc1 ZINC000179480331 277166398 /nfs/dbraw/zinc/16/63/98/277166398.db2.gz IGVQUZSJUGVMAJ-FHWLQOOXSA-N 1 3 342.487 2.312 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CCC(C[NH+](C)C)CC2)[C@H]1c1ccccc1 ZINC000372267575 289105213 /nfs/dbraw/zinc/10/52/13/289105213.db2.gz SBFGVAXPGSFJRS-RBUKOAKNSA-N 1 3 344.503 2.415 10 0 EEAEHO CN(C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@H]1CCN(C2CC2)C1 ZINC000349664093 289354903 /nfs/dbraw/zinc/35/49/03/289354903.db2.gz GEPIIPHAYUXRCX-ZWKOTPCHSA-N 1 3 336.524 2.375 10 0 EEAEHO CN1CC[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)[C@@H]2CCC[C@H]21 ZINC000353611739 290214561 /nfs/dbraw/zinc/21/45/61/290214561.db2.gz FCDURWPQDJIASI-OMZCGLGVSA-N 1 3 335.536 2.217 10 0 EEAEHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000417194829 313445034 /nfs/dbraw/zinc/44/50/34/313445034.db2.gz NCVJIJJYGNXHGQ-QZTJIDSGSA-N 1 3 334.508 2.174 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000417314171 313481276 /nfs/dbraw/zinc/48/12/76/313481276.db2.gz QTZWQJIBYPEOLL-ROUUACIJSA-N 1 3 330.476 2.134 10 0 EEAEHO Cn1ncc(Br)c1CNC1CCC(C[NH+](C)C)CC1 ZINC000487533418 315764078 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C[C@H]1CCN(CC(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC000565181722 319158527 /nfs/dbraw/zinc/15/85/27/319158527.db2.gz PMWWKTZZVKVHCE-KRWDZBQOSA-N 1 3 341.499 2.378 10 0 EEAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000566682087 319311655 /nfs/dbraw/zinc/31/16/55/319311655.db2.gz NVVZAGNZYXAAAV-DTDBQYNISA-N 1 3 333.451 2.342 10 0 EEAEHO CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000574351642 320017910 /nfs/dbraw/zinc/01/79/10/320017910.db2.gz VKARMYKGQLVMFD-QYZOEREBSA-N 1 3 331.504 2.300 10 0 EEAEHO Cc1nccn1CCCCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000161718478 463452966 /nfs/dbraw/zinc/45/29/66/463452966.db2.gz GNCCERSXRXIZFL-IBGZPJMESA-N 1 3 333.524 2.074 10 0 EEAEHO Cc1nccn1CCCCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000161718478 463452972 /nfs/dbraw/zinc/45/29/72/463452972.db2.gz GNCCERSXRXIZFL-IBGZPJMESA-N 1 3 333.524 2.074 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000057203917 463465238 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CCN1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cccc(C(C)=O)c2)[C@@H](C)C1 ZINC000269657912 464049841 /nfs/dbraw/zinc/04/98/41/464049841.db2.gz SOKJOUOYIXJZPH-CVAIRZPRSA-N 1 3 348.487 2.291 10 0 EEAEHO C[C@H](CC(=O)N[C@H](Cc1ccccc1)CN(C)C)C1CC[NH2+]CC1 ZINC000237373115 464311341 /nfs/dbraw/zinc/31/13/41/464311341.db2.gz ITWJQJYUWDVEIM-VQIMIIECSA-N 1 3 331.504 2.301 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CN1Cc1ccccc1 ZINC000246408764 464580705 /nfs/dbraw/zinc/58/07/05/464580705.db2.gz BAMUBYVWGHKKLJ-QRQLOZEOSA-N 1 3 342.487 2.139 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CN1Cc1ccccc1 ZINC000246408764 464580707 /nfs/dbraw/zinc/58/07/07/464580707.db2.gz BAMUBYVWGHKKLJ-QRQLOZEOSA-N 1 3 342.487 2.139 10 0 EEAEHO COCCN(C)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cn1 ZINC000191221961 464802216 /nfs/dbraw/zinc/80/22/16/464802216.db2.gz YNKLZOTZOWPKFQ-AYHJJNSGSA-N 1 3 332.492 2.269 10 0 EEAEHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000192804688 465001593 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C[C@H]1C[C@@H](NC(=O)N2CCN3CCC2CC3)CN1Cc1ccccc1 ZINC000376918263 466965678 /nfs/dbraw/zinc/96/56/78/466965678.db2.gz NOKDUPPFZWVAQT-FUHWJXTLSA-N 1 3 342.487 2.139 10 0 EEAEHO C[C@H]1C[C@@H](NC(=O)N2CCN3CCC2CC3)C[N@@H+]1Cc1ccccc1 ZINC000376918263 466965679 /nfs/dbraw/zinc/96/56/79/466965679.db2.gz NOKDUPPFZWVAQT-FUHWJXTLSA-N 1 3 342.487 2.139 10 0 EEAEHO C[C@H]1C[C@@H](NC(=O)N2CCN3CCC2CC3)C[N@H+]1Cc1ccccc1 ZINC000376918263 466965685 /nfs/dbraw/zinc/96/56/85/466965685.db2.gz NOKDUPPFZWVAQT-FUHWJXTLSA-N 1 3 342.487 2.139 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)[C@@H]1c1ccccc1 ZINC000417942475 466996521 /nfs/dbraw/zinc/99/65/21/466996521.db2.gz OAPKDYPKGSMWLO-BJLQDIEVSA-N 1 3 342.487 2.217 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417974476 467006592 /nfs/dbraw/zinc/00/65/92/467006592.db2.gz DLROZCOBLHECRW-YLJYHZDGSA-N 1 3 344.503 2.292 10 0 EEAEHO C[C@]1(CNC(=O)N2CC[C@H](C[NH3+])C2)CCCN1Cc1ccccc1 ZINC000418039365 467030678 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CCC[C@@H](O)CN1CCC[C@@]2(CCC[N@@H+](C[C@@H](O)CCC)C2)C1 ZINC000451041890 467232770 /nfs/dbraw/zinc/23/27/70/467232770.db2.gz BVHPEKCWFBVWDD-CEXWTWQISA-N 1 3 326.525 2.486 10 0 EEAEHO CCC[C@@H](O)C[N@H+]1CCC[C@@]2(CCCN(C[C@@H](O)CCC)C2)C1 ZINC000451041890 467232773 /nfs/dbraw/zinc/23/27/73/467232773.db2.gz BVHPEKCWFBVWDD-CEXWTWQISA-N 1 3 326.525 2.486 10 0 EEAEHO CCC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCCN(C[C@@H](O)CCC)C2)C1 ZINC000451041890 467232778 /nfs/dbraw/zinc/23/27/78/467232778.db2.gz BVHPEKCWFBVWDD-CEXWTWQISA-N 1 3 326.525 2.486 10 0 EEAEHO Cc1nc2sccn2c(=O)c1CCNC(C)(C)C[NH+]1CCCC1 ZINC000452099275 467321928 /nfs/dbraw/zinc/32/19/28/467321928.db2.gz WGDZCPJGKKANBW-UHFFFAOYSA-N 1 3 334.489 2.071 10 0 EEAEHO C[C@@H](CNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)[NH+](C)C ZINC000455436892 467682317 /nfs/dbraw/zinc/68/23/17/467682317.db2.gz VEYTYOVPCCJIHQ-DZKIICNBSA-N 1 3 338.521 2.380 10 0 EEAEHO CCN1CCC([N@@H+]2CCCN(Cc3cc(CO)ccc3F)CC2)CC1 ZINC000528527975 467696974 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1187121839 /nfs/dbraw/zinc/12/18/39/1187121839.db2.gz WCACPOVIPWVWQE-OKZBNKHCSA-N 1 3 339.524 2.065 10 0 EEAEHO CN(CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)Cc1ccc2cc[nH]c2c1 ZINC001482642758 1187474316 /nfs/dbraw/zinc/47/43/16/1187474316.db2.gz SJKIWSKDACIXNF-KRWDZBQOSA-N 1 3 342.487 2.400 10 0 EEAEHO CN(CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1ccc2cc[nH]c2c1 ZINC001482642758 1187474321 /nfs/dbraw/zinc/47/43/21/1187474321.db2.gz SJKIWSKDACIXNF-KRWDZBQOSA-N 1 3 342.487 2.400 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cnc(Cl)s1)N(C)C ZINC001482866578 1187786179 /nfs/dbraw/zinc/78/61/79/1187786179.db2.gz AHPZNLHMSCGOFV-DGCLKSJQSA-N 1 3 346.928 2.367 10 0 EEAEHO CN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001482991147 1187969485 /nfs/dbraw/zinc/96/94/85/1187969485.db2.gz MSLAWPLMXLHSAB-AXMVSILFSA-N 1 3 327.472 2.420 10 0 EEAEHO CN(C)Cc1cccc(C(=O)NC/C=C\C[NH2+]C[C@H]2CCCOC2)c1 ZINC001483097669 1188472972 /nfs/dbraw/zinc/47/29/72/1188472972.db2.gz LAHPFRJQSYEGHB-DDKKJVIOSA-N 1 3 345.487 2.050 10 0 EEAEHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001483099031 1188475742 /nfs/dbraw/zinc/47/57/42/1188475742.db2.gz VPTFVMAXWIUHAK-MBVDDHJVSA-N 1 3 331.451 2.414 10 0 EEAEHO C[C@H](CNCc1cnn(C(C)(C)C)c1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483156143 1188960982 /nfs/dbraw/zinc/96/09/82/1188960982.db2.gz JUOPNTKWHQZNJV-OAHLLOKOSA-N 1 3 349.523 2.107 10 0 EEAEHO C[C@H](CNCc1cnc(-c2ccccc2)s1)NC(=O)CC[NH+](C)C ZINC001483162705 1188986556 /nfs/dbraw/zinc/98/65/56/1188986556.db2.gz KXBUMIVYKYEKOE-CQSZACIVSA-N 1 3 346.500 2.356 10 0 EEAEHO COc1ccc(CN(C)[C@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1C ZINC001409661082 1190158280 /nfs/dbraw/zinc/15/82/80/1190158280.db2.gz ZLPQVSNXVAXLRH-SJLPKXTDSA-N 1 3 347.503 2.282 10 0 EEAEHO COc1ccc(CN(C)[C@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC001409661082 1190158282 /nfs/dbraw/zinc/15/82/82/1190158282.db2.gz ZLPQVSNXVAXLRH-SJLPKXTDSA-N 1 3 347.503 2.282 10 0 EEAEHO C[C@@H](C[NH2+]Cc1cccc2cccnc21)NC(=O)CN1CC[C@@H](C)C1 ZINC001483266113 1190290466 /nfs/dbraw/zinc/29/04/66/1190290466.db2.gz DIDLYKQKAVDNJJ-CVEARBPZSA-N 1 3 340.471 2.171 10 0 EEAEHO CCOCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001486137987 1193692480 /nfs/dbraw/zinc/69/24/80/1193692480.db2.gz WMAGLAVTWUSNLO-APWZRJJASA-N 1 3 347.503 2.367 10 0 EEAEHO C[C@H](C(=O)NC[C@@H](O)C[NH2+]CCCC(C)(C)C)N1CCCCCC1 ZINC001272536984 1190870700 /nfs/dbraw/zinc/87/07/00/1190870700.db2.gz OCWUQHHSVZKBOZ-SJORKVTESA-N 1 3 341.540 2.144 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CCCOC)C1 ZINC001483800753 1191042561 /nfs/dbraw/zinc/04/25/61/1191042561.db2.gz BONVSDDOKFANOH-ZWKOTPCHSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@@H+](CCCOC)C1 ZINC001483800753 1191042564 /nfs/dbraw/zinc/04/25/64/1191042564.db2.gz BONVSDDOKFANOH-ZWKOTPCHSA-N 1 3 339.524 2.068 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC1CCOCC1)C1CCCC1 ZINC001484014904 1191156509 /nfs/dbraw/zinc/15/65/09/1191156509.db2.gz TZNYJTCRACICCV-GOSISDBHSA-N 1 3 339.524 2.018 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1191537820 /nfs/dbraw/zinc/53/78/20/1191537820.db2.gz KQMLKSAIMCIGTR-MJGOQNOKSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]CCC[C@@H]2CCOC2)CC1 ZINC001484928213 1191574146 /nfs/dbraw/zinc/57/41/46/1191574146.db2.gz KZTGBBAQXSYMJY-QGZVFWFLSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]CCC1CCOCC1 ZINC001485179775 1191679091 /nfs/dbraw/zinc/67/90/91/1191679091.db2.gz JKEXFUHYVFGIJS-HOTGVXAUSA-N 1 3 339.524 2.160 10 0 EEAEHO Cc1cncc(CN2CC[C@@]3(NC(=O)CCC[NH+](C)C)CCC[C@@H]23)c1 ZINC001486151772 1193702482 /nfs/dbraw/zinc/70/24/82/1193702482.db2.gz YDFMOLNJOLMTRB-QUCCMNQESA-N 1 3 344.503 2.345 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCOCC(C)C)C1 ZINC001486482989 1193996876 /nfs/dbraw/zinc/99/68/76/1193996876.db2.gz AMVLQXTWIXWQHY-DAWZGUTISA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N(C)[C@H](CNCc2ccccn2)C2CC2)CC[N@@H+]1C ZINC001410307324 1197669612 /nfs/dbraw/zinc/66/96/12/1197669612.db2.gz FJIQEEPKVQAXSA-VDZJLULYSA-N 1 3 344.503 2.139 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N(C)[C@H](CNCc2ccccn2)C2CC2)CC[N@H+]1C ZINC001410307324 1197669614 /nfs/dbraw/zinc/66/96/14/1197669614.db2.gz FJIQEEPKVQAXSA-VDZJLULYSA-N 1 3 344.503 2.139 10 0 EEAEHO Cc1ccc(F)c(CN[C@H](C)CN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001410368312 1197759595 /nfs/dbraw/zinc/75/95/95/1197759595.db2.gz AVWCSPQASNFBAY-QAPCUYQASA-N 1 3 347.478 2.412 10 0 EEAEHO Cc1nc(C)c(CN[C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001410384912 1197784065 /nfs/dbraw/zinc/78/40/65/1197784065.db2.gz QREHZBVXGZCZDP-UXIGCNINSA-N 1 3 338.521 2.037 10 0 EEAEHO Cc1nc(C)c(CN[C@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001410384912 1197784071 /nfs/dbraw/zinc/78/40/71/1197784071.db2.gz QREHZBVXGZCZDP-UXIGCNINSA-N 1 3 338.521 2.037 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2F)[C@H]1C ZINC001410844718 1198495056 /nfs/dbraw/zinc/49/50/56/1198495056.db2.gz JKTQHYWZWCPXHF-QAPCUYQASA-N 1 3 335.467 2.287 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccn(C(C)C)n2)C1 ZINC001410953735 1198621566 /nfs/dbraw/zinc/62/15/66/1198621566.db2.gz KOINUUHPJDFNPJ-SJORKVTESA-N 1 3 349.523 2.179 10 0 EEAEHO CCCN(C)CC(=O)N[C@H](C[NH2+]Cc1cncs1)C(C)(C)C ZINC001411217941 1198927471 /nfs/dbraw/zinc/92/74/71/1198927471.db2.gz ORJTWWNCJKGZJK-CQSZACIVSA-N 1 3 326.510 2.105 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@@H](C)C1CCN(Cc2cncc(C)c2)CC1 ZINC001411242071 1198960437 /nfs/dbraw/zinc/96/04/37/1198960437.db2.gz XXKDYKLTOSGUNV-KRWDZBQOSA-N 1 3 346.519 2.449 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CCN(Cc2cncc(C)c2)CC1 ZINC001411242071 1198960445 /nfs/dbraw/zinc/96/04/45/1198960445.db2.gz XXKDYKLTOSGUNV-KRWDZBQOSA-N 1 3 346.519 2.449 10 0 EEAEHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810182507 1199336813 /nfs/dbraw/zinc/33/68/13/1199336813.db2.gz VCKGLRCXIYDCCV-YLJYHZDGSA-N 1 3 349.494 2.488 10 0 EEAEHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870872704 1200922848 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Cc1ccncc1CNC/C=C\CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001497622174 1102763544 /nfs/dbraw/zinc/76/35/44/1102763544.db2.gz WIZOWEXZPLZLNG-HMECNJMJSA-N 1 3 344.503 2.272 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001497622174 1102763558 /nfs/dbraw/zinc/76/35/58/1102763558.db2.gz WIZOWEXZPLZLNG-HMECNJMJSA-N 1 3 344.503 2.272 10 0 EEAEHO C[N@H+](CCCCC(F)(F)F)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001494162675 1103626333 /nfs/dbraw/zinc/62/63/33/1103626333.db2.gz VSKVJKADDWYWKC-ZDUSSCGKSA-N 1 3 346.397 2.465 10 0 EEAEHO C[N@@H+](CCCCC(F)(F)F)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001494162675 1103626337 /nfs/dbraw/zinc/62/63/37/1103626337.db2.gz VSKVJKADDWYWKC-ZDUSSCGKSA-N 1 3 346.397 2.465 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC=C(Cl)Cl ZINC001494981335 1104623908 /nfs/dbraw/zinc/62/39/08/1104623908.db2.gz OBECTMZYSFNOKI-CHWSQXEVSA-N 1 3 334.291 2.132 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ncccc1C ZINC001498657492 1107909401 /nfs/dbraw/zinc/90/94/01/1107909401.db2.gz JQAVXRVNUFKMQH-SFHVURJKSA-N 1 3 332.492 2.203 10 0 EEAEHO CN(CCNCc1cc(Cl)cc(Cl)c1)C(=O)CC[NH+](C)C ZINC001493682700 1108500771 /nfs/dbraw/zinc/50/07/71/1108500771.db2.gz YWGKSVCSJDHZRS-UHFFFAOYSA-N 1 3 332.275 2.493 10 0 EEAEHO COc1ccc(C)cc1C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001479416530 1110694008 /nfs/dbraw/zinc/69/40/08/1110694008.db2.gz JUPUAYFDHMBVBS-SAABIXHNSA-N 1 3 347.503 2.328 10 0 EEAEHO CCOCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001501091554 1113195685 /nfs/dbraw/zinc/19/56/85/1113195685.db2.gz OPOSRDTUIZXRCE-APWZRJJASA-N 1 3 347.503 2.225 10 0 EEAEHO Cc1cncc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001501578653 1113389018 /nfs/dbraw/zinc/38/90/18/1113389018.db2.gz MGVLKPGWBXOZEU-MJGOQNOKSA-N 1 3 346.519 2.304 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCCO)cc1 ZINC001501676137 1113428713 /nfs/dbraw/zinc/42/87/13/1113428713.db2.gz GYVMWQUJRIXIJI-APWZRJJASA-N 1 3 347.503 2.209 10 0 EEAEHO Cc1cccnc1CNC1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCC1 ZINC001501989122 1113549276 /nfs/dbraw/zinc/54/92/76/1113549276.db2.gz UWKMAKYRHZJURK-UHFFFAOYSA-N 1 3 344.503 2.393 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CC[C@]2(C1)CN(CCC(C)(C)C)CCO2 ZINC001506727681 1114837737 /nfs/dbraw/zinc/83/77/37/1114837737.db2.gz XBLQHQMNRBCEGB-LJQANCHMSA-N 1 3 339.524 2.068 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CC[C@]2(C1)CN(CCC(C)(C)C)CCO2 ZINC001506727681 1114837739 /nfs/dbraw/zinc/83/77/39/1114837739.db2.gz XBLQHQMNRBCEGB-LJQANCHMSA-N 1 3 339.524 2.068 10 0 EEAEHO CC(C)OCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001507339214 1115202545 /nfs/dbraw/zinc/20/25/45/1115202545.db2.gz MMGNBDSPRLVKPM-VQIMIIECSA-N 1 3 347.503 2.366 10 0 EEAEHO CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC001507451776 1115277248 /nfs/dbraw/zinc/27/72/48/1115277248.db2.gz ZITQBHUVWXLKSO-SJORKVTESA-N 1 3 341.540 2.072 10 0 EEAEHO C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCCOc1ccccc1 ZINC001567861186 1124143829 /nfs/dbraw/zinc/14/38/29/1124143829.db2.gz MJILTFCWEGOLDS-ROUUACIJSA-N 1 3 345.487 2.082 10 0 EEAEHO Cc1cc(CNCC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001568057837 1124263969 /nfs/dbraw/zinc/26/39/69/1124263969.db2.gz YBOVMCLKUBNBCF-SOLBZPMBSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1cc(CNCC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001568057837 1124263974 /nfs/dbraw/zinc/26/39/74/1124263974.db2.gz YBOVMCLKUBNBCF-SOLBZPMBSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1nc(C)c(CNCC[C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001568645739 1124658137 /nfs/dbraw/zinc/65/81/37/1124658137.db2.gz KAZCHEYRWNVLGD-CQSZACIVSA-N 1 3 348.491 2.152 10 0 EEAEHO CC1CCN(CC(=O)NC/C=C/C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001568939526 1124971801 /nfs/dbraw/zinc/97/18/01/1124971801.db2.gz NIMZACYDMSYHNJ-NTRYVKHDSA-N 1 3 333.520 2.417 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCNCc1oc(C)nc1C ZINC001569208693 1125166118 /nfs/dbraw/zinc/16/61/18/1125166118.db2.gz PXMPOAQDDGKAAU-INIZCTEOSA-N 1 3 336.480 2.104 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCCNCc1oc(C)nc1C ZINC001569208693 1125166123 /nfs/dbraw/zinc/16/61/23/1125166123.db2.gz PXMPOAQDDGKAAU-INIZCTEOSA-N 1 3 336.480 2.104 10 0 EEAEHO COc1ccc(CCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000422726046 240196289 /nfs/dbraw/zinc/19/62/89/240196289.db2.gz ZCJHRQHFJXLRGY-KZNAEPCWSA-N 1 3 348.487 2.383 10 0 EEAEHO CCCN1CCN([C@H](C[NH3+])c2cccc(Br)c2)CC1 ZINC000022178466 212280171 /nfs/dbraw/zinc/28/01/71/212280171.db2.gz LVHQJRKWLGTLHD-OAHLLOKOSA-N 1 3 326.282 2.477 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCC[C@@H](F)C1 ZINC000424631759 285248839 /nfs/dbraw/zinc/24/88/39/285248839.db2.gz AXSKVYMDXZWALY-GVDBMIGSSA-N 1 3 327.488 2.389 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCC[C@@H](F)C1 ZINC000424631759 285248840 /nfs/dbraw/zinc/24/88/40/285248840.db2.gz AXSKVYMDXZWALY-GVDBMIGSSA-N 1 3 327.488 2.389 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)CC(F)(F)F ZINC000457519403 285279273 /nfs/dbraw/zinc/27/92/73/285279273.db2.gz FCQPQGCZNSOIQA-KBPBESRZSA-N 1 3 337.430 2.449 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)CC(F)(F)F ZINC000457519403 285279274 /nfs/dbraw/zinc/27/92/74/285279274.db2.gz FCQPQGCZNSOIQA-KBPBESRZSA-N 1 3 337.430 2.449 10 0 EEAEHO C[C@@H](CN1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245706486 160249898 /nfs/dbraw/zinc/24/98/98/160249898.db2.gz MPAWOJQYDKOIMT-ZIBCJSCZSA-N 1 3 343.515 2.492 10 0 EEAEHO C[C@@H](CN1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245706486 160249899 /nfs/dbraw/zinc/24/98/99/160249899.db2.gz MPAWOJQYDKOIMT-ZIBCJSCZSA-N 1 3 343.515 2.492 10 0 EEAEHO OC[C@H]([NH2+]C/C=C/CN[C@H](CO)c1ccsc1)c1ccsc1 ZINC000352019459 162031538 /nfs/dbraw/zinc/03/15/38/162031538.db2.gz FEOVTJHWKSGPOY-YVFUIXNUSA-N 1 3 338.498 2.312 10 0 EEAEHO OC[C@H](NC/C=C/C[NH2+][C@H](CO)c1ccsc1)c1ccsc1 ZINC000352019459 162031540 /nfs/dbraw/zinc/03/15/40/162031540.db2.gz FEOVTJHWKSGPOY-YVFUIXNUSA-N 1 3 338.498 2.312 10 0 EEAEHO CN(C)CCN(Cc1ccccn1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000355018257 163052876 /nfs/dbraw/zinc/05/28/76/163052876.db2.gz OTRMJUYWGIMODI-GOSISDBHSA-N 1 3 332.492 2.236 10 0 EEAEHO CN(C)CCN(Cc1ccccn1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000355018257 163052877 /nfs/dbraw/zinc/05/28/77/163052877.db2.gz OTRMJUYWGIMODI-GOSISDBHSA-N 1 3 332.492 2.236 10 0 EEAEHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000291324016 275294280 /nfs/dbraw/zinc/29/42/80/275294280.db2.gz QQFZHGBDHZLWHP-SJLPKXTDSA-N 1 3 334.508 2.187 10 0 EEAEHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000291324016 275294281 /nfs/dbraw/zinc/29/42/81/275294281.db2.gz QQFZHGBDHZLWHP-SJLPKXTDSA-N 1 3 334.508 2.187 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CN1C1CC1 ZINC000246303700 297272715 /nfs/dbraw/zinc/27/27/15/297272715.db2.gz LUCMONANMCPZAJ-JFIYKMOQSA-N 1 3 334.508 2.272 10 0 EEAEHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414938364 313112429 /nfs/dbraw/zinc/11/24/29/313112429.db2.gz IMDLYDNNPMWHKG-DAYGRLMNSA-N 1 3 343.471 2.429 10 0 EEAEHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000416785428 313315991 /nfs/dbraw/zinc/31/59/91/313315991.db2.gz KWPPMQRBRZFTAZ-GUDVDZBRSA-N 1 3 342.487 2.217 10 0 EEAEHO CN(CCC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000543714901 318167907 /nfs/dbraw/zinc/16/79/07/318167907.db2.gz MYQKABMTABHWNB-KRWDZBQOSA-N 1 3 330.476 2.098 10 0 EEAEHO CN(C)CCN(C)CCC[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000564323384 319078416 /nfs/dbraw/zinc/07/84/16/319078416.db2.gz IBORHNWMYHBBNA-UHFFFAOYSA-N 1 3 335.521 2.249 10 0 EEAEHO CN(C)CCN(C)CCC[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000564323384 319078418 /nfs/dbraw/zinc/07/84/18/319078418.db2.gz IBORHNWMYHBBNA-UHFFFAOYSA-N 1 3 335.521 2.249 10 0 EEAEHO NC[C@@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000575236180 320098032 /nfs/dbraw/zinc/09/80/32/320098032.db2.gz KIROHPVNSPRFKS-RBUKOAKNSA-N 1 3 338.455 2.376 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000580412285 324056407 /nfs/dbraw/zinc/05/64/07/324056407.db2.gz OOQKTHWHUSWNHK-ZWKOTPCHSA-N 1 3 326.444 2.233 10 0 EEAEHO O[C@H](COc1ccccc1F)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193080642 465025889 /nfs/dbraw/zinc/02/58/89/465025889.db2.gz GYZCICDCSIECJC-KRWDZBQOSA-N 1 3 336.451 2.373 10 0 EEAEHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCN3CCC2CC3)C1 ZINC000341269654 465085221 /nfs/dbraw/zinc/08/52/21/465085221.db2.gz MBPNAKJUAJNYNY-FUHWJXTLSA-N 1 3 342.487 2.312 10 0 EEAEHO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCN3CCC2CC3)C1 ZINC000341269654 465085223 /nfs/dbraw/zinc/08/52/23/465085223.db2.gz MBPNAKJUAJNYNY-FUHWJXTLSA-N 1 3 342.487 2.312 10 0 EEAEHO CN1CCC2(CCCN2C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000355348656 465242762 /nfs/dbraw/zinc/24/27/62/465242762.db2.gz ZUMDOAFDDBPHBT-UHFFFAOYSA-N 1 3 334.508 2.273 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)[C@@H]2CCCN(C)C2)CC1 ZINC000073988602 462540691 /nfs/dbraw/zinc/54/06/91/462540691.db2.gz HPYRAFXFRJMTPL-QGZVFWFLSA-N 1 3 330.476 2.159 10 0 EEAEHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000079121328 463190579 /nfs/dbraw/zinc/19/05/79/463190579.db2.gz CUMAPAVZJMTSQH-WMZOPIPTSA-N 1 3 332.492 2.463 10 0 EEAEHO C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000079121328 463190584 /nfs/dbraw/zinc/19/05/84/463190584.db2.gz CUMAPAVZJMTSQH-WMZOPIPTSA-N 1 3 332.492 2.463 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)C3CCC(F)(F)CC3)CC2)CC1 ZINC000122220580 463247501 /nfs/dbraw/zinc/24/75/01/463247501.db2.gz RDPWCEVCNBJUDP-UHFFFAOYSA-N 1 3 343.462 2.487 10 0 EEAEHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)N2CCCC2)cc1 ZINC000170835376 463718533 /nfs/dbraw/zinc/71/85/33/463718533.db2.gz AZUORVSRQMFUAK-RBUKOAKNSA-N 1 3 344.503 2.477 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000170863055 463725756 /nfs/dbraw/zinc/72/57/56/463725756.db2.gz HTNSYADWAHPWSN-ROUUACIJSA-N 1 3 332.492 2.197 10 0 EEAEHO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522832094 468377628 /nfs/dbraw/zinc/37/76/28/468377628.db2.gz GVIKMXGNASQYKY-PKOBYXMFSA-N 1 3 344.503 2.284 10 0 EEAEHO C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522832094 468377632 /nfs/dbraw/zinc/37/76/32/468377632.db2.gz GVIKMXGNASQYKY-PKOBYXMFSA-N 1 3 344.503 2.284 10 0 EEAEHO CN(C)Cc1cccc(C(=O)N(CC[NH3+])CCc2ccccc2)c1 ZINC000261791293 463861956 /nfs/dbraw/zinc/86/19/56/463861956.db2.gz UNWHMRJYCIJIEG-UHFFFAOYSA-N 1 3 325.456 2.392 10 0 EEAEHO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](N3CC=CC3)C2)[C@H]1c1ccccc1 ZINC000248134446 464732034 /nfs/dbraw/zinc/73/20/34/464732034.db2.gz XDLOQVMYUVJJNO-CEXWTWQISA-N 1 3 340.471 2.088 10 0 EEAEHO C[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](N3CC=CC3)C2)[C@H]1c1ccccc1 ZINC000248134446 464732042 /nfs/dbraw/zinc/73/20/42/464732042.db2.gz XDLOQVMYUVJJNO-CEXWTWQISA-N 1 3 340.471 2.088 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)[C@H]1c1ccccc1 ZINC000248134446 464732052 /nfs/dbraw/zinc/73/20/52/464732052.db2.gz XDLOQVMYUVJJNO-CEXWTWQISA-N 1 3 340.471 2.088 10 0 EEAEHO CCc1nccn1[C@@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192735833 464986626 /nfs/dbraw/zinc/98/66/26/464986626.db2.gz YHMUYONUFHCGCC-LJQANCHMSA-N 1 3 347.551 2.499 10 0 EEAEHO CCc1nccn1[C@@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192735833 464986633 /nfs/dbraw/zinc/98/66/33/464986633.db2.gz YHMUYONUFHCGCC-LJQANCHMSA-N 1 3 347.551 2.499 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000337383283 465339236 /nfs/dbraw/zinc/33/92/36/465339236.db2.gz VQJSEXYVBWRMMM-MJGOQNOKSA-N 1 3 346.519 2.333 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000337383283 465339239 /nfs/dbraw/zinc/33/92/39/465339239.db2.gz VQJSEXYVBWRMMM-MJGOQNOKSA-N 1 3 346.519 2.333 10 0 EEAEHO CN1CCC2(CCCN2C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000352469318 465531639 /nfs/dbraw/zinc/53/16/39/465531639.db2.gz XAMGNSNKBOMDAN-ALOPSCKCSA-N 1 3 334.508 2.272 10 0 EEAEHO CN1CCC2(CCCN2C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000352469318 465531646 /nfs/dbraw/zinc/53/16/46/465531646.db2.gz XAMGNSNKBOMDAN-ALOPSCKCSA-N 1 3 334.508 2.272 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)CCN2CCc3ccccc3C2)CC[N@@H+]1C ZINC000354361380 466505472 /nfs/dbraw/zinc/50/54/72/466505472.db2.gz HFHDKVWNEPXIDZ-VQIMIIECSA-N 1 3 329.488 2.376 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)CCN2CCc3ccccc3C2)CC[N@H+]1C ZINC000354361380 466505478 /nfs/dbraw/zinc/50/54/78/466505478.db2.gz HFHDKVWNEPXIDZ-VQIMIIECSA-N 1 3 329.488 2.376 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000417221159 466807871 /nfs/dbraw/zinc/80/78/71/466807871.db2.gz NKIFULHNYQWKAR-OQIJWPOYSA-N 1 3 342.487 2.215 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000417224767 466808819 /nfs/dbraw/zinc/80/88/19/466808819.db2.gz WDJOMIGTVMTKEH-HZSPNIEDSA-N 1 3 346.466 2.039 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000417224767 466808824 /nfs/dbraw/zinc/80/88/24/466808824.db2.gz WDJOMIGTVMTKEH-HZSPNIEDSA-N 1 3 346.466 2.039 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417542185 466880381 /nfs/dbraw/zinc/88/03/81/466880381.db2.gz ZODOERCFVULIAI-JZXOWHBKSA-N 1 3 336.524 2.423 10 0 EEAEHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000417583374 466886835 /nfs/dbraw/zinc/88/68/35/466886835.db2.gz KDFHWMUZXVCZOI-ZIAGYGMSSA-N 1 3 346.466 2.183 10 0 EEAEHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000417583374 466886841 /nfs/dbraw/zinc/88/68/41/466886841.db2.gz KDFHWMUZXVCZOI-ZIAGYGMSSA-N 1 3 346.466 2.183 10 0 EEAEHO C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000418037486 467031032 /nfs/dbraw/zinc/03/10/32/467031032.db2.gz DGJJDFMFFPEOAJ-XKGZKEIXSA-N 1 3 344.503 2.420 10 0 EEAEHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])N(C)C)cc1 ZINC000418203752 467074680 /nfs/dbraw/zinc/07/46/80/467074680.db2.gz KOIDYOSXQQKZKH-VBQJREDUSA-N 1 3 336.480 2.111 10 0 EEAEHO COc1ccc([C@@H](CN)C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000420297347 467343191 /nfs/dbraw/zinc/34/31/91/467343191.db2.gz CZOCRKIIOHUVRT-SFHVURJKSA-N 1 3 345.487 2.072 10 0 EEAEHO C[C@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CCN1C ZINC000397499341 467442002 /nfs/dbraw/zinc/44/20/02/467442002.db2.gz FKHNNDSIJLRVTI-PKOBYXMFSA-N 1 3 331.504 2.086 10 0 EEAEHO COC(=O)COc1c(C)cc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1C ZINC000415052022 467476629 /nfs/dbraw/zinc/47/66/29/467476629.db2.gz GQEGRONRNOQCPK-DNVCBOLYSA-N 1 3 334.460 2.272 10 0 EEAEHO COC(=O)COc1c(C)cc(C[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1C ZINC000415052022 467476633 /nfs/dbraw/zinc/47/66/33/467476633.db2.gz GQEGRONRNOQCPK-DNVCBOLYSA-N 1 3 334.460 2.272 10 0 EEAEHO COC(=O)COc1c(C)cc(C[N@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1C ZINC000415052022 467476636 /nfs/dbraw/zinc/47/66/36/467476636.db2.gz GQEGRONRNOQCPK-DNVCBOLYSA-N 1 3 334.460 2.272 10 0 EEAEHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCCNC2)c1 ZINC000415065529 467479294 /nfs/dbraw/zinc/47/92/94/467479294.db2.gz GLKDQANTBLZRRE-UONOGXRCSA-N 1 3 335.448 2.153 10 0 EEAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@]2(C)CCC(=O)N2)CC1 ZINC000453424195 467488468 /nfs/dbraw/zinc/48/84/68/467488468.db2.gz NMIRGBDGVMPWEI-OXJNMPFZSA-N 1 3 329.488 2.340 10 0 EEAEHO C[C@H](CN1CCOCC1)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449080962 467616921 /nfs/dbraw/zinc/61/69/21/467616921.db2.gz ARSUAFNBIHOSBT-MOPGFXCFSA-N 1 3 345.531 2.392 10 0 EEAEHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000458930421 467925072 /nfs/dbraw/zinc/92/50/72/467925072.db2.gz FCIZLRRPOPYZER-FUHWJXTLSA-N 1 3 336.524 2.375 10 0 EEAEHO Cc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)n(C2CCN(C)CC2)n1 ZINC000530710668 468003483 /nfs/dbraw/zinc/00/34/83/468003483.db2.gz SRDWPYWQGDCEQF-CABCVRRESA-N 1 3 348.495 2.062 10 0 EEAEHO Cc1cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)n(C2CCN(C)CC2)n1 ZINC000530710668 468003486 /nfs/dbraw/zinc/00/34/86/468003486.db2.gz SRDWPYWQGDCEQF-CABCVRRESA-N 1 3 348.495 2.062 10 0 EEAEHO CN(C)C[C@](C)(O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000567851995 468223508 /nfs/dbraw/zinc/22/35/08/468223508.db2.gz FBHOBPYZBYOKQD-RTBURBONSA-N 1 3 331.504 2.086 10 0 EEAEHO O[C@H](C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1)CC1CCCC1 ZINC000571910745 468856964 /nfs/dbraw/zinc/85/69/64/468856964.db2.gz WPIUUOHZSQRZDV-PMACEKPBSA-N 1 3 332.488 2.284 10 0 EEAEHO CN1CC[C@@H](NC(=O)NCC2(C)CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000572380889 468926345 /nfs/dbraw/zinc/92/63/45/468926345.db2.gz BHAJJJFSLHATNI-IAGOWNOFSA-N 1 3 330.476 2.121 10 0 EEAEHO COC(=O)c1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000593322227 468938317 /nfs/dbraw/zinc/93/83/17/468938317.db2.gz LVHFRZSKJINQDS-KZNAEPCWSA-N 1 3 332.444 2.334 10 0 EEAEHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000572974607 469034747 /nfs/dbraw/zinc/03/47/47/469034747.db2.gz BULSBYCTLBZQRB-APWZRJJASA-N 1 3 344.503 2.257 10 0 EEAEHO COC(=O)[C@@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000611255643 469211070 /nfs/dbraw/zinc/21/10/70/469211070.db2.gz SCMRZIDZINNJRS-QGZVFWFLSA-N 1 3 332.444 2.156 10 0 EEAEHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000618547110 469385807 /nfs/dbraw/zinc/38/58/07/469385807.db2.gz BWANEHBBXGFELK-QZTJIDSGSA-N 1 3 332.492 2.463 10 0 EEAEHO CN1CCC[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000618551841 469386294 /nfs/dbraw/zinc/38/62/94/469386294.db2.gz KHENOUWMFZMCIP-LJQANCHMSA-N 1 3 344.503 2.087 10 0 EEAEHO C[NH2+]CCOCCN[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000629529122 469572991 /nfs/dbraw/zinc/57/29/91/469572991.db2.gz SADAGKAIZLNILY-NSHDSACASA-N 1 3 331.254 2.344 10 0 EEAEHO C[N@@H+]1CC[C@H](NCCN2CCN(c3ccccc3)CC2)CC1(C)C ZINC000623350816 469632140 /nfs/dbraw/zinc/63/21/40/469632140.db2.gz URRDHIZFDAUGHZ-SFHVURJKSA-N 1 3 330.520 2.271 10 0 EEAEHO C[N@H+]1CC[C@H](NCCN2CCN(c3ccccc3)CC2)CC1(C)C ZINC000623350816 469632145 /nfs/dbraw/zinc/63/21/45/469632145.db2.gz URRDHIZFDAUGHZ-SFHVURJKSA-N 1 3 330.520 2.271 10 0 EEAEHO CN(c1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1)S(C)(=O)=O ZINC000623414938 469650817 /nfs/dbraw/zinc/65/08/17/469650817.db2.gz VMCDCRKGHSXPSG-HNNXBMFYSA-N 1 3 339.505 2.045 10 0 EEAEHO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000607241324 469677826 /nfs/dbraw/zinc/67/78/26/469677826.db2.gz IEZUGURGUISNLC-IRXDYDNUSA-N 1 3 326.529 2.336 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(c2ccccc2)CCC1 ZINC000617504263 469700888 /nfs/dbraw/zinc/70/08/88/469700888.db2.gz NHBGBIVCDADUSY-KRWDZBQOSA-N 1 3 331.504 2.497 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(c2ccccc2)CCC1 ZINC000617504263 469700891 /nfs/dbraw/zinc/70/08/91/469700891.db2.gz NHBGBIVCDADUSY-KRWDZBQOSA-N 1 3 331.504 2.497 10 0 EEAEHO Cc1ccc(OCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)c1 ZINC000617503642 469700911 /nfs/dbraw/zinc/70/09/11/469700911.db2.gz SCGMDSDLHICOCY-KRWDZBQOSA-N 1 3 335.492 2.070 10 0 EEAEHO Cc1ccc(OCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)c1 ZINC000617503642 469700915 /nfs/dbraw/zinc/70/09/15/469700915.db2.gz SCGMDSDLHICOCY-KRWDZBQOSA-N 1 3 335.492 2.070 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CNc1cccc(Cl)c1 ZINC000617504780 469702911 /nfs/dbraw/zinc/70/29/11/469702911.db2.gz KBUWYRADHOMIKQ-AWEZNQCLSA-N 1 3 340.899 2.140 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CNc1cccc(Cl)c1 ZINC000617504780 469702915 /nfs/dbraw/zinc/70/29/15/469702915.db2.gz KBUWYRADHOMIKQ-AWEZNQCLSA-N 1 3 340.899 2.140 10 0 EEAEHO CC(C)[C@@H]1C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000617506690 469706701 /nfs/dbraw/zinc/70/67/01/469706701.db2.gz WGEJVGQFSZMRBG-KSZLIROESA-N 1 3 341.540 2.216 10 0 EEAEHO CC(C)[C@@H]1C[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000617506690 469706706 /nfs/dbraw/zinc/70/67/06/469706706.db2.gz WGEJVGQFSZMRBG-KSZLIROESA-N 1 3 341.540 2.216 10 0 EEAEHO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N3CCN(CC)CC3)cc2)C1 ZINC000619900492 469707482 /nfs/dbraw/zinc/70/74/82/469707482.db2.gz VTYVQRSHFBQOQY-GOSISDBHSA-N 1 3 344.503 2.043 10 0 EEAEHO CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(N3CCN(CC)CC3)cc2)C1 ZINC000619900492 469707488 /nfs/dbraw/zinc/70/74/88/469707488.db2.gz VTYVQRSHFBQOQY-GOSISDBHSA-N 1 3 344.503 2.043 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000626918141 469753476 /nfs/dbraw/zinc/75/34/76/469753476.db2.gz PHXKMJNOSRBCDU-ZWKOTPCHSA-N 1 3 330.476 2.091 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000626934382 469760868 /nfs/dbraw/zinc/76/08/68/469760868.db2.gz FUWJRLWRESFGSX-KSZLIROESA-N 1 3 330.476 2.263 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000626979008 469775402 /nfs/dbraw/zinc/77/54/02/469775402.db2.gz NTPWBIBZFPQWPM-OKZBNKHCSA-N 1 3 330.476 2.091 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000627167463 469831851 /nfs/dbraw/zinc/83/18/51/469831851.db2.gz FVRQXPLGIAWAIF-RBUKOAKNSA-N 1 3 344.503 2.433 10 0 EEAEHO CN1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000617911920 469836212 /nfs/dbraw/zinc/83/62/12/469836212.db2.gz SFNTUKJZERQXTG-GOSISDBHSA-N 1 3 330.476 2.044 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)N(CCCc2ccccc2)CCN(C)C)C[NH2+]1 ZINC000627195500 469840895 /nfs/dbraw/zinc/84/08/95/469840895.db2.gz LGCUVNKDYFNEKF-IEBWSBKVSA-N 1 3 346.519 2.333 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000627240296 469853957 /nfs/dbraw/zinc/85/39/57/469853957.db2.gz TXHCZXCAHVFWIF-XYJFISCASA-N 1 3 330.476 2.043 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634724079 470286972 /nfs/dbraw/zinc/28/69/72/470286972.db2.gz JJGXAWMUHWFCBR-XRULBBBTSA-N 1 3 346.515 2.256 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634724079 470286973 /nfs/dbraw/zinc/28/69/73/470286973.db2.gz JJGXAWMUHWFCBR-XRULBBBTSA-N 1 3 346.515 2.256 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634724079 470286974 /nfs/dbraw/zinc/28/69/74/470286974.db2.gz JJGXAWMUHWFCBR-XRULBBBTSA-N 1 3 346.515 2.256 10 0 EEAEHO Cc1cc(NC(=O)N2CCCCC[C@@H]([NH3+])C2)n(C2CCN(C)CC2)n1 ZINC000632920401 470287473 /nfs/dbraw/zinc/28/74/73/470287473.db2.gz ZDGXLTRPDTYEDS-OAHLLOKOSA-N 1 3 348.495 2.193 10 0 EEAEHO [NH3+]C1CCC(OCC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000645995656 470487305 /nfs/dbraw/zinc/48/73/05/470487305.db2.gz BYCBVBOVNFJUQF-XBMUEBEBSA-N 1 3 345.487 2.054 10 0 EEAEHO COc1cc(Br)c(CNCCC2(C[NH3+])CC2)cc1O ZINC000650713258 470949099 /nfs/dbraw/zinc/94/90/99/470949099.db2.gz MEMXIOPKGKOBIN-UHFFFAOYSA-N 1 3 329.238 2.382 10 0 EEAEHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cccc3c2OCCO3)C1 ZINC000650722472 470950645 /nfs/dbraw/zinc/95/06/45/470950645.db2.gz UTTGXNBDQISFPB-NUJGCVRESA-N 1 3 332.444 2.319 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654532621 471057982 /nfs/dbraw/zinc/05/79/82/471057982.db2.gz YTLULZPRAPODPN-KANFNMMFSA-N 1 3 344.503 2.146 10 0 EEAEHO CCN1CCN(C[C@H](C)C[NH2+]Cc2c(C3CCC3)cnn2C)CC1 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CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](NCc2ccccn2)C(C)C)C1 ZINC001482551031 1186658202 /nfs/dbraw/zinc/65/82/02/1186658202.db2.gz WDJCGVCWXVQGJK-PKOBYXMFSA-N 1 3 346.519 2.434 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](NCc2ccccn2)C(C)C)C1 ZINC001482551031 1186658208 /nfs/dbraw/zinc/65/82/08/1186658208.db2.gz WDJCGVCWXVQGJK-PKOBYXMFSA-N 1 3 346.519 2.434 10 0 EEAEHO Cc1ccccc1C[NH+]1CC([C@H](C)NC(=O)CN2CC[C@H](C)C2)C1 ZINC001409938882 1193484189 /nfs/dbraw/zinc/48/41/89/1193484189.db2.gz XUHMXWPVVVNGQK-RDJZCZTQSA-N 1 3 329.488 2.273 10 0 EEAEHO CCn1ccc(CNCC[C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)n1 ZINC001482875848 1187795508 /nfs/dbraw/zinc/79/55/08/1187795508.db2.gz BPEUOUVGZRHNRU-DLBZAZTESA-N 1 3 349.523 2.152 10 0 EEAEHO CCc1ccccc1C[NH2+]C/C=C\CNC(=O)CN1CC[C@@H](C)C1 ZINC001483059488 1188352959 /nfs/dbraw/zinc/35/29/59/1188352959.db2.gz SMBLEWHSCVWGHI-JTGQJZMRSA-N 1 3 329.488 2.353 10 0 EEAEHO C[C@H](C[NH2+]Cc1cccc(N(C)C)c1)NC(=O)CN(C)CC(C)(C)C ZINC001483166930 1189003251 /nfs/dbraw/zinc/00/32/51/1189003251.db2.gz QOVZLUHGBPZKSS-MRXNPFEDSA-N 1 3 348.535 2.325 10 0 EEAEHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001409432598 1189665585 /nfs/dbraw/zinc/66/55/85/1189665585.db2.gz MJJQDJDCUGDTJN-JKSUJKDBSA-N 1 3 331.504 2.500 10 0 EEAEHO COc1ccc(C[N@H+](C)C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001483384918 1190433658 /nfs/dbraw/zinc/43/36/58/1190433658.db2.gz SUTLLFIASBTGSP-WBVHZDCISA-N 1 3 347.503 2.282 10 0 EEAEHO COc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001483384918 1190433660 /nfs/dbraw/zinc/43/36/60/1190433660.db2.gz SUTLLFIASBTGSP-WBVHZDCISA-N 1 3 347.503 2.282 10 0 EEAEHO CN(CCC[NH2+][C@@H]1CCc2ccc(F)cc21)C(=O)Cc1c[nH]cn1 ZINC001483494109 1190511403 /nfs/dbraw/zinc/51/14/03/1190511403.db2.gz CFYFRVQPDUZKNL-QGZVFWFLSA-N 1 3 330.407 2.217 10 0 EEAEHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]Cc1cnc(C)o1 ZINC001483621349 1190604856 /nfs/dbraw/zinc/60/48/56/1190604856.db2.gz GXLNGCBDWCBONV-NVXWUHKLSA-N 1 3 336.480 2.040 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)cc1 ZINC001486131637 1193690187 /nfs/dbraw/zinc/69/01/87/1193690187.db2.gz XUYSFQKLWCGNOZ-QZTJIDSGSA-N 1 3 345.487 2.049 10 0 EEAEHO CCCC[C@H](CNCc1scnc1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001409843975 1190676276 /nfs/dbraw/zinc/67/62/76/1190676276.db2.gz OGCCXJUFNNYIPU-HUUCEWRRSA-N 1 3 338.521 2.168 10 0 EEAEHO CCCC[C@H](CNCc1scnc1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001409843975 1190676280 /nfs/dbraw/zinc/67/62/80/1190676280.db2.gz OGCCXJUFNNYIPU-HUUCEWRRSA-N 1 3 338.521 2.168 10 0 EEAEHO Cc1cncc(C[NH2+]CC[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001272654162 1190965322 /nfs/dbraw/zinc/96/53/22/1190965322.db2.gz VYGWKKMSYPDEGZ-KRWDZBQOSA-N 1 3 332.492 2.058 10 0 EEAEHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]C/C=C\c1ccccc1 ZINC001483955894 1191130458 /nfs/dbraw/zinc/13/04/58/1191130458.db2.gz VDKUBZVSJZKTBN-SMTIMMHKSA-N 1 3 327.472 2.376 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H]1C[N@H+](CC[C@H](C)F)CCC1(F)F ZINC001484197533 1191269291 /nfs/dbraw/zinc/26/92/91/1191269291.db2.gz ISBIIHORNBLUQF-KBPBESRZSA-N 1 3 337.430 2.148 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H]1C[N@@H+](CC[C@H](C)F)CCC1(F)F ZINC001484197533 1191269293 /nfs/dbraw/zinc/26/92/93/1191269293.db2.gz ISBIIHORNBLUQF-KBPBESRZSA-N 1 3 337.430 2.148 10 0 EEAEHO O=C(CN1CCCC1)N1CC[C@H](CC[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001484549539 1191409408 /nfs/dbraw/zinc/40/94/08/1191409408.db2.gz KATRYZQUBBQKKC-HOTGVXAUSA-N 1 3 343.462 2.346 10 0 EEAEHO Cc1cccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001486220530 1193758297 /nfs/dbraw/zinc/75/82/97/1193758297.db2.gz MLGUMQVBGRNNDA-IRXDYDNUSA-N 1 3 332.492 2.105 10 0 EEAEHO COc1cccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001486221549 1193759072 /nfs/dbraw/zinc/75/90/72/1193759072.db2.gz TUHBBKHLZVVLMG-QZTJIDSGSA-N 1 3 347.503 2.410 10 0 EEAEHO C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCN(Cc2cccnc2)CC1 ZINC001486449512 1193964002 /nfs/dbraw/zinc/96/40/02/1193964002.db2.gz HQWOGIGAXOUHOZ-IRXDYDNUSA-N 1 3 344.503 2.140 10 0 EEAEHO C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCN(Cc2cccnc2)CC1 ZINC001486449512 1193964007 /nfs/dbraw/zinc/96/40/07/1193964007.db2.gz HQWOGIGAXOUHOZ-IRXDYDNUSA-N 1 3 344.503 2.140 10 0 EEAEHO COC[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001486449147 1193964132 /nfs/dbraw/zinc/96/41/32/1193964132.db2.gz PWLRPFSQPIJBIZ-CVEARBPZSA-N 1 3 341.540 2.216 10 0 EEAEHO COC(=O)c1cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1C ZINC000872143742 1198053143 /nfs/dbraw/zinc/05/31/43/1198053143.db2.gz XAWLHLDVAOLXNT-MSOLQXFVSA-N 1 3 332.444 2.110 10 0 EEAEHO CC(C)(C)S(=O)(=O)CCCN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000872144516 1198054353 /nfs/dbraw/zinc/05/43/53/1198054353.db2.gz GWMCPTMCOQXIEB-MRXNPFEDSA-N 1 3 330.538 2.301 10 0 EEAEHO [NH3+][C@H](C[C@H]1CCCN(C[C@@H]2CCS(=O)(=O)C2)C1)C1CCCC1 ZINC000872155988 1198062239 /nfs/dbraw/zinc/06/22/39/1198062239.db2.gz BZRNINBQIDZIQK-HLLBOEOZSA-N 1 3 328.522 2.041 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000810174373 1199330834 /nfs/dbraw/zinc/33/08/34/1199330834.db2.gz SEVOBMKWYKWWSD-YJBOKZPZSA-N 1 3 325.472 2.286 10 0 EEAEHO Cc1cccc(CN2CCO[C@H](CNC3CC[NH+](C4CC4)CC3)C2)c1 ZINC000866557034 1201547655 /nfs/dbraw/zinc/54/76/55/1201547655.db2.gz GTFXTOVJHODJHO-OAQYLSRUSA-N 1 3 343.515 2.412 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001274252967 1204977788 /nfs/dbraw/zinc/97/77/88/1204977788.db2.gz GQAVDLQGKIIZKV-SNAWJCMRSA-N 1 3 330.476 2.026 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)N1CCCC[C@H]1C[NH2+]C/C=C\Cl ZINC001275003958 1205232039 /nfs/dbraw/zinc/23/20/39/1205232039.db2.gz HFERLKMUXZRXSM-SKJVMOOOSA-N 1 3 333.879 2.390 10 0 EEAEHO CN(CCC[NH2+][C@@H]1CCc2ccc(F)cc21)C(=O)[C@H]1CCCN1C ZINC001275914899 1205583848 /nfs/dbraw/zinc/58/38/48/1205583848.db2.gz GOFSPWWTEJXBCQ-QZTJIDSGSA-N 1 3 333.451 2.345 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@H+](C)[C@H]3C)cc2)CC1 ZINC000925312300 1206094253 /nfs/dbraw/zinc/09/42/53/1206094253.db2.gz HRFAGLPMOYGSBG-MAUKXSAKSA-N 1 3 345.491 2.043 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[N@@H+](C)[C@H]3C)cc2)CC1 ZINC000925312300 1206094256 /nfs/dbraw/zinc/09/42/56/1206094256.db2.gz HRFAGLPMOYGSBG-MAUKXSAKSA-N 1 3 345.491 2.043 10 0 EEAEHO COCCN1CC[C@H]([NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000383079914 1241368749 /nfs/dbraw/zinc/36/87/49/1241368749.db2.gz SVVQHIZQNVLLKZ-VQTJNVASSA-N 1 3 331.504 2.209 10 0 EEAEHO CC(=O)c1ccc2c(c1)CCN(C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903757059 1241850471 /nfs/dbraw/zinc/85/04/71/1241850471.db2.gz BCSFQMOVFQQNME-VQTJNVASSA-N 1 3 328.456 2.058 10 0 EEAEHO COc1ccc(OC)c2c1CN(CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C[C@@H]2O ZINC000903877639 1242283501 /nfs/dbraw/zinc/28/35/01/1242283501.db2.gz OHDQCLZIITVIPR-HUORLRHWSA-N 1 3 332.444 2.083 10 0 EEAEHO Clc1ccc(CCNCc2cnnn2[C@@H]2CCC[NH2+]C2)s1 ZINC000903923614 1242515830 /nfs/dbraw/zinc/51/58/30/1242515830.db2.gz YLMPHHSDFFQYMU-LLVKDONJSA-N 1 3 325.869 2.250 10 0 EEAEHO C[C@@H]1CN(Cc2cc3c(cc2OC(F)F)OCO3)C[C@H]1CC[NH3+] ZINC000903976856 1242826573 /nfs/dbraw/zinc/82/65/73/1242826573.db2.gz FAIRAGPLBGOHND-GHMZBOCLSA-N 1 3 328.359 2.433 10 0 EEAEHO c1cc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)n(-c2ccncc2)n1 ZINC000850134822 1277056609 /nfs/dbraw/zinc/05/66/09/1277056609.db2.gz GRQBDVOWBSJJII-LJQANCHMSA-N 1 3 341.459 2.000 10 0 EEAEHO C[C@H](N[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1)c1ccc(F)cc1F ZINC001488770116 1290183252 /nfs/dbraw/zinc/18/32/52/1290183252.db2.gz DFUIRDBXMLAGLB-KCQAQPDRSA-N 1 3 339.430 2.462 10 0 EEAEHO CCOCCN1CCC(N(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001490422768 1291334376 /nfs/dbraw/zinc/33/43/76/1291334376.db2.gz SLPVHUOPWOUMQC-AEFFLSMTSA-N 1 3 339.524 2.066 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC001491124847 1299609925 /nfs/dbraw/zinc/60/99/25/1299609925.db2.gz BQPSSNXOIKVCSI-QZTJIDSGSA-N 1 3 347.478 2.496 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC001491124847 1299609927 /nfs/dbraw/zinc/60/99/27/1299609927.db2.gz BQPSSNXOIKVCSI-QZTJIDSGSA-N 1 3 347.478 2.496 10 0 EEAEHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CCc3cccs3)C2)C1 ZINC001277046364 1301008101 /nfs/dbraw/zinc/00/81/01/1301008101.db2.gz PEUQEJWHGVIKBC-JYJNAYRXSA-N 1 3 335.517 2.117 10 0 EEAEHO Cc1ncc(CNCCC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)o1 ZINC001277314457 1302323321 /nfs/dbraw/zinc/32/33/21/1302323321.db2.gz QJTKKSDKXJGEMB-AWEZNQCLSA-N 1 3 336.480 2.089 10 0 EEAEHO CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC001413819080 1303143685 /nfs/dbraw/zinc/14/36/85/1303143685.db2.gz QLWKSFJRSZTZJM-JQHSSLGASA-N 1 3 332.492 2.413 10 0 EEAEHO CC[N@@H+](C)[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC001413819080 1303143694 /nfs/dbraw/zinc/14/36/94/1303143694.db2.gz QLWKSFJRSZTZJM-JQHSSLGASA-N 1 3 332.492 2.413 10 0 EEAEHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001277995664 1305630588 /nfs/dbraw/zinc/63/05/88/1305630588.db2.gz UBARBZKQEGKKND-CYBMUJFWSA-N 1 3 326.872 2.013 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCOc2ccc(C)cc2)[C@@H]1C ZINC001278314437 1309335342 /nfs/dbraw/zinc/33/53/42/1309335342.db2.gz DVBCZEPIBSDYLU-PKOBYXMFSA-N 1 3 347.503 2.295 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N(C2CC2)C2CC[NH2+]CC2)cc(Cl)n1 ZINC000841847112 1315622107 /nfs/dbraw/zinc/62/21/07/1315622107.db2.gz ZJOVRXXSSIXVGM-HNNXBMFYSA-N 1 3 336.867 2.176 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NCc2ccc3c(c2)C[NH2+]C3)cc(Cl)n1 ZINC000841851148 1315623179 /nfs/dbraw/zinc/62/31/79/1315623179.db2.gz GDWGJUDGGAUEPH-MRXNPFEDSA-N 1 3 344.846 2.353 10 0 EEAEHO COc1ccc(NC(=O)[C@H]2CCCN2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000842472318 1315711666 /nfs/dbraw/zinc/71/16/66/1315711666.db2.gz WKDHRAHTAGSVFT-CRAIPNDOSA-N 1 3 331.460 2.488 10 0 EEAEHO C[C@H](NCc1nccs1)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001279038057 1319059591 /nfs/dbraw/zinc/05/95/91/1319059591.db2.gz DNBJVNISDWJLFG-LSDHHAIUSA-N 1 3 338.521 2.202 10 0 EEAEHO COCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001263920953 1322554722 /nfs/dbraw/zinc/55/47/22/1322554722.db2.gz BACTXRIWPBHQBC-KSZLIROESA-N 1 3 339.524 2.160 10 0 EEAEHO CCCCOCCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001264157921 1322644807 /nfs/dbraw/zinc/64/48/07/1322644807.db2.gz YCBQODVCZDWFTM-MHORFTMASA-N 1 3 339.524 2.112 10 0 EEAEHO CCCCOCCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001264157921 1322644816 /nfs/dbraw/zinc/64/48/16/1322644816.db2.gz YCBQODVCZDWFTM-MHORFTMASA-N 1 3 339.524 2.112 10 0 EEAEHO COCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@H]1C ZINC001264721129 1322792598 /nfs/dbraw/zinc/79/25/98/1322792598.db2.gz GSMNXNRZBZWUSS-KURKYZTESA-N 1 3 339.524 2.257 10 0 EEAEHO COCCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@H]1C ZINC001264721129 1322792603 /nfs/dbraw/zinc/79/26/03/1322792603.db2.gz GSMNXNRZBZWUSS-KURKYZTESA-N 1 3 339.524 2.257 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1c(C)nsc1C ZINC001265145881 1322947713 /nfs/dbraw/zinc/94/77/13/1322947713.db2.gz DLQRQODXYMNRPG-HNNXBMFYSA-N 1 3 338.521 2.040 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1c(C)nsc1C ZINC001265145881 1322947716 /nfs/dbraw/zinc/94/77/16/1322947716.db2.gz DLQRQODXYMNRPG-HNNXBMFYSA-N 1 3 338.521 2.040 10 0 EEAEHO CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001265623857 1323275658 /nfs/dbraw/zinc/27/56/58/1323275658.db2.gz FZIANHFVCDMTET-MAUKXSAKSA-N 1 3 327.488 2.437 10 0 EEAEHO COCCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001265702655 1323336888 /nfs/dbraw/zinc/33/68/88/1323336888.db2.gz GKGKQYCDOAKOOI-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO COCCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001265702655 1323336894 /nfs/dbraw/zinc/33/68/94/1323336894.db2.gz GKGKQYCDOAKOOI-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)OCC[NH2+]C1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001265734004 1323355248 /nfs/dbraw/zinc/35/52/48/1323355248.db2.gz KPDNXXDRJCJADR-DAWZGUTISA-N 1 3 339.524 2.301 10 0 EEAEHO CC[C@@H](C(=O)NCCC[N@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001265925301 1323491023 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CCCN(C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001282927910 1325838902 /nfs/dbraw/zinc/83/89/02/1325838902.db2.gz IKIPQWHZQXEVGH-WMZOPIPTSA-N 1 3 337.508 2.034 10 0 EEAEHO Cc1cccc(CCC[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C)c1 ZINC001283913360 1326317686 /nfs/dbraw/zinc/31/76/86/1326317686.db2.gz KZYJVQQWOYIMKU-VQIMIIECSA-N 1 3 340.471 2.472 10 0 EEAEHO Cc1ccc(F)cc1C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001491858992 1330276790 /nfs/dbraw/zinc/27/67/90/1330276790.db2.gz NSBKVHXYNOYPLA-MRXNPFEDSA-N 1 3 335.467 2.412 10 0 EEAEHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccncc1Cl ZINC001492082547 1330990873 /nfs/dbraw/zinc/99/08/73/1330990873.db2.gz DBXXBAGGLYQITN-ZIAGYGMSSA-N 1 3 338.883 2.061 10 0 EEAEHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN(Cc2c(C)nsc2C)C1 ZINC001493254987 1331186092 /nfs/dbraw/zinc/18/60/92/1331186092.db2.gz ZYKPLKDTDMFRKI-OAHLLOKOSA-N 1 3 338.521 2.040 10 0 EEAEHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN(Cc2c(C)nsc2C)C1 ZINC001493254987 1331186093 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CCC[N@H+]1CCC[C@H](C(=O)N[C@H](CNCCF)C2CCCC2)C1 ZINC001671548466 1356360423 /nfs/dbraw/zinc/36/04/23/1356360423.db2.gz MFYKCTITQFDCJR-DLBZAZTESA-N 1 3 327.488 2.343 10 0 EEAEHO Cc1cc(CNCCCN(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)on1 ZINC001699545512 1405380287 /nfs/dbraw/zinc/38/02/87/1405380287.db2.gz SUEDLRTVHIMEQT-CVEARBPZSA-N 1 3 336.480 2.042 10 0 EEAEHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923455416 789572043 /nfs/dbraw/zinc/57/20/43/789572043.db2.gz LQHRQHVBNCZXMO-AEFFLSMTSA-N 1 3 345.487 2.036 10 0 EEAEHO CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000846178733 790080373 /nfs/dbraw/zinc/08/03/73/790080373.db2.gz XTKHWJBANLIUNN-SFHVURJKSA-N 1 3 332.492 2.151 10 0 EEAEHO CC(C)C[N@@H+](C)CCCNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000846178733 790080379 /nfs/dbraw/zinc/08/03/79/790080379.db2.gz XTKHWJBANLIUNN-SFHVURJKSA-N 1 3 332.492 2.151 10 0 EEAEHO CC(C)[C@@H](C(=O)OC[C@@H]1CN(C(C)C)CCO1)[NH+]1CCCCC1 ZINC000789773090 808209465 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C[C@H]1CCN(CC(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCC(C)(C)C)C[C@H]32)C1 ZINC001506814552 1114891801 /nfs/dbraw/zinc/89/18/01/1114891801.db2.gz YOCSSCLVOGJANT-XLAORIBOSA-N 1 3 335.536 2.449 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC[C@@H]2[C@H]3C[N@H+](CCCC(C)(C)C)C[C@H]32)C1 ZINC001506814552 1114891805 /nfs/dbraw/zinc/89/18/05/1114891805.db2.gz YOCSSCLVOGJANT-XLAORIBOSA-N 1 3 335.536 2.449 10 0 EEAEHO C[C@H](C(=O)NC[C@H](CO)[NH2+]CCCC(C)(C)C)N1CCCCCC1 ZINC001507244959 1115159583 /nfs/dbraw/zinc/15/95/83/1115159583.db2.gz YPXXMRKSJPNISZ-IAGOWNOFSA-N 1 3 341.540 2.144 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C)nc2C)C[C@H]1C ZINC001507329481 1115195436 /nfs/dbraw/zinc/19/54/36/1115195436.db2.gz VJWOOWIFUJLSJJ-CRAIPNDOSA-N 1 3 332.492 2.119 10 0 EEAEHO CC[C@H](C(=O)N(C)C1CC([NH2+]CCOc2cccc(C)c2)C1)N(C)C ZINC001508140885 1115426619 /nfs/dbraw/zinc/42/66/19/1115426619.db2.gz LMNOKEMVHXAIDD-FAFZWHIHSA-N 1 3 347.503 2.293 10 0 EEAEHO Cc1csc(CNCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)n1 ZINC001568630399 1124644913 /nfs/dbraw/zinc/64/49/13/1124644913.db2.gz BUCCRAOGNPNSJA-UKRRQHHQSA-N 1 3 338.521 2.309 10 0 EEAEHO Cc1csc(CNCC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)n1 ZINC001568630399 1124644916 /nfs/dbraw/zinc/64/49/16/1124644916.db2.gz BUCCRAOGNPNSJA-UKRRQHHQSA-N 1 3 338.521 2.309 10 0 EEAEHO C[C@H](CCNCc1cccc(F)c1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001568671638 1124685294 /nfs/dbraw/zinc/68/52/94/1124685294.db2.gz VTCPEWOZCHTHCI-CYBMUJFWSA-N 1 3 339.430 2.291 10 0 EEAEHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccc2c1CCOC2)N(C)C ZINC001568680002 1124691297 /nfs/dbraw/zinc/69/12/97/1124691297.db2.gz WMBZUMTWMPHPMJ-BEFAXECRSA-N 1 3 347.503 2.084 10 0 EEAEHO CCN(CCNCc1cccnc1C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001568788374 1124800652 /nfs/dbraw/zinc/80/06/52/1124800652.db2.gz KNLREUGWIWDDDP-UHFFFAOYSA-N 1 3 346.519 2.449 10 0 EEAEHO Cc1ncsc1CNC/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568899153 1124926411 /nfs/dbraw/zinc/92/64/11/1124926411.db2.gz TWXYYHLFPDOSGF-SNAWJCMRSA-N 1 3 336.505 2.088 10 0 EEAEHO Cc1cc(F)ccc1C[NH2+]C/C=C\CNC(=O)CN1CC[C@@H](C)C1 ZINC001568920461 1124949086 /nfs/dbraw/zinc/94/90/86/1124949086.db2.gz VYUVUSMFCGIEKU-ABCZVMIZSA-N 1 3 333.451 2.238 10 0 EEAEHO C[C@@H](C(=O)NC/C=C/CNCc1cccnc1)[NH+]1CCCCCC1 ZINC001568927980 1124958027 /nfs/dbraw/zinc/95/80/27/1124958027.db2.gz FVBWREOAPXCZJN-BDUNBXCCSA-N 1 3 330.476 2.108 10 0 EEAEHO O=C(NC/C=C/CN[C@H]1CCc2c1cccc2F)C12CC[NH+](CC1)C2 ZINC001568949617 1124982969 /nfs/dbraw/zinc/98/29/69/1124982969.db2.gz FMFSZHLMTGSVPZ-KROLTMCQSA-N 1 3 343.446 2.171 10 0 EEAEHO CCOCC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC ZINC001569339953 1125240571 /nfs/dbraw/zinc/24/05/71/1125240571.db2.gz HEPCTIJMFDFBIX-IAGOWNOFSA-N 1 3 341.540 2.218 10 0 EEAEHO CCN1CCN(CC[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000053937279 214205867 /nfs/dbraw/zinc/20/58/67/214205867.db2.gz FAHGUJLAHIDZSW-OAHLLOKOSA-N 1 3 326.282 2.477 10 0 EEAEHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000340094457 539823434 /nfs/dbraw/zinc/82/34/34/539823434.db2.gz LEDYLNSZUNMZQG-SZMVWBNQSA-N 1 3 332.492 2.461 10 0 EEAEHO CCC[NH+](CCC)CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000364214520 283214061 /nfs/dbraw/zinc/21/40/61/283214061.db2.gz LJIPVNQYCUCZPC-FRQCXROJSA-N 1 3 339.524 2.147 10 0 EEAEHO c1csc(CN2CCC(C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)CC2)c1 ZINC000422827805 240247960 /nfs/dbraw/zinc/24/79/60/240247960.db2.gz NLJFEJFTOWBTNH-MOPGFXCFSA-N 1 3 349.544 2.317 10 0 EEAEHO COC[C@H](CCC[NH3+])NCc1cc(OC)ccc1Br ZINC000422935601 240299346 /nfs/dbraw/zinc/29/93/46/240299346.db2.gz LCTLLJXJQFQTBA-LBPRGKRZSA-N 1 3 331.254 2.301 10 0 EEAEHO C[C@@H](CC[NH2+]CCN1C(=O)c2ccccc2C1=O)N1CCCCC1 ZINC000446760838 242217954 /nfs/dbraw/zinc/21/79/54/242217954.db2.gz VVIIOEITGHIKAM-HNNXBMFYSA-N 1 3 329.444 2.137 10 0 EEAEHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000246419526 243250566 /nfs/dbraw/zinc/25/05/66/243250566.db2.gz VMPUCLRSGPHBTH-NZSAHSFTSA-N 1 3 346.519 2.141 10 0 EEAEHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000246419526 243250573 /nfs/dbraw/zinc/25/05/73/243250573.db2.gz VMPUCLRSGPHBTH-NZSAHSFTSA-N 1 3 346.519 2.141 10 0 EEAEHO CN1CCN(CCCCN2Cc3c(cccc3Cl)[C@H]2C[NH3+])CC1 ZINC000071683249 203104268 /nfs/dbraw/zinc/10/42/68/203104268.db2.gz MAWOQDOMZUZLAN-GOSISDBHSA-N 1 3 336.911 2.183 10 0 EEAEHO C[N@H+](CCN1CCOCC1)C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000075142479 203306948 /nfs/dbraw/zinc/30/69/48/203306948.db2.gz HMNQXKGNCURWJX-WCRBZPEASA-N 1 3 343.515 2.446 10 0 EEAEHO C[N@@H+](CCN1CCOCC1)C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000075142479 203306950 /nfs/dbraw/zinc/30/69/50/203306950.db2.gz HMNQXKGNCURWJX-WCRBZPEASA-N 1 3 343.515 2.446 10 0 EEAEHO C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268541181 252008887 /nfs/dbraw/zinc/00/88/87/252008887.db2.gz TUJUSGHMYZLYLN-SJLPKXTDSA-N 1 3 332.492 2.243 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)CC1 ZINC000072816922 292168687 /nfs/dbraw/zinc/16/86/87/292168687.db2.gz IHABAVBJRQOPBJ-UHFFFAOYSA-N 1 3 344.503 2.044 10 0 EEAEHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000377201953 154085400 /nfs/dbraw/zinc/08/54/00/154085400.db2.gz RBQAWWPNVHYVOS-OALUTQOASA-N 1 3 346.519 2.439 10 0 EEAEHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000377201953 154085404 /nfs/dbraw/zinc/08/54/04/154085404.db2.gz RBQAWWPNVHYVOS-OALUTQOASA-N 1 3 346.519 2.439 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173892141 287265812 /nfs/dbraw/zinc/26/58/12/287265812.db2.gz CCQNFDPVINEHEC-MSOLQXFVSA-N 1 3 334.508 2.297 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173892141 287265817 /nfs/dbraw/zinc/26/58/17/287265817.db2.gz CCQNFDPVINEHEC-MSOLQXFVSA-N 1 3 334.508 2.297 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)[NH+](CC)CC ZINC000275572479 269125847 /nfs/dbraw/zinc/12/58/47/269125847.db2.gz FIGVAUQKSRDXKC-RTBURBONSA-N 1 3 346.519 2.482 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)CCc2c(C)nc3ccccn3c2=O)[C@@H](C)C1 ZINC000289397614 275113598 /nfs/dbraw/zinc/11/35/98/275113598.db2.gz RYZSHXFHPHUFAY-YJBOKZPZSA-N 1 3 342.487 2.208 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)CCc2c(C)nc3ccccn3c2=O)[C@@H](C)C1 ZINC000289397614 275113599 /nfs/dbraw/zinc/11/35/99/275113599.db2.gz RYZSHXFHPHUFAY-YJBOKZPZSA-N 1 3 342.487 2.208 10 0 EEAEHO COC[C@H](CCC[NH3+])NCc1cccc(NC(=O)c2ccccn2)c1 ZINC000422718253 293097074 /nfs/dbraw/zinc/09/70/74/293097074.db2.gz WUUDQSJVVIWGJI-KRWDZBQOSA-N 1 3 342.443 2.177 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@H](NCCNC(=O)c2ccccc2)[C@@H](C)C1 ZINC000343150599 312265826 /nfs/dbraw/zinc/26/58/26/312265826.db2.gz LFBDJQDEIMYOAO-HKUYNNGSSA-N 1 3 347.503 2.143 10 0 EEAEHO CCOCCC[N@H+]1CC[C@H](NCCNC(=O)c2ccccc2)[C@@H](C)C1 ZINC000343150599 312265828 /nfs/dbraw/zinc/26/58/28/312265828.db2.gz LFBDJQDEIMYOAO-HKUYNNGSSA-N 1 3 347.503 2.143 10 0 EEAEHO Fc1cc(-c2ccncc2)ccc1CNCCCN1CC[NH2+]CC1 ZINC000414785246 313088486 /nfs/dbraw/zinc/08/84/86/313088486.db2.gz USTZULNCKTXZAT-UHFFFAOYSA-N 1 3 328.435 2.273 10 0 EEAEHO CN(CCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000416878427 313345329 /nfs/dbraw/zinc/34/53/29/313345329.db2.gz WCURHFMGPQOCJY-DFNIBXOVSA-N 1 3 344.503 2.433 10 0 EEAEHO CC(C)[NH+](CCNC(=O)N1CCc2ccccc2[C@H]1CN)C(C)C ZINC000563621571 319031310 /nfs/dbraw/zinc/03/13/10/319031310.db2.gz ANTFEOCXSVMEGV-GOSISDBHSA-N 1 3 332.492 2.373 10 0 EEAEHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCc2ccccc2[C@H]1CN ZINC000566191741 319258336 /nfs/dbraw/zinc/25/83/36/319258336.db2.gz CJWVGNKCCJXLJK-CRAIPNDOSA-N 1 3 332.492 2.375 10 0 EEAEHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCc2ccccc2[C@H]1CN ZINC000566191741 319258337 /nfs/dbraw/zinc/25/83/37/319258337.db2.gz CJWVGNKCCJXLJK-CRAIPNDOSA-N 1 3 332.492 2.375 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000567625051 319398855 /nfs/dbraw/zinc/39/88/55/319398855.db2.gz CPFFNQGMPCRBGN-AWEZNQCLSA-N 1 3 339.430 2.197 10 0 EEAEHO CN(C)CCN(C)CCC[N@H+](C)CCN1CCCc2ccccc21 ZINC000578170213 320298395 /nfs/dbraw/zinc/29/83/95/320298395.db2.gz VHBSKSSTLXQRRY-UHFFFAOYSA-N 1 3 332.536 2.255 10 0 EEAEHO CN(C)CCN(C)CCC[N@@H+](C)CCN1CCCc2ccccc21 ZINC000578170213 320298396 /nfs/dbraw/zinc/29/83/96/320298396.db2.gz VHBSKSSTLXQRRY-UHFFFAOYSA-N 1 3 332.536 2.255 10 0 EEAEHO CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000342357326 465312796 /nfs/dbraw/zinc/31/27/96/465312796.db2.gz SGRGPKKONGBCKS-QAPCUYQASA-N 1 3 336.524 2.233 10 0 EEAEHO CN1CC[C@H](NC(=O)NC[C@]2(C)CCC[NH2+]C2)[C@H]1c1ccccc1 ZINC000579333090 468343919 /nfs/dbraw/zinc/34/39/19/468343919.db2.gz OFBAPQYJFMCPNH-YQVWRLOYSA-N 1 3 330.476 2.121 10 0 EEAEHO Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H]2CCCN2C)CC1 ZINC000139528826 463326390 /nfs/dbraw/zinc/32/63/90/463326390.db2.gz QPYAVADSDHKGBE-IBGZPJMESA-N 1 3 344.503 2.353 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000162578991 463521934 /nfs/dbraw/zinc/52/19/34/463521934.db2.gz PLMFKPOETDOMRI-SFHVURJKSA-N 1 3 329.488 2.499 10 0 EEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000164392427 463622866 /nfs/dbraw/zinc/62/28/66/463622866.db2.gz KGOMRLXNTDJDAM-NEWSRXKRSA-N 1 3 346.519 2.187 10 0 EEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000164392427 463622869 /nfs/dbraw/zinc/62/28/69/463622869.db2.gz KGOMRLXNTDJDAM-NEWSRXKRSA-N 1 3 346.519 2.187 10 0 EEAEHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170827041 463715370 /nfs/dbraw/zinc/71/53/70/463715370.db2.gz LUPPVNUNOUPYFH-GOSISDBHSA-N 1 3 332.492 2.374 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)N(C)C)cc1 ZINC000195122267 463995108 /nfs/dbraw/zinc/99/51/08/463995108.db2.gz XVJGPKAIAKZHBJ-ROUUACIJSA-N 1 3 332.492 2.245 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C)N(C)C)cc1 ZINC000195122267 463995114 /nfs/dbraw/zinc/99/51/14/463995114.db2.gz XVJGPKAIAKZHBJ-ROUUACIJSA-N 1 3 332.492 2.245 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC[N@@H+]1C ZINC000174203719 464377375 /nfs/dbraw/zinc/37/73/75/464377375.db2.gz LEHCHTLWYVOIAR-NEWSRXKRSA-N 1 3 346.519 2.283 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC[N@H+]1C ZINC000174203719 464377380 /nfs/dbraw/zinc/37/73/80/464377380.db2.gz LEHCHTLWYVOIAR-NEWSRXKRSA-N 1 3 346.519 2.283 10 0 EEAEHO C[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182938915 464762327 /nfs/dbraw/zinc/76/23/27/464762327.db2.gz PIYQJZYAAOHQJJ-SCTDSRPQSA-N 1 3 346.519 2.295 10 0 EEAEHO C[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182938915 464762332 /nfs/dbraw/zinc/76/23/32/464762332.db2.gz PIYQJZYAAOHQJJ-SCTDSRPQSA-N 1 3 346.519 2.295 10 0 EEAEHO CCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000183428759 464862888 /nfs/dbraw/zinc/86/28/88/464862888.db2.gz XLKNAFNTNFPRSW-GJZGRUSLSA-N 1 3 347.459 2.122 10 0 EEAEHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000183428759 464862893 /nfs/dbraw/zinc/86/28/93/464862893.db2.gz XLKNAFNTNFPRSW-GJZGRUSLSA-N 1 3 347.459 2.122 10 0 EEAEHO CC[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000183428759 464862901 /nfs/dbraw/zinc/86/29/01/464862901.db2.gz XLKNAFNTNFPRSW-GJZGRUSLSA-N 1 3 347.459 2.122 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298964177 465551678 /nfs/dbraw/zinc/55/16/78/465551678.db2.gz YKBPLTZINFMRCF-OTWHNJEPSA-N 1 3 344.503 2.085 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298964177 465551685 /nfs/dbraw/zinc/55/16/85/465551685.db2.gz YKBPLTZINFMRCF-OTWHNJEPSA-N 1 3 344.503 2.085 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CC[C@H](O)C2)CC1 ZINC000353209953 465717971 /nfs/dbraw/zinc/71/79/71/465717971.db2.gz VJZYTISXEDGFAK-HKUYNNGSSA-N 1 3 331.504 2.469 10 0 EEAEHO CN1CC[C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000353432748 465878200 /nfs/dbraw/zinc/87/82/00/465878200.db2.gz CKSNGTUJIVAVSP-ACRUOGEOSA-N 1 3 343.515 2.481 10 0 EEAEHO C[N@@H+]1CC[C@H](NCc2ccc(CN3CCOCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000353432748 465878205 /nfs/dbraw/zinc/87/82/05/465878205.db2.gz CKSNGTUJIVAVSP-ACRUOGEOSA-N 1 3 343.515 2.481 10 0 EEAEHO C[N@H+]1CC[C@H](NCc2ccc(CN3CCOCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000353432748 465878208 /nfs/dbraw/zinc/87/82/08/465878208.db2.gz CKSNGTUJIVAVSP-ACRUOGEOSA-N 1 3 343.515 2.481 10 0 EEAEHO c1ccc(CC[NH+]2CCC(NCCc3nnc4n3CCC4)CC2)cc1 ZINC000361344549 465923756 /nfs/dbraw/zinc/92/37/56/465923756.db2.gz VEHWEFFWOIONAC-UHFFFAOYSA-N 1 3 339.487 2.064 10 0 EEAEHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)c1ccco1 ZINC000357549256 466125327 /nfs/dbraw/zinc/12/53/27/466125327.db2.gz UNGWIMWVJAPISL-HOCLYGCPSA-N 1 3 334.464 2.198 10 0 EEAEHO CN(C(=O)c1ccc(Nc2ccncc2)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000346981013 466295046 /nfs/dbraw/zinc/29/50/46/466295046.db2.gz MHTKQXDSQWKTLO-IBGZPJMESA-N 1 3 336.439 2.413 10 0 EEAEHO CC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H](O)C(F)F ZINC000423153483 466693637 /nfs/dbraw/zinc/69/36/37/466693637.db2.gz GSNOUBIZSGOYPE-UICACZKSSA-N 1 3 326.387 2.237 10 0 EEAEHO C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H](N)c2ccccc2)c1 ZINC000417061654 466768509 /nfs/dbraw/zinc/76/85/09/466768509.db2.gz FZIPKNNRDLPBAH-GOSISDBHSA-N 1 3 326.444 2.247 10 0 EEAEHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000417087929 466776225 /nfs/dbraw/zinc/77/62/25/466776225.db2.gz IRTYDVJPZGHUOP-MAUKXSAKSA-N 1 3 344.503 2.121 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)C1 ZINC000417220303 466806541 /nfs/dbraw/zinc/80/65/41/466806541.db2.gz LGRXBHSPPNOXNR-SUMDDJOVSA-N 1 3 342.487 2.358 10 0 EEAEHO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCN2CCC1CC2 ZINC000373724499 466900451 /nfs/dbraw/zinc/90/04/51/466900451.db2.gz CORBJWOYECLTDS-QGZVFWFLSA-N 1 3 345.462 2.344 10 0 EEAEHO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCN2CCC1CC2 ZINC000373724499 466900455 /nfs/dbraw/zinc/90/04/55/466900455.db2.gz CORBJWOYECLTDS-QGZVFWFLSA-N 1 3 345.462 2.344 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417977206 467007963 /nfs/dbraw/zinc/00/79/63/467007963.db2.gz GYUMIIOPNKYABJ-YJJAZYOBSA-N 1 3 344.503 2.431 10 0 EEAEHO C[C@]1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCCN1Cc1ccccc1 ZINC000418047570 467033011 /nfs/dbraw/zinc/03/30/11/467033011.db2.gz SVDRZBGWKYRPML-WSTZPKSXSA-N 1 3 342.487 2.044 10 0 EEAEHO CN(C(=O)NCC[C@H]1CCC[NH2+]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418542935 467126375 /nfs/dbraw/zinc/12/63/75/467126375.db2.gz ARMFELIRULMQMK-MSOLQXFVSA-N 1 3 330.476 2.044 10 0 EEAEHO O=C(CCN1CCc2ccccc2C1)NCCC[NH+]1CCCCC1 ZINC000431626301 467529394 /nfs/dbraw/zinc/52/93/94/467529394.db2.gz AARNJBYPVTWGHG-UHFFFAOYSA-N 1 3 329.488 2.427 10 0 EEAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@]2(O)CCO[C@@H]2C)CC1 ZINC000449293403 467628715 /nfs/dbraw/zinc/62/87/15/467628715.db2.gz VGHJBXYGQQBJGW-HLIPFELVSA-N 1 3 332.488 2.212 10 0 EEAEHO COc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(OC)c1 ZINC000530247703 467967923 /nfs/dbraw/zinc/96/79/23/467967923.db2.gz CGJALUVGFNYPTK-GOSISDBHSA-N 1 3 334.460 2.294 10 0 EEAEHO CN1CC[C@@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)[C@@H]1c1ccccc1 ZINC000515223336 467980860 /nfs/dbraw/zinc/98/08/60/467980860.db2.gz NVSYBGRXEGQBRC-RWQQGDIJSA-N 1 3 344.503 2.496 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000570617968 468665769 /nfs/dbraw/zinc/66/57/69/468665769.db2.gz FJMDHXDVXMGGLX-FPAYPSAMSA-N 1 3 344.503 2.194 10 0 EEAEHO CNC(=O)[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])Cc1ccc(F)cc1C ZINC000583813025 468759848 /nfs/dbraw/zinc/75/98/48/468759848.db2.gz KWYKECULLFEMMD-SOLBZPMBSA-N 1 3 335.467 2.146 10 0 EEAEHO CNC(=O)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)Cc1ccc(F)cc1C ZINC000583813025 468759851 /nfs/dbraw/zinc/75/98/51/468759851.db2.gz KWYKECULLFEMMD-SOLBZPMBSA-N 1 3 335.467 2.146 10 0 EEAEHO CN(C)CCOc1cccc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000562744113 469059258 /nfs/dbraw/zinc/05/92/58/469059258.db2.gz LCLSQRKKUTWOAI-IBGZPJMESA-N 1 3 346.475 2.234 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)N[C@H]2CCCN(C)C2)[NH+](C)C)cc1 ZINC000618547107 469383643 /nfs/dbraw/zinc/38/36/43/469383643.db2.gz BTLCZIBBTGSJDB-ROUUACIJSA-N 1 3 332.492 2.245 10 0 EEAEHO CN1CCC[C@H](NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000618560626 469389258 /nfs/dbraw/zinc/38/92/58/469389258.db2.gz GUASWZPAIMEXPN-SFHVURJKSA-N 1 3 336.524 2.378 10 0 EEAEHO CN1CCC[C@H](NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000618560626 469389262 /nfs/dbraw/zinc/38/92/62/469389262.db2.gz GUASWZPAIMEXPN-SFHVURJKSA-N 1 3 336.524 2.378 10 0 EEAEHO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CCN1C ZINC000625801067 469392125 /nfs/dbraw/zinc/39/21/25/469392125.db2.gz AWQVMSAXUPHIQY-WZGPROSRSA-N 1 3 329.488 2.273 10 0 EEAEHO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCN1C ZINC000625801067 469392131 /nfs/dbraw/zinc/39/21/31/469392131.db2.gz AWQVMSAXUPHIQY-WZGPROSRSA-N 1 3 329.488 2.273 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000617506656 469705688 /nfs/dbraw/zinc/70/56/88/469705688.db2.gz VGODLOKDZOPGPQ-QFBILLFUSA-N 1 3 347.503 2.192 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000617506656 469705692 /nfs/dbraw/zinc/70/56/92/469705692.db2.gz VGODLOKDZOPGPQ-QFBILLFUSA-N 1 3 347.503 2.192 10 0 EEAEHO OCCOC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC(F)(F)CC1 ZINC000623638164 469718202 /nfs/dbraw/zinc/71/82/02/469718202.db2.gz XCUNLMNKFIDWAZ-GJZGRUSLSA-N 1 3 332.435 2.160 10 0 EEAEHO OCCOC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC(F)(F)CC1 ZINC000623638164 469718205 /nfs/dbraw/zinc/71/82/05/469718205.db2.gz XCUNLMNKFIDWAZ-GJZGRUSLSA-N 1 3 332.435 2.160 10 0 EEAEHO CN(CCCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)Cc1ccccc1 ZINC000626924591 469756494 /nfs/dbraw/zinc/75/64/94/469756494.db2.gz BWHVPFKJBGVPOP-BGYRXZFFSA-N 1 3 344.503 2.150 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000627239406 469853873 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2.489 10 0 EEAEHO CCCc1csc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000666577689 471454311 /nfs/dbraw/zinc/45/43/11/471454311.db2.gz NQAZHBNNCISQBN-ZDUSSCGKSA-N 1 3 341.525 2.489 10 0 EEAEHO Cc1ccc(NC(=O)NCC[C@@H]([NH3+])C(C)C)c(OCCN(C)C)c1 ZINC000659000386 471462095 /nfs/dbraw/zinc/46/20/95/471462095.db2.gz XQYULCCOTMQACX-OAHLLOKOSA-N 1 3 336.480 2.430 10 0 EEAEHO C[C@@H](C[NH2+]Cc1ccc(OCCN(C)C)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655824771 471496314 /nfs/dbraw/zinc/49/63/14/471496314.db2.gz PBYKMQJUAKYICO-OKZBNKHCSA-N 1 3 349.519 2.214 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000659454365 471635127 /nfs/dbraw/zinc/63/51/27/471635127.db2.gz DYHSLJSWKDKBIC-ZWKOTPCHSA-N 1 3 332.492 2.324 10 0 EEAEHO C[C@]1(CNC(=O)NCC23CC(C2)C[NH2+]3)CCCN1Cc1ccccc1 ZINC000659484207 471651036 /nfs/dbraw/zinc/65/10/36/471651036.db2.gz PRZTUDIVPLVODU-SKINQDTJSA-N 1 3 342.487 2.092 10 0 EEAEHO CCN(C(=O)N[C@H](C)C[NH2+]C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000659639466 471707087 /nfs/dbraw/zinc/70/70/87/471707087.db2.gz ZQNAIRFGGIDYBC-NUJGCVRESA-N 1 3 332.492 2.461 10 0 EEAEHO CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000661406204 471747605 /nfs/dbraw/zinc/74/76/05/471747605.db2.gz IXRQVMOTQLBMQE-SJORKVTESA-N 1 3 336.524 2.280 10 0 EEAEHO CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000661406204 471747610 /nfs/dbraw/zinc/74/76/10/471747610.db2.gz IXRQVMOTQLBMQE-SJORKVTESA-N 1 3 336.524 2.280 10 0 EEAEHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000661406202 471747752 /nfs/dbraw/zinc/74/77/52/471747752.db2.gz IXRQVMOTQLBMQE-IAGOWNOFSA-N 1 3 336.524 2.280 10 0 EEAEHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000661406202 471747755 /nfs/dbraw/zinc/74/77/55/471747755.db2.gz IXRQVMOTQLBMQE-IAGOWNOFSA-N 1 3 336.524 2.280 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCC(C)(C)CC1 ZINC000665758907 472173933 /nfs/dbraw/zinc/17/39/33/472173933.db2.gz STKCNHBSQVZZHP-INIZCTEOSA-N 1 3 326.529 2.480 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCC(C)(C)CC1 ZINC000665758907 472173939 /nfs/dbraw/zinc/17/39/39/472173939.db2.gz STKCNHBSQVZZHP-INIZCTEOSA-N 1 3 326.529 2.480 10 0 EEAEHO Cc1cc(C)cc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000665764036 472177092 /nfs/dbraw/zinc/17/70/92/472177092.db2.gz SASBKQLSJBQHRX-KRWDZBQOSA-N 1 3 334.508 2.375 10 0 EEAEHO Cc1cc(C)cc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000665764036 472177094 /nfs/dbraw/zinc/17/70/94/472177094.db2.gz SASBKQLSJBQHRX-KRWDZBQOSA-N 1 3 334.508 2.375 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCC[C@@H]1C(F)F ZINC000665762438 472178084 /nfs/dbraw/zinc/17/80/84/472178084.db2.gz DOGZDYPMGVSKPC-UONOGXRCSA-N 1 3 334.455 2.088 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCC[C@@H]1C(F)F ZINC000665762438 472178093 /nfs/dbraw/zinc/17/80/93/472178093.db2.gz DOGZDYPMGVSKPC-UONOGXRCSA-N 1 3 334.455 2.088 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc2c(c1)CCCO2 ZINC000665928626 472242323 /nfs/dbraw/zinc/24/23/23/472242323.db2.gz BBJPUMLEYJJCMA-HNNXBMFYSA-N 1 3 348.491 2.405 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc2c(c1)CCCO2 ZINC000665928626 472242327 /nfs/dbraw/zinc/24/23/27/472242327.db2.gz BBJPUMLEYJJCMA-HNNXBMFYSA-N 1 3 348.491 2.405 10 0 EEAEHO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cc(C(C)(C)N)no1 ZINC000662787508 472250245 /nfs/dbraw/zinc/25/02/45/472250245.db2.gz BJNPBFVXWDWJQO-UHFFFAOYSA-N 1 3 336.480 2.453 10 0 EEAEHO CCCN1CCC([NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)CC1 ZINC000678773857 485497467 /nfs/dbraw/zinc/49/74/67/485497467.db2.gz BTZVGXZAGGTLLQ-HNNXBMFYSA-N 1 3 328.460 2.249 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C[NH2+]1 ZINC000626955095 485695926 /nfs/dbraw/zinc/69/59/26/485695926.db2.gz SRTCGRHKFRQINA-NEWSRXKRSA-N 1 3 344.503 2.338 10 0 EEAEHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)C2)CC1 ZINC000684926782 486038669 /nfs/dbraw/zinc/03/86/69/486038669.db2.gz ICVDOPKSRRKFFH-MKXGPGLRSA-N 1 3 335.536 2.340 10 0 EEAEHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000179464246 527812382 /nfs/dbraw/zinc/81/23/82/527812382.db2.gz VEKLMZDQEFKTKD-QXAKKESOSA-N 1 3 344.503 2.415 10 0 EEAEHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000179464246 527812384 /nfs/dbraw/zinc/81/23/84/527812384.db2.gz VEKLMZDQEFKTKD-QXAKKESOSA-N 1 3 344.503 2.415 10 0 EEAEHO CC[NH+](CC)CC1CCN(Cc2ccc(OCC(N)=O)cc2)CC1 ZINC000726066308 576232662 /nfs/dbraw/zinc/23/26/62/576232662.db2.gz ARQYZFQJRLVXBJ-UHFFFAOYSA-N 1 3 333.476 2.105 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)c3ccn4ccccc34)CC2)CC1 ZINC000896004899 684800948 /nfs/dbraw/zinc/80/09/48/684800948.db2.gz SIKXHBPSKNPTLA-UHFFFAOYSA-N 1 3 340.471 2.228 10 0 EEAEHO C[N@H+](CCNC(=O)C(C)(C)N1CCCCC1)CC[C@H]1CCCCO1 ZINC001480863687 1176074339 /nfs/dbraw/zinc/07/43/39/1176074339.db2.gz DPDFNRBHPSIQOG-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO C[N@@H+](CCNC(=O)C(C)(C)N1CCCCC1)CC[C@H]1CCCCO1 ZINC001480863687 1176074351 /nfs/dbraw/zinc/07/43/51/1176074351.db2.gz DPDFNRBHPSIQOG-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO CC(C)COCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001266624692 1177020367 /nfs/dbraw/zinc/02/03/67/1177020367.db2.gz LZRNJSGTOVZBGL-KZNAEPCWSA-N 1 3 339.524 2.159 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001266725679 1177311404 /nfs/dbraw/zinc/31/14/04/1177311404.db2.gz PSNOHMQYOVZUAJ-RWMBFGLXSA-N 1 3 336.307 2.149 10 0 EEAEHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001267043786 1178139090 /nfs/dbraw/zinc/13/90/90/1178139090.db2.gz DQDBHOSWNVBIHV-MOPGFXCFSA-N 1 3 331.504 2.253 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C[C@H]1CCOC1)C(C)C ZINC001267340557 1178788245 /nfs/dbraw/zinc/78/82/45/1178788245.db2.gz MHCICGCUHUJYOI-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C[C@H]1CCOC1)C(C)C ZINC001267340557 1178788250 /nfs/dbraw/zinc/78/82/50/1178788250.db2.gz MHCICGCUHUJYOI-MSOLQXFVSA-N 1 3 339.524 2.114 10 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CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H]1CCc2c1cccc2F ZINC001268523171 1183177031 /nfs/dbraw/zinc/17/70/31/1183177031.db2.gz POGPUXDGKZZREX-IAFRVXFPSA-N 1 3 331.435 2.169 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001482164584 1183489336 /nfs/dbraw/zinc/48/93/36/1183489336.db2.gz WEOLMWBHHWSADZ-OCCSQVGLSA-N 1 3 342.434 2.428 10 0 EEAEHO CN(CCC[NH2+]Cc1cc(F)ccc1F)C(=O)[C@@H]1CCCCN1C ZINC001268803248 1183720992 /nfs/dbraw/zinc/72/09/92/1183720992.db2.gz XRDRLYUXDFXCBK-KRWDZBQOSA-N 1 3 339.430 2.387 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2cncc(C)c2)C1)N(C)C ZINC001269793379 1184625839 /nfs/dbraw/zinc/62/58/39/1184625839.db2.gz YWWLRIJPJMAYMU-MJGOQNOKSA-N 1 3 346.519 2.449 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC001270579802 1185183685 /nfs/dbraw/zinc/18/36/85/1185183685.db2.gz XIDDZUAHSOOFIF-PPYMECGQSA-N 1 3 326.444 2.316 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccns1 ZINC001271566434 1186317469 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C[C@H](C[NH2+]CCCc1cccc(F)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001483167406 1189003048 /nfs/dbraw/zinc/00/30/48/1189003048.db2.gz ZXBPVDKYCLEWPN-JKSUJKDBSA-N 1 3 335.467 2.194 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]Cc1cccc2cccnc21 ZINC001483197816 1189083946 /nfs/dbraw/zinc/08/39/46/1189083946.db2.gz RMHJARYFMLANKQ-OAHLLOKOSA-N 1 3 328.460 2.169 10 0 EEAEHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+]Cc1ccccc1OC1CC1 ZINC001485955626 1193648261 /nfs/dbraw/zinc/64/82/61/1193648261.db2.gz NUWJVWVVSCUOBL-MRXNPFEDSA-N 1 3 345.487 2.260 10 0 EEAEHO CO[C@H](C[N@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1)C1CCCC1 ZINC001409572014 1190053505 /nfs/dbraw/zinc/05/35/05/1190053505.db2.gz AHBWWQJLKBEUFK-DOTOQJQBSA-N 1 3 339.524 2.112 10 0 EEAEHO CO[C@H](C[N@@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1)C1CCCC1 ZINC001409572014 1190053510 /nfs/dbraw/zinc/05/35/10/1190053510.db2.gz AHBWWQJLKBEUFK-DOTOQJQBSA-N 1 3 339.524 2.112 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CCCOC)C1 ZINC001483800750 1191042184 /nfs/dbraw/zinc/04/21/84/1191042184.db2.gz BONVSDDOKFANOH-MSOLQXFVSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@@H+](CCCOC)C1 ZINC001483800750 1191042189 /nfs/dbraw/zinc/04/21/89/1191042189.db2.gz BONVSDDOKFANOH-MSOLQXFVSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1ncoc1CN1CCC(C)(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001484142533 1191237443 /nfs/dbraw/zinc/23/74/43/1191237443.db2.gz UEBMDXBAQLQRLW-UHFFFAOYSA-N 1 3 348.491 2.043 10 0 EEAEHO COCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001484572712 1191422360 /nfs/dbraw/zinc/42/23/60/1191422360.db2.gz PQPHLFBOYCBXAX-BZSNNMDCSA-N 1 3 339.524 2.162 10 0 EEAEHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]C/C=C/Cl)CC2)C1 ZINC001484571757 1191424593 /nfs/dbraw/zinc/42/45/93/1191424593.db2.gz HSDLYCWODFLSRO-AIKGRSRUSA-N 1 3 327.900 2.345 10 0 EEAEHO CC(C)[N@@H+]1CCc2c(CNC(=O)CN3CC[C@@H](C)C3)cccc2C1 ZINC001484612640 1191437700 /nfs/dbraw/zinc/43/77/00/1191437700.db2.gz KATOKDGQQDDWSX-MRXNPFEDSA-N 1 3 329.488 2.411 10 0 EEAEHO CC(C)[N@H+]1CCc2c(CNC(=O)CN3CC[C@@H](C)C3)cccc2C1 ZINC001484612640 1191437702 /nfs/dbraw/zinc/43/77/02/1191437702.db2.gz KATOKDGQQDDWSX-MRXNPFEDSA-N 1 3 329.488 2.411 10 0 EEAEHO CCCN(C)CC(=O)N(C)C1CCC([NH2+]Cc2cncs2)CC1 ZINC001485242893 1191706816 /nfs/dbraw/zinc/70/68/16/1191706816.db2.gz XPTMFBOTPZWEJA-UHFFFAOYSA-N 1 3 338.521 2.344 10 0 EEAEHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)NCc1cncs1 ZINC001410444398 1197924061 /nfs/dbraw/zinc/92/40/61/1197924061.db2.gz BQOMTHNUVFDOEQ-GOEBONIOSA-N 1 3 338.521 2.343 10 0 EEAEHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)NCc1cncs1 ZINC001410444398 1197924065 /nfs/dbraw/zinc/92/40/65/1197924065.db2.gz BQOMTHNUVFDOEQ-GOEBONIOSA-N 1 3 338.521 2.343 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ocnc3C)[C@H]2C1 ZINC001410914574 1198569484 /nfs/dbraw/zinc/56/94/84/1198569484.db2.gz GZNMEQDKLUINSE-YESZJQIVSA-N 1 3 348.491 2.042 10 0 EEAEHO CCN(CC)[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1cccc(OC)c1 ZINC000870860378 1200917287 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0 EEAEHO C[C@@H]1[C@@H](NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000925328282 1206097453 /nfs/dbraw/zinc/09/74/53/1206097453.db2.gz VUXWJPVEJGEJJB-QRQLOZEOSA-N 1 3 344.503 2.243 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000925328282 1206097455 /nfs/dbraw/zinc/09/74/55/1206097455.db2.gz VUXWJPVEJGEJJB-QRQLOZEOSA-N 1 3 344.503 2.243 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000925326834 1206097837 /nfs/dbraw/zinc/09/78/37/1206097837.db2.gz NHIZITZWEFZXGI-ZHALLVOQSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000925326834 1206097841 /nfs/dbraw/zinc/09/78/41/1206097841.db2.gz NHIZITZWEFZXGI-ZHALLVOQSA-N 1 3 344.503 2.385 10 0 EEAEHO Brc1cnn(CCN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925671322 1206141808 /nfs/dbraw/zinc/14/18/08/1206141808.db2.gz PFQCNSWFQDFDSR-GJZGRUSLSA-N 1 3 341.297 2.404 10 0 EEAEHO Brc1cnn(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)c1 ZINC000925671322 1206141810 /nfs/dbraw/zinc/14/18/10/1206141810.db2.gz PFQCNSWFQDFDSR-GJZGRUSLSA-N 1 3 341.297 2.404 10 0 EEAEHO CNC(=O)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC)c1ccccc1 ZINC000926345438 1206214682 /nfs/dbraw/zinc/21/46/82/1206214682.db2.gz QBBUWAHHTHWMDL-IPQPSQTFSA-N 1 3 345.487 2.095 10 0 EEAEHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)C12CC[NH+](CC1)C2 ZINC000900535678 1234454020 /nfs/dbraw/zinc/45/40/20/1234454020.db2.gz UFELKYKKBYPHRX-GOSISDBHSA-N 1 3 327.472 2.426 10 0 EEAEHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@H]1COc2ccccc2C1 ZINC000902981924 1239260149 /nfs/dbraw/zinc/26/01/49/1239260149.db2.gz SKDCHHIXDRLINC-FUHWJXTLSA-N 1 3 331.504 2.242 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NCC[N@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827075942 1249786469 /nfs/dbraw/zinc/78/64/69/1249786469.db2.gz IICOEHMNOZDUTI-SWLSCSKDSA-N 1 3 338.883 2.281 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827075942 1249786473 /nfs/dbraw/zinc/78/64/73/1249786473.db2.gz IICOEHMNOZDUTI-SWLSCSKDSA-N 1 3 338.883 2.281 10 0 EEAEHO CC(=O)NCC1CCC(N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000903379884 1240348177 /nfs/dbraw/zinc/34/81/77/1240348177.db2.gz ZXNVCNYZQCQDHQ-NKELODKYSA-N 1 3 332.492 2.359 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CN2CC[C@H](c3cccc(F)c3)C2)cnn1C ZINC000903890306 1242347681 /nfs/dbraw/zinc/34/76/81/1242347681.db2.gz BVINHNYALWCQHJ-RDJZCZTQSA-N 1 3 330.451 2.475 10 0 EEAEHO COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CNCCC2(F)F)c1 ZINC000903955100 1242698390 /nfs/dbraw/zinc/69/83/90/1242698390.db2.gz KUYANOXQJQTIFK-CQSZACIVSA-N 1 3 336.386 2.420 10 0 EEAEHO C[C@@H]1C[NH2+]C[C@H]1CCNCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000903974431 1242813196 /nfs/dbraw/zinc/81/31/96/1242813196.db2.gz MPAXMKKTYMGEKB-VXGBXAGGSA-N 1 3 337.830 2.395 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N[C@H](C)C[NH+]2CCCCC2)cc(Cl)n1 ZINC000826935044 1248131647 /nfs/dbraw/zinc/13/16/47/1248131647.db2.gz SHLPQAVLIACMLL-HIFRSBDPSA-N 1 3 338.883 2.424 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCN1CCOC1CCC1 ZINC001489268974 1290479547 /nfs/dbraw/zinc/47/95/47/1290479547.db2.gz DNADVCKZPRNIQF-RYRKJORJSA-N 1 3 337.508 2.009 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CCN1CCOC1CCC1 ZINC001489268974 1290479551 /nfs/dbraw/zinc/47/95/51/1290479551.db2.gz DNADVCKZPRNIQF-RYRKJORJSA-N 1 3 337.508 2.009 10 0 EEAEHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000855899166 1293360555 /nfs/dbraw/zinc/36/05/55/1293360555.db2.gz HEEWVKOWJZNWNJ-YJBOKZPZSA-N 1 3 327.488 2.436 10 0 EEAEHO CC[C@@H]1CN(C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)C[C@H](C)N1 ZINC000856408193 1293516769 /nfs/dbraw/zinc/51/67/69/1293516769.db2.gz IEQWCKJXVKSTPS-KDVLCQBISA-N 1 3 345.487 2.239 10 0 EEAEHO Cc1cc(CNCCC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)on1 ZINC001277314076 1302341899 /nfs/dbraw/zinc/34/18/99/1302341899.db2.gz MVQWVMHLUSTYOL-AWEZNQCLSA-N 1 3 336.480 2.089 10 0 EEAEHO CC(C)CCOCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001277786187 1304484552 /nfs/dbraw/zinc/48/45/52/1304484552.db2.gz UNGZSCDIEJTLMP-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ccc(C)c(OCC[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001265459966 1323167285 /nfs/dbraw/zinc/16/72/85/1323167285.db2.gz SPCYNJYUQLJNTO-SFHVURJKSA-N 1 3 347.503 2.213 10 0 EEAEHO CC[C@@H](C(=O)NC1CCC([NH2+]CCOc2ccccc2)CC1)N(C)C ZINC001265740780 1323359273 /nfs/dbraw/zinc/35/92/73/1323359273.db2.gz POFIKPQMGBVTLP-TVPLGVNVSA-N 1 3 347.503 2.423 10 0 EEAEHO Cc1ccc(C[N@@H+](CCCNC(=O)[C@@H]2CCCN2C)C2CC2)c(C)n1 ZINC001266126534 1323698414 /nfs/dbraw/zinc/69/84/14/1323698414.db2.gz YRWAMCVTDRUXDK-IBGZPJMESA-N 1 3 344.503 2.263 10 0 EEAEHO Cc1ccc(C[N@H+](CCCNC(=O)[C@@H]2CCCN2C)C2CC2)c(C)n1 ZINC001266126534 1323698419 /nfs/dbraw/zinc/69/84/19/1323698419.db2.gz YRWAMCVTDRUXDK-IBGZPJMESA-N 1 3 344.503 2.263 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cnn(C)c1 ZINC001283249350 1325971073 /nfs/dbraw/zinc/97/10/73/1325971073.db2.gz SEGMILFXZHHCPH-AEFFLSMTSA-N 1 3 349.523 2.058 10 0 EEAEHO COCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001316662482 1329974980 /nfs/dbraw/zinc/97/49/80/1329974980.db2.gz KYFTXRAIYYGTTQ-FGTMMUONSA-N 1 3 339.524 2.162 10 0 EEAEHO Cc1cccc(CCC[NH2+][C@@H](C)CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001491579463 1330172092 /nfs/dbraw/zinc/17/20/92/1330172092.db2.gz LJOHZCWLZVTWOT-ROUUACIJSA-N 1 3 331.504 2.364 10 0 EEAEHO O=C(N[C@@H]1CCC[C@@H](NC/C(Cl)=C/Cl)C1)C12CC[NH+](CC1)C2 ZINC001491891009 1330291482 /nfs/dbraw/zinc/29/14/82/1330291482.db2.gz HNZDSADDWQTGTN-ISESHHHUSA-N 1 3 346.302 2.418 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC001492165650 1331030885 /nfs/dbraw/zinc/03/08/85/1331030885.db2.gz ZCTZNIWJUIQGDX-PKOBYXMFSA-N 1 3 344.503 2.284 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC001492165650 1331030890 /nfs/dbraw/zinc/03/08/90/1331030890.db2.gz ZCTZNIWJUIQGDX-PKOBYXMFSA-N 1 3 344.503 2.284 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC(F)(F)F)N(C)C ZINC001316707600 1331858071 /nfs/dbraw/zinc/85/80/71/1331858071.db2.gz AHELVVMAPPBCCK-RDBSUJKOSA-N 1 3 337.430 2.496 10 0 EEAEHO CCOCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001317383161 1332208434 /nfs/dbraw/zinc/20/84/34/1332208434.db2.gz KBLVXDWOKPXHBB-ZWKOTPCHSA-N 1 3 339.524 2.209 10 0 EEAEHO CCOCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001317383161 1332208436 /nfs/dbraw/zinc/20/84/36/1332208436.db2.gz KBLVXDWOKPXHBB-ZWKOTPCHSA-N 1 3 339.524 2.209 10 0 EEAEHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]CC[C@H]1CCCC1(F)F ZINC001319129774 1332653407 /nfs/dbraw/zinc/65/34/07/1332653407.db2.gz IHMYTNAJHROYFX-HZPDHXFCSA-N 1 3 343.462 2.488 10 0 EEAEHO CCN(CC[NH2+]C[C@H]1CC[C@@H](C)O1)C(=O)c1cccc(CN(C)C)c1 ZINC001320928425 1332980725 /nfs/dbraw/zinc/98/07/25/1332980725.db2.gz KGSMYYJZJIDGFW-VQIMIIECSA-N 1 3 347.503 2.367 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C/C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001321405553 1333096766 /nfs/dbraw/zinc/09/67/66/1333096766.db2.gz SINXDDFUAOKUAQ-OWOJBTEDSA-N 1 3 339.842 2.337 10 0 EEAEHO CN(C)C1(C(=O)N[C@H](C[NH2+]CCc2ccccc2F)C2CC2)CCC1 ZINC001323016455 1333369389 /nfs/dbraw/zinc/36/93/89/1333369389.db2.gz XBVUSLVAQGZNTL-GOSISDBHSA-N 1 3 347.478 2.337 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CCc1ccccc1Cl ZINC001324235629 1333640090 /nfs/dbraw/zinc/64/00/90/1333640090.db2.gz MNSMYEKEALJVKA-INIZCTEOSA-N 1 3 346.862 2.429 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCOCC1)N(C)C ZINC001324261279 1333644539 /nfs/dbraw/zinc/64/45/39/1333644539.db2.gz OYBBONFCWNLZBN-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)COCC[N@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001328733920 1334510279 /nfs/dbraw/zinc/51/02/79/1334510279.db2.gz SGORDLNBQFOMKO-QGZVFWFLSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)COCC[N@@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001328733920 1334510284 /nfs/dbraw/zinc/51/02/84/1334510284.db2.gz SGORDLNBQFOMKO-QGZVFWFLSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)NCC2=CC[N@H+](CC3CC3)CC2)C1 ZINC001333405702 1336037365 /nfs/dbraw/zinc/03/73/65/1336037365.db2.gz JBDJOGJDIJLTTN-LJQANCHMSA-N 1 3 337.483 2.357 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)NCC2=CC[N@@H+](CC3CC3)CC2)C1 ZINC001333405702 1336037368 /nfs/dbraw/zinc/03/73/68/1336037368.db2.gz JBDJOGJDIJLTTN-LJQANCHMSA-N 1 3 337.483 2.357 10 0 EEAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@@H](NCc2ccc(F)cn2)C1 ZINC001436354598 1342047617 /nfs/dbraw/zinc/04/76/17/1342047617.db2.gz RYOVAWASTARQSP-FHLIZLRMSA-N 1 3 348.466 2.080 10 0 EEAEHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@@H](NCc2ccc(F)cn2)C1 ZINC001436354598 1342047620 /nfs/dbraw/zinc/04/76/20/1342047620.db2.gz RYOVAWASTARQSP-FHLIZLRMSA-N 1 3 348.466 2.080 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1N(Cc1cccc(F)c1)CC2 ZINC001449016041 1342085119 /nfs/dbraw/zinc/08/51/19/1342085119.db2.gz QVCQADMQMYOKLY-IEBWSBKVSA-N 1 3 333.451 2.391 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC001502548292 1342209339 /nfs/dbraw/zinc/20/93/39/1342209339.db2.gz QKTDZMGASRPPBU-HXUWFJFHSA-N 1 3 344.503 2.238 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC001502548292 1342209343 /nfs/dbraw/zinc/20/93/43/1342209343.db2.gz QKTDZMGASRPPBU-HXUWFJFHSA-N 1 3 344.503 2.238 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001568783127 1342854471 /nfs/dbraw/zinc/85/44/71/1342854471.db2.gz NRQZCJGOYKBWSR-MOPGFXCFSA-N 1 3 344.503 2.345 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001568783127 1342854476 /nfs/dbraw/zinc/85/44/76/1342854476.db2.gz NRQZCJGOYKBWSR-MOPGFXCFSA-N 1 3 344.503 2.345 10 0 EEAEHO CC(C)COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001570183449 1343028038 /nfs/dbraw/zinc/02/80/38/1343028038.db2.gz KXKGVJFYPAUDKQ-QZTJIDSGSA-N 1 3 341.540 2.216 10 0 EEAEHO CC(C)COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001570183449 1343028042 /nfs/dbraw/zinc/02/80/42/1343028042.db2.gz KXKGVJFYPAUDKQ-QZTJIDSGSA-N 1 3 341.540 2.216 10 0 EEAEHO C[C@H]1[C@H]([NH2+]CCOC2CCC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001676669523 1357178363 /nfs/dbraw/zinc/17/83/63/1357178363.db2.gz VRVRBDDNDLRAPD-DOTOQJQBSA-N 1 3 339.524 2.112 10 0 EEAEHO CN(C)C1(C(=O)NCC2=CC[N@H+](CC3CC(F)(F)C3)CC2)CCC1 ZINC001677571053 1357359743 /nfs/dbraw/zinc/35/97/43/1357359743.db2.gz XMDCUGZMXCKLTD-UHFFFAOYSA-N 1 3 341.446 2.264 10 0 EEAEHO CN(C)C1(C(=O)NCC2=CC[N@@H+](CC3CC(F)(F)C3)CC2)CCC1 ZINC001677571053 1357359745 /nfs/dbraw/zinc/35/97/45/1357359745.db2.gz XMDCUGZMXCKLTD-UHFFFAOYSA-N 1 3 341.446 2.264 10 0 EEAEHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1CC[NH2+]Cc1cccnc1 ZINC001656447833 1354238351 /nfs/dbraw/zinc/23/83/51/1354238351.db2.gz KHQYULAKTFKBHK-MAUKXSAKSA-N 1 3 341.459 2.154 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCCC[N@H+](C)Cc2cccc(N(C)C)c2)C1 ZINC001660303746 1354434823 /nfs/dbraw/zinc/43/48/23/1354434823.db2.gz DEIXSRXEOJHZTM-KRWDZBQOSA-N 1 3 346.519 2.033 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCCC[N@@H+](C)Cc2cccc(N(C)C)c2)C1 ZINC001660303746 1354434825 /nfs/dbraw/zinc/43/48/25/1354434825.db2.gz DEIXSRXEOJHZTM-KRWDZBQOSA-N 1 3 346.519 2.033 10 0 EEAEHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1sc(C)nc1C ZINC001660502834 1354476893 /nfs/dbraw/zinc/47/68/93/1354476893.db2.gz ZDCLATRTVROLHW-OAHLLOKOSA-N 1 3 338.521 2.182 10 0 EEAEHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1sc(C)nc1C ZINC001660502834 1354476897 /nfs/dbraw/zinc/47/68/97/1354476897.db2.gz ZDCLATRTVROLHW-OAHLLOKOSA-N 1 3 338.521 2.182 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCCc3ccsc3)C2)CCC1 ZINC001661435630 1354638627 /nfs/dbraw/zinc/63/86/27/1354638627.db2.gz ZELFFLHCTDJEBE-WKILWMFISA-N 1 3 335.517 2.402 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@H]1C[C@H](NCc2cc(F)ccc2F)C1 ZINC001661499145 1354646267 /nfs/dbraw/zinc/64/62/67/1354646267.db2.gz SEGDLVOXOWBDHX-WKILWMFISA-N 1 3 339.430 2.434 10 0 EEAEHO COc1ccc(C)cc1CNCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001664392168 1355153026 /nfs/dbraw/zinc/15/30/26/1355153026.db2.gz ZIYVJZGUNHWILP-UHFFFAOYSA-N 1 3 347.503 2.428 10 0 EEAEHO Cc1cc(C)cc(OCC[NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)c1 ZINC001667054964 1355640441 /nfs/dbraw/zinc/64/04/41/1355640441.db2.gz VWNCFZGENPGFJL-SFHVURJKSA-N 1 3 347.503 2.215 10 0 EEAEHO C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1NCc1cscn1 ZINC001667210097 1355674118 /nfs/dbraw/zinc/67/41/18/1355674118.db2.gz DSJKQINXLAWSBX-GOEBONIOSA-N 1 3 338.521 2.202 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)CN(C)C1CCC1 ZINC001668091785 1355867436 /nfs/dbraw/zinc/86/74/36/1355867436.db2.gz CCOFXAZIOWDBDX-ZDUSSCGKSA-N 1 3 339.430 2.434 10 0 EEAEHO Cc1nc(C(C)C)oc1CNCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668310643 1355921427 /nfs/dbraw/zinc/92/14/27/1355921427.db2.gz WWGXDORYFRHZNM-DZGCQCFKSA-N 1 3 336.480 2.043 10 0 EEAEHO Cc1nc(C(C)C)oc1CNCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001668310643 1355921432 /nfs/dbraw/zinc/92/14/32/1355921432.db2.gz WWGXDORYFRHZNM-DZGCQCFKSA-N 1 3 336.480 2.043 10 0 EEAEHO CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\CNCc1ccc(C)nc1C ZINC001669206770 1356124802 /nfs/dbraw/zinc/12/48/02/1356124802.db2.gz HIYJZNFCLDAPIL-RURPWVQCSA-N 1 3 344.503 2.335 10 0 EEAEHO CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C\CNCc1ccc(C)nc1C ZINC001669206770 1356124806 /nfs/dbraw/zinc/12/48/06/1356124806.db2.gz HIYJZNFCLDAPIL-RURPWVQCSA-N 1 3 344.503 2.335 10 0 EEAEHO O=C(NC/C=C/CNC/C=C/Cl)C1CC[NH+](CC2CC2)CC1 ZINC001699328080 1405335648 /nfs/dbraw/zinc/33/56/48/1405335648.db2.gz DEUYSROKNPTIPZ-URUMLEIASA-N 1 3 325.884 2.123 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@@](C)(C[NH2+]CCCCCF)C2)C1 ZINC001699843590 1405523103 /nfs/dbraw/zinc/52/31/03/1405523103.db2.gz AAWVDXYPBNKHCL-AEFFLSMTSA-N 1 3 327.488 2.296 10 0 EEAEHO COCc1cn(C[C@H]2CCCN(C3CC[NH+](CC(C)C)CC3)C2)nn1 ZINC000257187319 790606562 /nfs/dbraw/zinc/60/65/62/790606562.db2.gz AOPDMPBCWOPWJK-KRWDZBQOSA-N 1 3 349.523 2.257 10 0 EEAEHO C[C@H]1CN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC[C@@H]1C[NH3+] ZINC000923511140 789698248 /nfs/dbraw/zinc/69/82/48/789698248.db2.gz ZPIILDSLYSICLC-FXAWDEMLSA-N 1 3 343.515 2.384 10 0 EEAEHO Cc1c(C[C@@H](CN)C[NH2+][C@H](C)CCCc2cccnc2)cnn1C ZINC000903929226 796153513 /nfs/dbraw/zinc/15/35/13/796153513.db2.gz CIZHCJJOXIVUOT-QAPCUYQASA-N 1 3 329.492 2.242 10 0 EEAEHO Cc1ncc(CN[C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)s1 ZINC001437212871 1089292966 /nfs/dbraw/zinc/29/29/66/1089292966.db2.gz HGMJUJKAJPNUFF-CZUORRHYSA-N 1 3 338.521 2.309 10 0 EEAEHO Cc1ncc(CN[C@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)s1 ZINC001437212871 1089292976 /nfs/dbraw/zinc/29/29/76/1089292976.db2.gz HGMJUJKAJPNUFF-CZUORRHYSA-N 1 3 338.521 2.309 10 0 EEAEHO Cc1ccc(CC[N@H+]2CC[C@@H](CNC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001437723255 1090275959 /nfs/dbraw/zinc/27/59/59/1090275959.db2.gz DPJJKZQRTPLYTA-QUCCMNQESA-N 1 3 343.515 2.317 10 0 EEAEHO Cc1ccc(CC[N@@H+]2CC[C@@H](CNC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001437723255 1090275962 /nfs/dbraw/zinc/27/59/62/1090275962.db2.gz DPJJKZQRTPLYTA-QUCCMNQESA-N 1 3 343.515 2.317 10 0 EEAEHO C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CNCc1cncs1 ZINC001438771709 1091356507 /nfs/dbraw/zinc/35/65/07/1091356507.db2.gz KPDIOVBAPGTUKN-HOCLYGCPSA-N 1 3 338.521 2.202 10 0 EEAEHO C[C@H](F)CC[N@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001438771805 1091357209 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YOCSSCLVOGJANT-TVFCKZIOSA-N 1 3 335.536 2.449 10 0 EEAEHO C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)NCc1cncs1 ZINC001507128125 1115123001 /nfs/dbraw/zinc/12/30/01/1115123001.db2.gz AVPDFPYXXPOOBG-HUUCEWRRSA-N 1 3 338.521 2.344 10 0 EEAEHO Cc1ccncc1CN[C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001507160873 1115141207 /nfs/dbraw/zinc/14/12/07/1115141207.db2.gz GUYACDBRPQIKEG-MJGOQNOKSA-N 1 3 346.519 2.447 10 0 EEAEHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2CN(CCCCCF)C2)C1 ZINC001567846244 1124137477 /nfs/dbraw/zinc/13/74/77/1124137477.db2.gz OHCTWNYZRUNVTI-DLBZAZTESA-N 1 3 327.488 2.295 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CCNCc2ocnc2C)C1 ZINC001568669901 1124683646 /nfs/dbraw/zinc/68/36/46/1124683646.db2.gz YRHGDSVZXDLADB-GDBMZVCRSA-N 1 3 336.480 2.089 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CCNCc2ocnc2C)C1 ZINC001568669901 1124683648 /nfs/dbraw/zinc/68/36/48/1124683648.db2.gz YRHGDSVZXDLADB-GDBMZVCRSA-N 1 3 336.480 2.089 10 0 EEAEHO Cc1ncc(CNCC[C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)o1 ZINC001568695014 1124708679 /nfs/dbraw/zinc/70/86/79/1124708679.db2.gz UGOKUUUHHJPWMZ-AWEZNQCLSA-N 1 3 336.480 2.088 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC[C@H]1CC1(Cl)Cl)N(C)C ZINC001569017255 1125045153 /nfs/dbraw/zinc/04/51/53/1125045153.db2.gz FGPSAIXUSQMLRC-FRRDWIJNSA-N 1 3 338.323 2.251 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H](C[NH2+]C/C=C\Cl)C2CC2)C1 ZINC001569320182 1125227892 /nfs/dbraw/zinc/22/78/92/1125227892.db2.gz NEBKOOYVIJVYEE-RQTZVJPDSA-N 1 3 345.890 2.436 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001565876981 1125447911 /nfs/dbraw/zinc/44/79/11/1125447911.db2.gz ZZHVKICQRHCHHY-SHTZXODSSA-N 1 3 338.883 2.061 10 0 EEAEHO CCC[NH+](CCC)CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000364214532 283214212 /nfs/dbraw/zinc/21/42/12/283214212.db2.gz LJIPVNQYCUCZPC-JTDSTZFVSA-N 1 3 339.524 2.147 10 0 EEAEHO NC1(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCOCC1 ZINC000261873123 283400328 /nfs/dbraw/zinc/40/03/28/283400328.db2.gz OJLDDCVDPWVFSW-UHFFFAOYSA-N 1 3 345.487 2.187 10 0 EEAEHO COC[C@H](CCC[NH3+])NCc1c(C)nn(Cc2ccccc2)c1C ZINC000422781163 240220194 /nfs/dbraw/zinc/22/01/94/240220194.db2.gz DVPHNSRDAZLECV-SFHVURJKSA-N 1 3 330.476 2.392 10 0 EEAEHO COC[C@H](CCC[NH3+])N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422791503 240227841 /nfs/dbraw/zinc/22/78/41/240227841.db2.gz YPVFKTYFLWFJPK-DZGCQCFKSA-N 1 3 339.867 2.179 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000119079698 292240955 /nfs/dbraw/zinc/24/09/55/292240955.db2.gz BSZXBKDYBKTWIJ-GDBMZVCRSA-N 1 3 339.430 2.020 10 0 EEAEHO CCC[C@@](C)(N)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262666734 152304334 /nfs/dbraw/zinc/30/43/34/152304334.db2.gz KRDCEDLAMDMZIZ-UYAOXDASSA-N 1 3 347.503 2.066 10 0 EEAEHO CC[C@H](C)[C@@H](N)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000262680032 152305721 /nfs/dbraw/zinc/30/57/21/152305721.db2.gz WIOUDNULMKBHQM-WMLDXEAASA-N 1 3 348.491 2.070 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000186189548 160061971 /nfs/dbraw/zinc/06/19/71/160061971.db2.gz BDQLJECOAKIVMY-UHFFFAOYSA-N 1 3 347.503 2.479 10 0 EEAEHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCCN(C2CC2)CC1 ZINC000194670945 160198319 /nfs/dbraw/zinc/19/83/19/160198319.db2.gz AYCMGFOSZFDNCY-SFHVURJKSA-N 1 3 344.503 2.039 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000374439986 167043424 /nfs/dbraw/zinc/04/34/24/167043424.db2.gz WEHFQIRIYBDWOQ-GOSISDBHSA-N 1 3 345.487 2.231 10 0 EEAEHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000246111426 274095199 /nfs/dbraw/zinc/09/51/99/274095199.db2.gz HUNMTXJBMWNEQA-IAGOWNOFSA-N 1 3 334.508 2.153 10 0 EEAEHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000246111426 274095200 /nfs/dbraw/zinc/09/52/00/274095200.db2.gz HUNMTXJBMWNEQA-IAGOWNOFSA-N 1 3 334.508 2.153 10 0 EEAEHO c1nnn(Cc2ccccc2)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000291683393 275329732 /nfs/dbraw/zinc/32/97/32/275329732.db2.gz HYYCQJTXMCPWHA-UHFFFAOYSA-N 1 3 325.460 2.290 10 0 EEAEHO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(CN4CCCC4)c3)C2)C1 ZINC000293633852 293257139 /nfs/dbraw/zinc/25/71/39/293257139.db2.gz FOOHJITUEYIFQH-HXUWFJFHSA-N 1 3 327.472 2.450 10 0 EEAEHO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(CN4CCCC4)c3)C2)C1 ZINC000293633852 293257141 /nfs/dbraw/zinc/25/71/41/293257141.db2.gz FOOHJITUEYIFQH-HXUWFJFHSA-N 1 3 327.472 2.450 10 0 EEAEHO CC1(C)[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@@H]2CCO[C@@H]21 ZINC000397585615 312446674 /nfs/dbraw/zinc/44/66/74/312446674.db2.gz IYFOMXVTTIDRHP-OTWHNJEPSA-N 1 3 344.499 2.417 10 0 EEAEHO CC[NH+]1CCC(CCNCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000414359641 313004703 /nfs/dbraw/zinc/00/47/03/313004703.db2.gz OYUPJNJZKKPCIW-UHFFFAOYSA-N 1 3 330.519 2.363 10 0 EEAEHO C[NH+](C)CCOc1cccc(NC(=O)NC[C@H](N)c2ccccc2)c1 ZINC000414879303 313106070 /nfs/dbraw/zinc/10/60/70/313106070.db2.gz IKHSKCYVBXMEEG-SFHVURJKSA-N 1 3 342.443 2.449 10 0 EEAEHO CN(C)[C@@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000416800644 313319791 /nfs/dbraw/zinc/31/97/91/313319791.db2.gz FQEWYWPNODKJOY-ROUUACIJSA-N 1 3 326.444 2.289 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421682948 314141712 /nfs/dbraw/zinc/14/17/12/314141712.db2.gz BRXWSVMIJXEXML-UHFFFAOYSA-N 1 3 333.476 2.230 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000422185246 314198620 /nfs/dbraw/zinc/19/86/20/314198620.db2.gz YNBYXPPHSLZSJU-JLAWEPINSA-N 1 3 346.519 2.331 10 0 EEAEHO O[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCCO1 ZINC000527950601 317291377 /nfs/dbraw/zinc/29/13/77/317291377.db2.gz AKRJBUYRXUJZJP-OBKDMQGPSA-N 1 3 330.472 2.312 10 0 EEAEHO O[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCO1 ZINC000527950601 317291378 /nfs/dbraw/zinc/29/13/78/317291378.db2.gz AKRJBUYRXUJZJP-OBKDMQGPSA-N 1 3 330.472 2.312 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)COC2CCC([NH3+])CC2)C1 ZINC000565771827 319212575 /nfs/dbraw/zinc/21/25/75/319212575.db2.gz HWHLJTWEKPCIRX-ZTRSQXPZSA-N 1 3 345.487 2.225 10 0 EEAEHO CC(C)[C@H]1CC[C@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000574351640 320017853 /nfs/dbraw/zinc/01/78/53/320017853.db2.gz VKARMYKGQLVMFD-QRVBRYPASA-N 1 3 331.504 2.300 10 0 EEAEHO C[C@H]1CCN(CCNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000575805512 320115965 /nfs/dbraw/zinc/11/59/65/320115965.db2.gz NKWSIHKKJPPZIB-INIZCTEOSA-N 1 3 329.488 2.300 10 0 EEAEHO Cc1cc(NC(=O)[C@@H]2CCC[NH2+]C2)cc(N2CCN(C(C)C)CC2)c1 ZINC000577951286 320285772 /nfs/dbraw/zinc/28/57/72/320285772.db2.gz JLEXEWKDJQHTCF-QGZVFWFLSA-N 1 3 344.503 2.464 10 0 EEAEHO O=C(NCc1ccccc1CN1CCCCC1)NC1CC[NH2+]CC1 ZINC000580419919 324058392 /nfs/dbraw/zinc/05/83/92/324058392.db2.gz SXPIFTZKGHRFDF-UHFFFAOYSA-N 1 3 330.476 2.224 10 0 EEAEHO CC1=CCN(CCNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000358659743 465248464 /nfs/dbraw/zinc/24/84/64/465248464.db2.gz FHKBTFZXKGOWGB-GOSISDBHSA-N 1 3 330.476 2.241 10 0 EEAEHO CN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CN2CCC1CC2 ZINC000347918688 465308810 /nfs/dbraw/zinc/30/88/10/465308810.db2.gz CCOQKBQJJNCOBF-FQEVSTJZSA-N 1 3 341.499 2.451 10 0 EEAEHO CCN(C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000568288708 468316024 /nfs/dbraw/zinc/31/60/24/468316024.db2.gz IBALUNKWMFXCBG-BPQIPLTHSA-N 1 3 330.476 2.215 10 0 EEAEHO CCCN1CCC(C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000568384039 468328614 /nfs/dbraw/zinc/32/86/14/468328614.db2.gz TYCOVFSHUHHTLM-UHFFFAOYSA-N 1 3 342.480 2.311 10 0 EEAEHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CCCN(C)C1 ZINC000052519287 463084181 /nfs/dbraw/zinc/08/41/81/463084181.db2.gz COEJRPJWNIBOCY-SFHVURJKSA-N 1 3 332.492 2.422 10 0 EEAEHO O=C(CN1CC[C@@H](Cc2ccccc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000124306357 463407673 /nfs/dbraw/zinc/40/76/73/463407673.db2.gz ZNHOYDWLRNGBKT-SFHVURJKSA-N 1 3 341.499 2.294 10 0 EEAEHO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(OCCN(C)C)cc1 ZINC000125458745 463545843 /nfs/dbraw/zinc/54/58/43/463545843.db2.gz ZRSUVLGSZRTSFX-APWZRJJASA-N 1 3 336.476 2.067 10 0 EEAEHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccsc1 ZINC000170829513 463715947 /nfs/dbraw/zinc/71/59/47/463715947.db2.gz GKRFJPPQVAFRHQ-HOTGVXAUSA-N 1 3 338.521 2.477 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCN1C ZINC000246113848 464546043 /nfs/dbraw/zinc/54/60/43/464546043.db2.gz HZGKKZQMVKAWBO-BZUAXINKSA-N 1 3 326.529 2.477 10 0 EEAEHO C[C@@H]1CC[C@@H](C)N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000176382051 464761270 /nfs/dbraw/zinc/76/12/70/464761270.db2.gz KTTYZEVHGKPECR-HZPDHXFCSA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000337357205 465325428 /nfs/dbraw/zinc/32/54/28/465325428.db2.gz FQWRDIDZPOLCFO-HKUYNNGSSA-N 1 3 344.503 2.435 10 0 EEAEHO C[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000337357205 465325437 /nfs/dbraw/zinc/32/54/37/465325437.db2.gz FQWRDIDZPOLCFO-HKUYNNGSSA-N 1 3 344.503 2.435 10 0 EEAEHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCN1CCc2ccccc2C1 ZINC000348900393 465863870 /nfs/dbraw/zinc/86/38/70/465863870.db2.gz MUBCOFPYBYQKFB-LPHOPBHVSA-N 1 3 329.488 2.233 10 0 EEAEHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CCN1CCc2ccccc2C1 ZINC000348900393 465863881 /nfs/dbraw/zinc/86/38/81/465863881.db2.gz MUBCOFPYBYQKFB-LPHOPBHVSA-N 1 3 329.488 2.233 10 0 EEAEHO C[N@@H+]1CC[C@H](NC[C@@H]2CN(Cc3ccccc3)CCO2)[C@H]2CCC[C@H]21 ZINC000353444903 465888581 /nfs/dbraw/zinc/88/85/81/465888581.db2.gz GVFIADXWCGEJPV-MXEMCNAFSA-N 1 3 343.515 2.350 10 0 EEAEHO C[N@H+]1CC[C@H](NC[C@@H]2CN(Cc3ccccc3)CCO2)[C@H]2CCC[C@H]21 ZINC000353444903 465888588 /nfs/dbraw/zinc/88/85/88/465888588.db2.gz GVFIADXWCGEJPV-MXEMCNAFSA-N 1 3 343.515 2.350 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC1CC(c2ccccc2)C1 ZINC000555217038 468465073 /nfs/dbraw/zinc/46/50/73/468465073.db2.gz COCPSHWTZNIOSJ-UHFFFAOYSA-N 1 3 346.519 2.315 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000340557875 466170245 /nfs/dbraw/zinc/17/02/45/466170245.db2.gz NNKVQLDBHSZAFY-GOSISDBHSA-N 1 3 333.476 2.118 10 0 EEAEHO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000349661255 466179921 /nfs/dbraw/zinc/17/99/21/466179921.db2.gz HNPMUQZBNSGUKU-WMZOPIPTSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000349661255 466179925 /nfs/dbraw/zinc/17/99/25/466179925.db2.gz HNPMUQZBNSGUKU-WMZOPIPTSA-N 1 3 336.524 2.377 10 0 EEAEHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1F ZINC000367603345 466441959 /nfs/dbraw/zinc/44/19/59/466441959.db2.gz ZEWCTWDNTJHZMN-NXHRZFHOSA-N 1 3 333.451 2.326 10 0 EEAEHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1F ZINC000367603345 466441968 /nfs/dbraw/zinc/44/19/68/466441968.db2.gz ZEWCTWDNTJHZMN-NXHRZFHOSA-N 1 3 333.451 2.326 10 0 EEAEHO C[C@@H]1C[C@@H]1N1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000358187668 466523984 /nfs/dbraw/zinc/52/39/84/466523984.db2.gz ZPACHXDTTUCEEO-ZJXIFLPPSA-N 1 3 341.499 2.496 10 0 EEAEHO C[C@@H]1C[C@@H]1N1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000358187668 466523989 /nfs/dbraw/zinc/52/39/89/466523989.db2.gz ZPACHXDTTUCEEO-ZJXIFLPPSA-N 1 3 341.499 2.496 10 0 EEAEHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417323295 466834342 /nfs/dbraw/zinc/83/43/42/466834342.db2.gz GUCSBLIFPWHKOJ-ROUUACIJSA-N 1 3 346.519 2.320 10 0 EEAEHO CC(C)N1CCN(C2CC[NH+](C[C@H](O)CC3CCCC3)CC2)CC1 ZINC000373697874 466891268 /nfs/dbraw/zinc/89/12/68/466891268.db2.gz RTZDTPDAEOGJKI-HXUWFJFHSA-N 1 3 337.552 2.418 10 0 EEAEHO CN(C(=O)NC[C@]1(C)CCCN1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000418046535 467033596 /nfs/dbraw/zinc/03/35/96/467033596.db2.gz QSWRDFHZOCAQCO-FQEVSTJZSA-N 1 3 344.503 2.435 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NCc1ccccc1N(C)C1CCN(C)CC1 ZINC000414945128 467455311 /nfs/dbraw/zinc/45/53/11/467455311.db2.gz QZJYKBWJBNHXCG-APWZRJJASA-N 1 3 330.520 2.305 10 0 EEAEHO C[C@@H](Cn1cncn1)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449098996 467618115 /nfs/dbraw/zinc/61/81/15/467618115.db2.gz LVCXIOJOJUJWHQ-IRXDYDNUSA-N 1 3 327.476 2.352 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)[C@H]2CCN(C3CC3)C2)CC1 ZINC000530966295 468020778 /nfs/dbraw/zinc/02/07/78/468020778.db2.gz UXJNVNDSBXOMKT-SFHVURJKSA-N 1 3 342.487 2.302 10 0 EEAEHO C[C@H](CN1CCCCC1)NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000567731180 468198562 /nfs/dbraw/zinc/19/85/62/468198562.db2.gz GXOCICNLAKZCSS-CRAIPNDOSA-N 1 3 330.476 2.129 10 0 EEAEHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000584478049 468881902 /nfs/dbraw/zinc/88/19/02/468881902.db2.gz FSOLPKJCLGQEOM-HZPDHXFCSA-N 1 3 330.476 2.065 10 0 EEAEHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000584478049 468881907 /nfs/dbraw/zinc/88/19/07/468881907.db2.gz FSOLPKJCLGQEOM-HZPDHXFCSA-N 1 3 330.476 2.065 10 0 EEAEHO CCC[NH+](CCC)CCCC(=O)N1CCOC[C@H]1[C@@H]1CCCN1C ZINC000615262531 469195370 /nfs/dbraw/zinc/19/53/70/469195370.db2.gz GLGVGZBQUOXVDQ-ROUUACIJSA-N 1 3 339.524 2.210 10 0 EEAEHO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625940438 469442408 /nfs/dbraw/zinc/44/24/08/469442408.db2.gz ZRWRGKHYPVXMMB-UHFFFAOYSA-N 1 3 334.464 2.411 10 0 EEAEHO CC(C)(C)N1CC[C@H]1CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000617007542 469568285 /nfs/dbraw/zinc/56/82/85/469568285.db2.gz VKZALZMOOJZKBG-HOTGVXAUSA-N 1 3 339.549 2.193 10 0 EEAEHO C[NH2+]CCOCCN[C@@H]1CCCOc2c(Br)cccc21 ZINC000629529584 469573092 /nfs/dbraw/zinc/57/30/92/469573092.db2.gz HPKAXIXGONSAIO-CQSZACIVSA-N 1 3 343.265 2.488 10 0 EEAEHO C[C@@H]1CC[C@@H](NCc2ccccc2N(C)C2CCN(C)CC2)C[NH2+]1 ZINC000629660592 469601071 /nfs/dbraw/zinc/60/10/71/469601071.db2.gz WFMCSBBQPTXOHC-SJLPKXTDSA-N 1 3 330.520 2.447 10 0 EEAEHO CN(CCOCC[NH3+])Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000629665053 469602025 /nfs/dbraw/zinc/60/20/25/469602025.db2.gz NDOHFAMZXICURB-UHFFFAOYSA-N 1 3 343.475 2.467 10 0 EEAEHO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCN(C)C(C)(C)C2)c1 ZINC000623398289 469642607 /nfs/dbraw/zinc/64/26/07/469642607.db2.gz BHHLUJURRIDTIT-ZFWWWQNUSA-N 1 3 339.505 2.118 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c(F)ccc2ccncc21 ZINC000617502624 469700831 /nfs/dbraw/zinc/70/08/31/469700831.db2.gz WNZWNYJFZHZOON-AWEZNQCLSA-N 1 3 346.450 2.376 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c(F)ccc2ccncc21 ZINC000617502624 469700834 /nfs/dbraw/zinc/70/08/34/469700834.db2.gz WNZWNYJFZHZOON-AWEZNQCLSA-N 1 3 346.450 2.376 10 0 EEAEHO Cc1noc(C)c1[C@@H](C)CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506294 469706333 /nfs/dbraw/zinc/70/63/33/469706333.db2.gz JCVZHTBAZSXPNA-KBPBESRZSA-N 1 3 338.496 2.173 10 0 EEAEHO Cc1noc(C)c1[C@@H](C)CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506294 469706335 /nfs/dbraw/zinc/70/63/35/469706335.db2.gz JCVZHTBAZSXPNA-KBPBESRZSA-N 1 3 338.496 2.173 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N[C@H](CN)c2ccc3ccccc3c2)C[NH2+]1 ZINC000627083517 469808956 /nfs/dbraw/zinc/80/89/56/469808956.db2.gz UMONGGVHOYZFQI-JEBQAFNWSA-N 1 3 326.444 2.279 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000627158028 469828169 /nfs/dbraw/zinc/82/81/69/469828169.db2.gz HDXZMLZWVQBHMY-GBESFXJTSA-N 1 3 344.503 2.085 10 0 EEAEHO CN1CCOC[C@@H]1CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000624175742 469865391 /nfs/dbraw/zinc/86/53/91/469865391.db2.gz WFQWOGLJTSYATK-IVAOSVALSA-N 1 3 343.515 2.207 10 0 EEAEHO CN1CCOC[C@@H]1CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000624175742 469865395 /nfs/dbraw/zinc/86/53/95/469865395.db2.gz WFQWOGLJTSYATK-IVAOSVALSA-N 1 3 343.515 2.207 10 0 EEAEHO CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000624175742 469865398 /nfs/dbraw/zinc/86/53/98/469865398.db2.gz WFQWOGLJTSYATK-IVAOSVALSA-N 1 3 343.515 2.207 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCC2CCN(c3ccncc3)CC2)CC[N@@H+]1C ZINC000632287201 470213102 /nfs/dbraw/zinc/21/31/02/470213102.db2.gz YGMIRVUYLLNCIO-ZWKOTPCHSA-N 1 3 330.476 2.145 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCC2CCN(c3ccncc3)CC2)CC[N@H+]1C ZINC000632287201 470213103 /nfs/dbraw/zinc/21/31/03/470213103.db2.gz YGMIRVUYLLNCIO-ZWKOTPCHSA-N 1 3 330.476 2.145 10 0 EEAEHO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cnn(CCN(C)C)c1 ZINC000633063725 470337877 /nfs/dbraw/zinc/33/78/77/470337877.db2.gz FNBOJHOCTLDRQZ-UHFFFAOYSA-N 1 3 349.523 2.171 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)CC(F)F ZINC000645668919 470376678 /nfs/dbraw/zinc/37/66/78/470376678.db2.gz ITAVWLCWLOZTNZ-LSDHHAIUSA-N 1 3 348.482 2.335 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)CC(F)F ZINC000645668919 470376682 /nfs/dbraw/zinc/37/66/82/470376682.db2.gz ITAVWLCWLOZTNZ-LSDHHAIUSA-N 1 3 348.482 2.335 10 0 EEAEHO C[C@H]1[C@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000654565107 471073320 /nfs/dbraw/zinc/07/33/20/471073320.db2.gz HUKHGUNXARYPHE-GDAAHCPNSA-N 1 3 344.503 2.289 10 0 EEAEHO CC(C)[NH+]1CCC(NC[C@@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC000658343964 471291307 /nfs/dbraw/zinc/29/13/07/471291307.db2.gz MXDJSTRGQZLMQN-OAQYLSRUSA-N 1 3 344.547 2.265 10 0 EEAEHO CC(C)N1CCC([NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC000658343964 471291309 /nfs/dbraw/zinc/29/13/09/471291309.db2.gz MXDJSTRGQZLMQN-OAQYLSRUSA-N 1 3 344.547 2.265 10 0 EEAEHO COc1cnccc1N1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000660453457 471349548 /nfs/dbraw/zinc/34/95/48/471349548.db2.gz NPPUXNGNHOAVFC-IRXDYDNUSA-N 1 3 332.492 2.190 10 0 EEAEHO [NH3+]C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(F)(F)F ZINC000655515318 471360294 /nfs/dbraw/zinc/36/02/94/471360294.db2.gz XWLJIPVLZASVMD-GXTWGEPZSA-N 1 3 347.356 2.044 10 0 EEAEHO CCN(C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000663656223 471461976 /nfs/dbraw/zinc/46/19/76/471461976.db2.gz WWGAQEMSPOSEHP-KSZLIROESA-N 1 3 338.540 2.480 10 0 EEAEHO CCN(C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000663656223 471461979 /nfs/dbraw/zinc/46/19/79/471461979.db2.gz WWGAQEMSPOSEHP-KSZLIROESA-N 1 3 338.540 2.480 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000669420567 471489467 /nfs/dbraw/zinc/48/94/67/471489467.db2.gz QNHXRKQGXPTBTA-NEWSRXKRSA-N 1 3 344.503 2.196 10 0 EEAEHO O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000653166139 471515871 /nfs/dbraw/zinc/51/58/71/471515871.db2.gz ZBKRHZADSVVBQN-MTQWCTHYSA-N 1 3 339.483 2.250 10 0 EEAEHO CC[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC[C@H]1[NH3+] ZINC000669545844 471544983 /nfs/dbraw/zinc/54/49/83/471544983.db2.gz FEMPCOZVCVVKMW-DDBAPUKQSA-N 1 3 330.476 2.201 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)NC1CCC2(CC2(F)F)CC1 ZINC000666854144 471563019 /nfs/dbraw/zinc/56/30/19/471563019.db2.gz QIYRDVUYPFZRCV-UHFFFAOYSA-N 1 3 346.466 2.089 10 0 EEAEHO CCCN1CC[C@H](NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1 ZINC000659609718 471698661 /nfs/dbraw/zinc/69/86/61/471698661.db2.gz LDCSOXYQZKQCSA-KSZLIROESA-N 1 3 348.466 2.136 10 0 EEAEHO CCN(C(=O)N[C@H](C)C[NH2+]C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000659639464 471706678 /nfs/dbraw/zinc/70/66/78/471706678.db2.gz ZQNAIRFGGIDYBC-JFIYKMOQSA-N 1 3 332.492 2.461 10 0 EEAEHO C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@@H]3CCN3C(C)(C)C)C2)CC1 ZINC000661403398 471744265 /nfs/dbraw/zinc/74/42/65/471744265.db2.gz LAQYBNINBFYJFI-IRXDYDNUSA-N 1 3 336.524 2.233 10 0 EEAEHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667789603 471905365 /nfs/dbraw/zinc/90/53/65/471905365.db2.gz SWTJWYIXSRGWFM-SFTDATJTSA-N 1 3 343.515 2.481 10 0 EEAEHO CC(C)N1CCN(CCCN2c3ccccc3CC[C@H]2C[NH3+])CC1 ZINC000662304867 472063609 /nfs/dbraw/zinc/06/36/09/472063609.db2.gz NGSLHGBFTDSAOZ-IBGZPJMESA-N 1 3 330.520 2.183 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000665764242 472178600 /nfs/dbraw/zinc/17/86/00/472178600.db2.gz YXRCIRKKUYJOJV-STEXWYFWSA-N 1 3 348.535 2.112 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000665764242 472178605 /nfs/dbraw/zinc/17/86/05/472178605.db2.gz YXRCIRKKUYJOJV-STEXWYFWSA-N 1 3 348.535 2.112 10 0 EEAEHO CC(C)[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662713117 472218647 /nfs/dbraw/zinc/21/86/47/472218647.db2.gz XNKSDWBQCQKLRT-MSOLQXFVSA-N 1 3 329.488 2.388 10 0 EEAEHO CC(C)[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662713117 472218653 /nfs/dbraw/zinc/21/86/53/472218653.db2.gz XNKSDWBQCQKLRT-MSOLQXFVSA-N 1 3 329.488 2.388 10 0 EEAEHO [NH3+]C1(CC(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CC1 ZINC000662727176 472223459 /nfs/dbraw/zinc/22/34/59/472223459.db2.gz ZLCPMEXDDRBZGI-IBGZPJMESA-N 1 3 327.472 2.383 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1c1ccncc1 ZINC000665637626 485613178 /nfs/dbraw/zinc/61/31/78/485613178.db2.gz JFXKRVUTCRDHND-WMZOPIPTSA-N 1 3 347.507 2.200 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1c1ccncc1 ZINC000665637626 485613183 /nfs/dbraw/zinc/61/31/83/485613183.db2.gz JFXKRVUTCRDHND-WMZOPIPTSA-N 1 3 347.507 2.200 10 0 EEAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000629545020 485732222 /nfs/dbraw/zinc/73/22/22/485732222.db2.gz PCUOSXOERLDRDQ-YRBFXIGRSA-N 1 3 341.455 2.324 10 0 EEAEHO [NH3+]C[C@H](C(=O)Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(F)cc1 ZINC000659365185 490599944 /nfs/dbraw/zinc/59/99/44/490599944.db2.gz DTQFXJALUXTXAS-ZWKOTPCHSA-N 1 3 343.402 2.168 10 0 EEAEHO CC(C)(CC[NH3+])NC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000422621429 535023998 /nfs/dbraw/zinc/02/39/98/535023998.db2.gz QDDJEVWETQQOBG-LJQANCHMSA-N 1 3 332.492 2.468 10 0 EEAEHO CN(C)C[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000246752220 535945135 /nfs/dbraw/zinc/94/51/35/535945135.db2.gz AFFKHBBILSSBHZ-DOTOQJQBSA-N 1 3 326.868 2.101 10 0 EEAEHO CN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000246752220 535945140 /nfs/dbraw/zinc/94/51/40/535945140.db2.gz AFFKHBBILSSBHZ-DOTOQJQBSA-N 1 3 326.868 2.101 10 0 EEAEHO COC[C@@H](CCC[NH3+])NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422845827 536597034 /nfs/dbraw/zinc/59/70/34/536597034.db2.gz OUYXOPRTZZADCO-GOSISDBHSA-N 1 3 342.443 2.177 10 0 EEAEHO O=C(NC1CCC([NH+]2CCCCC2)CC1)N1CC[C@H](N2CC=CC2)C1 ZINC000751103078 577748140 /nfs/dbraw/zinc/74/81/40/577748140.db2.gz MDDGLKSEQBINAW-ACBHZAAOSA-N 1 3 346.519 2.439 10 0 EEAEHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cnc(C)o1)N(C)C ZINC001267169226 1178389904 /nfs/dbraw/zinc/38/99/04/1178389904.db2.gz LMRYQEKYIJXAQY-DOTOQJQBSA-N 1 3 336.480 2.184 10 0 EEAEHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@H+]1Cc1cnc(C)o1)N(C)C ZINC001267169226 1178389914 /nfs/dbraw/zinc/38/99/14/1178389914.db2.gz LMRYQEKYIJXAQY-DOTOQJQBSA-N 1 3 336.480 2.184 10 0 EEAEHO Cc1ncoc1CN1CC[C@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001481434527 1181330447 /nfs/dbraw/zinc/33/04/47/1181330447.db2.gz AUKLGEGXJKMWSA-DLBZAZTESA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncoc1CN1CC[C@H](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001481434527 1181330453 /nfs/dbraw/zinc/33/04/53/1181330453.db2.gz AUKLGEGXJKMWSA-DLBZAZTESA-N 1 3 348.491 2.186 10 0 EEAEHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001268229386 1182044014 /nfs/dbraw/zinc/04/40/14/1182044014.db2.gz ZOIGPXHDZYRFDW-HNNXBMFYSA-N 1 3 340.899 2.306 10 0 EEAEHO Cc1nc(C)c(CNCC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001268388055 1182432869 /nfs/dbraw/zinc/43/28/69/1182432869.db2.gz AIBDBAVMSDULNN-ZDUSSCGKSA-N 1 3 336.480 2.150 10 0 EEAEHO CCN(CCNCc1cccnc1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001268458719 1182739903 /nfs/dbraw/zinc/73/99/03/1182739903.db2.gz QPXJOFWECMEKPK-ROUUACIJSA-N 1 3 330.476 2.037 10 0 EEAEHO CCN(CCNCc1cccnc1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001268458719 1182739905 /nfs/dbraw/zinc/73/99/05/1182739905.db2.gz QPXJOFWECMEKPK-ROUUACIJSA-N 1 3 330.476 2.037 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC2(CNCc3cncc(F)c3)CCCC2)CC[N@@H+]1C ZINC001481896877 1182906509 /nfs/dbraw/zinc/90/65/09/1182906509.db2.gz FXQDMHQNYLBTCF-RHSMWYFYSA-N 1 3 348.466 2.080 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC2(CNCc3cncc(F)c3)CCCC2)CC[N@H+]1C ZINC001481896877 1182906513 /nfs/dbraw/zinc/90/65/13/1182906513.db2.gz FXQDMHQNYLBTCF-RHSMWYFYSA-N 1 3 348.466 2.080 10 0 EEAEHO CN(CC(=O)NC1(C[NH2+]Cc2cncc(F)c2)CCCC1)C1CCC1 ZINC001481897783 1182909327 /nfs/dbraw/zinc/90/93/27/1182909327.db2.gz LGLKNQFFGYJVTO-UHFFFAOYSA-N 1 3 348.466 2.224 10 0 EEAEHO Cc1ncoc1CNC[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001481963356 1183036861 /nfs/dbraw/zinc/03/68/61/1183036861.db2.gz VRNUDIVONSRDND-RDTXWAMCSA-N 1 3 336.480 2.089 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cccnc2C)C1)N(C)C ZINC001269766985 1184604361 /nfs/dbraw/zinc/60/43/61/1184604361.db2.gz ZCTDEBXOOJDGQB-HKUYNNGSSA-N 1 3 346.519 2.449 10 0 EEAEHO CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2ccns2)CC1)N(C)C ZINC001269878059 1184688966 /nfs/dbraw/zinc/68/89/66/1184688966.db2.gz ZVKOMAALEJHIJB-MRXNPFEDSA-N 1 3 338.521 2.202 10 0 EEAEHO CC(C)OCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001270144097 1184881438 /nfs/dbraw/zinc/88/14/38/1184881438.db2.gz PUSWBIZSQUXNBZ-MSOLQXFVSA-N 1 3 339.524 2.255 10 0 EEAEHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001482354907 1185493735 /nfs/dbraw/zinc/49/37/35/1185493735.db2.gz BAKYFKKFGOBPGW-HNNXBMFYSA-N 1 3 330.476 2.446 10 0 EEAEHO CN(C)Cc1cccc(C(=O)N[C@H](C[NH2+]CCO)C2CCCCC2)c1 ZINC001271353756 1186156334 /nfs/dbraw/zinc/15/63/34/1186156334.db2.gz JFYZRHTZHZNLIU-LJQANCHMSA-N 1 3 347.503 2.009 10 0 EEAEHO Cc1cc(C[NH2+][C@@H](CNC(=O)CN(C)C2CCC2)C(C)C)sn1 ZINC001482531465 1186526400 /nfs/dbraw/zinc/52/64/00/1186526400.db2.gz AHQCJIONXCFSMF-INIZCTEOSA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1cncc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CN(C)C(C)C)c1 ZINC001482698832 1187668977 /nfs/dbraw/zinc/66/89/77/1187668977.db2.gz NPMOUVUFAVHZRU-MSOLQXFVSA-N 1 3 332.492 2.105 10 0 EEAEHO Cc1ncccc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001482699991 1187677918 /nfs/dbraw/zinc/67/79/18/1187677918.db2.gz XZRLKRFAONPFPW-QZTJIDSGSA-N 1 3 332.492 2.105 10 0 EEAEHO Cc1ncc(CNCC[C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)o1 ZINC001482893661 1187821187 /nfs/dbraw/zinc/82/11/87/1187821187.db2.gz ZPAQIHAPBJZRBF-CQSZACIVSA-N 1 3 348.491 2.089 10 0 EEAEHO Cc1nc(C)c(CNC/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C)s1 ZINC001483087925 1188450519 /nfs/dbraw/zinc/45/05/19/1188450519.db2.gz SKOITSVBCBSIHL-XITLMJRVSA-N 1 3 338.521 2.108 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001483172267 1189023600 /nfs/dbraw/zinc/02/36/00/1189023600.db2.gz LJLOTWDAVUCGNY-HIFRSBDPSA-N 1 3 331.451 2.389 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001483287105 1190311242 /nfs/dbraw/zinc/31/12/42/1190311242.db2.gz LQMZARIUVBGLLQ-WCQYABFASA-N 1 3 328.407 2.180 10 0 EEAEHO CCOCCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001486137989 1193692717 /nfs/dbraw/zinc/69/27/17/1193692717.db2.gz WMAGLAVTWUSNLO-LPHOPBHVSA-N 1 3 347.503 2.367 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@@H](CC[NH2+]Cc3ccsc3)C2)C1 ZINC001272564176 1190879535 /nfs/dbraw/zinc/87/95/35/1190879535.db2.gz FWMWQJAWNOBITK-JKSUJKDBSA-N 1 3 335.517 2.418 10 0 EEAEHO Cc1ccc(F)cc1CNC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001483784835 1191026790 /nfs/dbraw/zinc/02/67/90/1191026790.db2.gz VDBBYFRFLPAFMU-OAHLLOKOSA-N 1 3 333.451 2.214 10 0 EEAEHO Cc1ccc(F)cc1CNC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001483784835 1191026793 /nfs/dbraw/zinc/02/67/93/1191026793.db2.gz VDBBYFRFLPAFMU-OAHLLOKOSA-N 1 3 333.451 2.214 10 0 EEAEHO CC[C@@H](C(=O)N1CCC([N@H+](CCOC)CC2CCC2)CC1)N(C)C ZINC001483820290 1191049188 /nfs/dbraw/zinc/04/91/88/1191049188.db2.gz YSOOTYUEPJTHSJ-SFHVURJKSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@@H](C(=O)N1CCC([N@@H+](CCOC)CC2CCC2)CC1)N(C)C ZINC001483820290 1191049190 /nfs/dbraw/zinc/04/91/90/1191049190.db2.gz YSOOTYUEPJTHSJ-SFHVURJKSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C3CC3)no2)C[C@@H]1C ZINC001483915582 1191115139 /nfs/dbraw/zinc/11/51/39/1191115139.db2.gz YCUFYLONBSEKLZ-HOCLYGCPSA-N 1 3 348.491 2.361 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C)nc1C ZINC001483951303 1191129405 /nfs/dbraw/zinc/12/94/05/1191129405.db2.gz AMRREOWXPOXZQJ-SFHVURJKSA-N 1 3 332.492 2.121 10 0 EEAEHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCCCC(F)(F)F ZINC001484377909 1191321391 /nfs/dbraw/zinc/32/13/91/1191321391.db2.gz KPQUJSOHDRNNOW-OLZOCXBDSA-N 1 3 346.397 2.369 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2cnoc2C)C1 ZINC001484551558 1191410570 /nfs/dbraw/zinc/41/05/70/1191410570.db2.gz LPLIYXCWNCMTNM-FUHWJXTLSA-N 1 3 348.491 2.186 10 0 EEAEHO CCC1([NH2+]Cc2cnc(C)o2)CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001484813775 1191534061 /nfs/dbraw/zinc/53/40/61/1191534061.db2.gz XIXJCHOCTANTLN-QGZVFWFLSA-N 1 3 348.491 2.328 10 0 EEAEHO CC[C@@H](C(=O)NC1(C[NH2+]CCC2CCCC2)CCOCC1)N(C)C ZINC001484868567 1191561324 /nfs/dbraw/zinc/56/13/24/1191561324.db2.gz QZZZCSUFODSCLI-KRWDZBQOSA-N 1 3 339.524 2.162 10 0 EEAEHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCCc1ccsc1 ZINC001484898213 1191568036 /nfs/dbraw/zinc/56/80/36/1191568036.db2.gz FBEBYIMRIAMRAF-BBRMVZONSA-N 1 3 332.473 2.083 10 0 EEAEHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC001484899076 1191568404 /nfs/dbraw/zinc/56/84/04/1191568404.db2.gz KLUNVXRZQUEEOF-YJBOKZPZSA-N 1 3 326.444 2.022 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CCc2ccccc2)C1 ZINC001485069268 1191636815 /nfs/dbraw/zinc/63/68/15/1191636815.db2.gz LJVIILOMURGWGF-ICSRJNTNSA-N 1 3 343.515 2.494 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CCc2ccccc2)C1 ZINC001485069268 1191636816 /nfs/dbraw/zinc/63/68/16/1191636816.db2.gz LJVIILOMURGWGF-ICSRJNTNSA-N 1 3 343.515 2.494 10 0 EEAEHO CC(C)N(CCN(C)CCOc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001486380190 1193891495 /nfs/dbraw/zinc/89/14/95/1193891495.db2.gz YVWUBYRNTSAHAD-GOSISDBHSA-N 1 3 347.503 2.186 10 0 EEAEHO CC(C)N(CCN(C)CCOc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001486380190 1193891498 /nfs/dbraw/zinc/89/14/98/1193891498.db2.gz YVWUBYRNTSAHAD-GOSISDBHSA-N 1 3 347.503 2.186 10 0 EEAEHO Cc1oncc1CNC1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001486482970 1193997313 /nfs/dbraw/zinc/99/73/13/1193997313.db2.gz AKPJVLZXNQEPQX-ABHNRTSZSA-N 1 3 348.491 2.182 10 0 EEAEHO CCCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CCO1 ZINC001273261137 1197847660 /nfs/dbraw/zinc/84/76/60/1197847660.db2.gz PXDNJNWQTWNIMM-KRWDZBQOSA-N 1 3 339.524 2.258 10 0 EEAEHO CN(CCON=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000871784358 1197900892 /nfs/dbraw/zinc/90/08/92/1197900892.db2.gz BPFLZDNQHXULAQ-AYHJJNSGSA-N 1 3 330.476 2.490 10 0 EEAEHO CN(CCON=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000871784358 1197900900 /nfs/dbraw/zinc/90/09/00/1197900900.db2.gz BPFLZDNQHXULAQ-AYHJJNSGSA-N 1 3 330.476 2.490 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000810351967 1199465282 /nfs/dbraw/zinc/46/52/82/1199465282.db2.gz CEWGJQHRCFEUIE-MAUKXSAKSA-N 1 3 325.472 2.286 10 0 EEAEHO CC[N@H+](C)CCC(=O)NC/C=C/CN[C@@H]1CCc2c1cccc2F ZINC001274489871 1205055963 /nfs/dbraw/zinc/05/59/63/1205055963.db2.gz NGHNIHRVXVNYDL-SHCNBLLESA-N 1 3 333.451 2.417 10 0 EEAEHO CC[N@@H+](C)CCC(=O)NC/C=C/CN[C@@H]1CCc2c1cccc2F ZINC001274489871 1205055966 /nfs/dbraw/zinc/05/59/66/1205055966.db2.gz NGHNIHRVXVNYDL-SHCNBLLESA-N 1 3 333.451 2.417 10 0 EEAEHO CC[C@@H](C(=O)NC/C=C\C[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001274506426 1205060495 /nfs/dbraw/zinc/06/04/95/1205060495.db2.gz AQGMFHXIYYMTOB-YVACAVLKSA-N 1 3 331.451 2.414 10 0 EEAEHO Cc1cccc(C)c1OCC[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001275179681 1205275862 /nfs/dbraw/zinc/27/58/62/1205275862.db2.gz LCZPACBIURMWBS-KRWDZBQOSA-N 1 3 347.503 2.261 10 0 EEAEHO COc1ccc(C)cc1[C@H](C)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925852997 1206161059 /nfs/dbraw/zinc/16/10/59/1206161059.db2.gz JDLYNXGGGQDSIX-GJZGRUSLSA-N 1 3 332.444 2.340 10 0 EEAEHO O[C@H](C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1)C1(O)CCC1 ZINC000929846694 1206508355 /nfs/dbraw/zinc/50/83/55/1206508355.db2.gz JFINVGICXCOGFK-HSALFYBXSA-N 1 3 344.499 2.249 10 0 EEAEHO O[C@H](C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1)C1(O)CCC1 ZINC000929846694 1206508357 /nfs/dbraw/zinc/50/83/57/1206508357.db2.gz JFINVGICXCOGFK-HSALFYBXSA-N 1 3 344.499 2.249 10 0 EEAEHO Cn1ccnc1COc1ccc(C[N@H+]2C[C@H]3CN(C)C[C@@]3(C)C2)cc1 ZINC000933735031 1207829351 /nfs/dbraw/zinc/82/93/51/1207829351.db2.gz ITIRDNYNQNBZFI-XLIONFOSSA-N 1 3 340.471 2.383 10 0 EEAEHO Cn1ccnc1COc1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@@]3(C)C2)cc1 ZINC000933735031 1207829353 /nfs/dbraw/zinc/82/93/53/1207829353.db2.gz ITIRDNYNQNBZFI-XLIONFOSSA-N 1 3 340.471 2.383 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN(C)CCOc2ccccc2C)cnn1C ZINC000903876129 1242275994 /nfs/dbraw/zinc/27/59/94/1242275994.db2.gz DEPDLQKONJAVBQ-QGZVFWFLSA-N 1 3 330.476 2.165 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CN(Cc2cccc(O)c2)CC2CC2)cnn1C ZINC000903889089 1242342513 /nfs/dbraw/zinc/34/25/13/1242342513.db2.gz OIERBVHRKHNPDL-SFHVURJKSA-N 1 3 342.487 2.464 10 0 EEAEHO Cc1c(C[C@H](CN)C[NH2+]C[C@@H](c2cccnc2)C(C)C)cnn1C ZINC000903922742 1242515633 /nfs/dbraw/zinc/51/56/33/1242515633.db2.gz DDULNCGVAJJUPX-VQIMIIECSA-N 1 3 329.492 2.270 10 0 EEAEHO CCOc1ccc(CNC[C@H](C[NH3+])Cc2cnn(C)c2C)cc1OC ZINC000903923408 1242516050 /nfs/dbraw/zinc/51/60/50/1242516050.db2.gz SVYMQNXXXWYRAD-INIZCTEOSA-N 1 3 346.475 2.043 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN2CCC([C@@H]3CCCCO3)CC2)cnn1C ZINC000903932968 1242556053 /nfs/dbraw/zinc/55/60/53/1242556053.db2.gz IQSGSBRUJZXTSB-APWZRJJASA-N 1 3 334.508 2.127 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NC[C@H](C)[NH+]2CCCCC2)cc(Cl)n1 ZINC000827474395 1248159500 /nfs/dbraw/zinc/15/95/00/1248159500.db2.gz YFKUHIRUNCKIDO-ZFWWWQNUSA-N 1 3 338.883 2.424 10 0 EEAEHO CCN(CC[NH2+]Cc1ccc(Cl)s1)C(=O)CN1CCCC1 ZINC001273753876 1284844433 /nfs/dbraw/zinc/84/44/33/1284844433.db2.gz ZYFNQKFSXOQRGA-UHFFFAOYSA-N 1 3 329.897 2.435 10 0 EEAEHO Cc1cc(F)ccc1C[N@@H+](C)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001490251055 1291070366 /nfs/dbraw/zinc/07/03/66/1291070366.db2.gz VHVZLLLQEOYHOL-OAHLLOKOSA-N 1 3 335.467 2.414 10 0 EEAEHO Cc1cc(F)ccc1C[N@H+](C)CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001490251055 1291070375 /nfs/dbraw/zinc/07/03/75/1291070375.db2.gz VHVZLLLQEOYHOL-OAHLLOKOSA-N 1 3 335.467 2.414 10 0 EEAEHO Cc1cncc(CN(CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)c1 ZINC001490371851 1291256247 /nfs/dbraw/zinc/25/62/47/1291256247.db2.gz BZRDQZUVKYVPPR-VQIMIIECSA-N 1 3 344.503 2.201 10 0 EEAEHO Cc1cncc(CN(CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)c1 ZINC001490371851 1291256253 /nfs/dbraw/zinc/25/62/53/1291256253.db2.gz BZRDQZUVKYVPPR-VQIMIIECSA-N 1 3 344.503 2.201 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCc2ccc(C)nc2C)C1 ZINC001491558329 1303520380 /nfs/dbraw/zinc/52/03/80/1303520380.db2.gz JFMCENQESHJEOY-VQIMIIECSA-N 1 3 346.519 2.415 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCc2ccc(C)nc2C)C1 ZINC001491558329 1303520383 /nfs/dbraw/zinc/52/03/83/1303520383.db2.gz JFMCENQESHJEOY-VQIMIIECSA-N 1 3 346.519 2.415 10 0 EEAEHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001277938161 1305199356 /nfs/dbraw/zinc/19/93/56/1305199356.db2.gz PBIJSSBHYANEKW-JSGCOSHPSA-N 1 3 326.872 2.012 10 0 EEAEHO C[NH2+]CCC1CCN(C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000841849368 1315622498 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CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]CCC[C@@H](C)O)CCC1 ZINC001280521913 1324273156 /nfs/dbraw/zinc/27/31/56/1324273156.db2.gz FTXPUQLCROMYGA-SJORKVTESA-N 1 3 339.524 2.039 10 0 EEAEHO O=C(N[C@H](CNCCF)C1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001276641292 1324939470 /nfs/dbraw/zinc/93/94/70/1324939470.db2.gz LESWAWKHSWXIAN-SJORKVTESA-N 1 3 325.472 2.237 10 0 EEAEHO O=C(N[C@H](CNCCF)C1CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001276641292 1324939474 /nfs/dbraw/zinc/93/94/74/1324939474.db2.gz LESWAWKHSWXIAN-SJORKVTESA-N 1 3 325.472 2.237 10 0 EEAEHO CC(C)COCC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001281527075 1325227898 /nfs/dbraw/zinc/22/78/98/1325227898.db2.gz XVCJRZVSXXRFGC-KRWDZBQOSA-N 1 3 341.540 2.216 10 0 EEAEHO Cc1noc(C)c1CNC1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001284814703 1326726370 /nfs/dbraw/zinc/72/63/70/1326726370.db2.gz AREURQZEAYVTBI-UHFFFAOYSA-N 1 3 336.480 2.102 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001491854915 1330275148 /nfs/dbraw/zinc/27/51/48/1330275148.db2.gz AMNNNGBJAGGRFB-KGLIPLIRSA-N 1 3 335.414 2.251 10 0 EEAEHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCOCC1 ZINC001317433195 1332237646 /nfs/dbraw/zinc/23/76/46/1332237646.db2.gz CYWRXTSCZDALHP-SFHVURJKSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[N@H+]1CC1CCOCC1 ZINC001317433195 1332237650 /nfs/dbraw/zinc/23/76/50/1332237650.db2.gz CYWRXTSCZDALHP-SFHVURJKSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCNCc1cnn(C(C)(C)C)c1 ZINC001317668522 1332360838 /nfs/dbraw/zinc/36/08/38/1332360838.db2.gz DJOIUMHOLVDPHI-HZPDHXFCSA-N 1 3 349.523 2.059 10 0 EEAEHO CCCN(C(=O)[C@H]1CCCN1C(C)C)[C@@H]1CC[N@@H+](CCCOC)C1 ZINC001317759865 1332400043 /nfs/dbraw/zinc/40/00/43/1332400043.db2.gz UXVDTTCLUBPAFH-QZTJIDSGSA-N 1 3 339.524 2.209 10 0 EEAEHO CCCN(C(=O)[C@H]1CCCN1C(C)C)[C@@H]1CC[N@H+](CCCOC)C1 ZINC001317759865 1332400041 /nfs/dbraw/zinc/40/00/41/1332400041.db2.gz UXVDTTCLUBPAFH-QZTJIDSGSA-N 1 3 339.524 2.209 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCC(F)(F)F ZINC001319869813 1332789319 /nfs/dbraw/zinc/78/93/19/1332789319.db2.gz QGFIHGLBKLZHOC-UONOGXRCSA-N 1 3 337.430 2.496 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CCNCc2cnc(C)o2)C1 ZINC001320527560 1332903111 /nfs/dbraw/zinc/90/31/11/1332903111.db2.gz ANJWFEAUTSBKMQ-ZBFHGGJFSA-N 1 3 336.480 2.089 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CCNCc2cnc(C)o2)C1 ZINC001320527560 1332903113 /nfs/dbraw/zinc/90/31/13/1332903113.db2.gz ANJWFEAUTSBKMQ-ZBFHGGJFSA-N 1 3 336.480 2.089 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/CNCc1cnccc1C ZINC001321083472 1333014527 /nfs/dbraw/zinc/01/45/27/1333014527.db2.gz KCOPBYONPMSTLU-WRFKIARRSA-N 1 3 330.476 2.026 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C/CNCc1cnccc1C ZINC001321083472 1333014529 /nfs/dbraw/zinc/01/45/29/1333014529.db2.gz KCOPBYONPMSTLU-WRFKIARRSA-N 1 3 330.476 2.026 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCc1ccc(Cl)cc1 ZINC001321190038 1333041039 /nfs/dbraw/zinc/04/10/39/1333041039.db2.gz SDPGTKJSMKKTOV-BAHPRDJBSA-N 1 3 335.879 2.239 10 0 EEAEHO Cc1cc(CNCCCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)on1 ZINC001322724679 1333315119 /nfs/dbraw/zinc/31/51/19/1333315119.db2.gz STAUATSYTMHCTH-INIZCTEOSA-N 1 3 336.480 2.186 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CCOCC)C1 ZINC001323641869 1333506808 /nfs/dbraw/zinc/50/68/08/1333506808.db2.gz LGBBOYHXWACGQB-MSOLQXFVSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@@H+](CCOCC)C1 ZINC001323641869 1333506810 /nfs/dbraw/zinc/50/68/10/1333506810.db2.gz LGBBOYHXWACGQB-MSOLQXFVSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001323659920 1333510774 /nfs/dbraw/zinc/51/07/74/1333510774.db2.gz HMBJVNGOOGMFAC-HQSKLWIPSA-N 1 3 339.524 2.111 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNCc2cnc(C)o2)C1 ZINC001326288981 1334060274 /nfs/dbraw/zinc/06/02/74/1334060274.db2.gz PVHVQAKZJXRIEA-AEFFLSMTSA-N 1 3 348.491 2.186 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNCc2cnc(C)o2)C1 ZINC001326288981 1334060278 /nfs/dbraw/zinc/06/02/78/1334060278.db2.gz PVHVQAKZJXRIEA-AEFFLSMTSA-N 1 3 348.491 2.186 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2ccnc(Cl)c2)C[C@H]1C ZINC001332052443 1335715193 /nfs/dbraw/zinc/71/51/93/1335715193.db2.gz YNUHIBIFCJGCBZ-UKRRQHHQSA-N 1 3 338.883 2.156 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2ccnc(Cl)c2)C[C@H]1C ZINC001332052443 1335715195 /nfs/dbraw/zinc/71/51/95/1335715195.db2.gz YNUHIBIFCJGCBZ-UKRRQHHQSA-N 1 3 338.883 2.156 10 0 EEAEHO CCN(CC[NH2+]Cc1ccc(C)nc1C)C(=O)CN1CCC(C)CC1 ZINC001668596974 1355970270 /nfs/dbraw/zinc/97/02/70/1355970270.db2.gz ONXOUFBUQZFFMV-UHFFFAOYSA-N 1 3 346.519 2.368 10 0 EEAEHO C[C@@H](F)CC[NH2+]CC[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001570009524 1342998429 /nfs/dbraw/zinc/99/84/29/1342998429.db2.gz IOLPKAXRQSMGSX-IAGOWNOFSA-N 1 3 327.488 2.295 10 0 EEAEHO COCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001570177530 1343026726 /nfs/dbraw/zinc/02/67/26/1343026726.db2.gz NSVLIXKZWCKHML-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO COCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001570177530 1343026728 /nfs/dbraw/zinc/02/67/28/1343026728.db2.gz NSVLIXKZWCKHML-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CNCC=C(Cl)Cl)C(C)(C)C)C1 ZINC001677306173 1357310538 /nfs/dbraw/zinc/31/05/38/1357310538.db2.gz CMRNOBINIMEFPL-RYUDHWBXSA-N 1 3 336.307 2.378 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)N[C@@H](CNCC=C(Cl)Cl)C(C)(C)C)C1 ZINC001677306173 1357310542 /nfs/dbraw/zinc/31/05/42/1357310542.db2.gz CMRNOBINIMEFPL-RYUDHWBXSA-N 1 3 336.307 2.378 10 0 EEAEHO Cc1ccccc1OCC[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001661610038 1354664483 /nfs/dbraw/zinc/66/44/83/1354664483.db2.gz FLVCRUAHPXSZJT-CALCHBBNSA-N 1 3 345.487 2.095 10 0 EEAEHO C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1NCc1cscn1 ZINC001667210098 1355674507 /nfs/dbraw/zinc/67/45/07/1355674507.db2.gz DSJKQINXLAWSBX-HOCLYGCPSA-N 1 3 338.521 2.202 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccc(F)c1F)N(C)C ZINC001668278625 1355914058 /nfs/dbraw/zinc/91/40/58/1355914058.db2.gz JUQHKYVWUHAERJ-IUODEOHRSA-N 1 3 327.419 2.289 10 0 EEAEHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C/CNCc2cc(F)cc(F)c2)C1 ZINC001669038830 1356073084 /nfs/dbraw/zinc/07/30/84/1356073084.db2.gz FOPOKXAPZTZSCD-BAABZTOOSA-N 1 3 337.414 2.069 10 0 EEAEHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/CNCc2cc(F)cc(F)c2)C1 ZINC001669038830 1356073088 /nfs/dbraw/zinc/07/30/88/1356073088.db2.gz FOPOKXAPZTZSCD-BAABZTOOSA-N 1 3 337.414 2.069 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C\C[NH2+]Cc1ccc(C(F)F)cc1 ZINC001669189282 1356120842 /nfs/dbraw/zinc/12/08/42/1356120842.db2.gz LUMLUFBCVXMPIW-UPHRSURJSA-N 1 3 337.414 2.482 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)CCCNCc1ccncc1Cl)[NH+](C)C ZINC001670129618 1356280898 /nfs/dbraw/zinc/28/08/98/1356280898.db2.gz AFUCGLKOIHTWNN-INIZCTEOSA-N 1 3 340.899 2.259 10 0 EEAEHO CC(C)CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCC2)CCO1 ZINC001673300165 1356663796 /nfs/dbraw/zinc/66/37/96/1356663796.db2.gz XXYXRVBOYQGJSH-KRWDZBQOSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(C(=O)N(C)C)cc1 ZINC000925775532 775047315 /nfs/dbraw/zinc/04/73/15/775047315.db2.gz GXMUYKJOHJXYJE-DOMZBBRYSA-N 1 3 325.403 2.284 10 0 EEAEHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC000908276310 785291915 /nfs/dbraw/zinc/29/19/15/785291915.db2.gz VYGVIOOTHHWCKD-SJLPKXTDSA-N 1 3 325.456 2.225 10 0 EEAEHO O[C@@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1Cl ZINC000819083949 785393955 /nfs/dbraw/zinc/39/39/55/785393955.db2.gz IQYXJHIWFRQCSP-KSSFIOAISA-N 1 3 338.879 2.464 10 0 EEAEHO COc1cccc2[nH]c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc21 ZINC000912303547 788102142 /nfs/dbraw/zinc/10/21/42/788102142.db2.gz KHFAIJZZAFBKTQ-AWEZNQCLSA-N 1 3 346.475 2.178 10 0 EEAEHO COc1cccc2[nH]c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc21 ZINC000912303547 788102148 /nfs/dbraw/zinc/10/21/48/788102148.db2.gz KHFAIJZZAFBKTQ-AWEZNQCLSA-N 1 3 346.475 2.178 10 0 EEAEHO CN(Cc1ccc(Br)cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923297948 789330755 /nfs/dbraw/zinc/33/07/55/789330755.db2.gz QEORFTNZYITHRR-CQSZACIVSA-N 1 3 325.250 2.259 10 0 EEAEHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1cncc(Br)c1)CC2 ZINC000923452377 789584852 /nfs/dbraw/zinc/58/48/52/789584852.db2.gz QKJGSEVAZCWODF-AWEZNQCLSA-N 1 3 340.265 2.174 10 0 EEAEHO FC(F)(F)c1ccccc1OCCCCN1CCNCC[NH2+]CC1 ZINC000923460214 789593079 /nfs/dbraw/zinc/59/30/79/789593079.db2.gz DNVYXOXGCZWUPF-UHFFFAOYSA-N 1 3 345.409 2.359 10 0 EEAEHO FC(F)(F)c1ccccc1OCCCC[NH+]1CCNCCNCC1 ZINC000923460214 789593086 /nfs/dbraw/zinc/59/30/86/789593086.db2.gz DNVYXOXGCZWUPF-UHFFFAOYSA-N 1 3 345.409 2.359 10 0 EEAEHO CCCOc1ccc(CNC(=O)CN2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923497653 789672513 /nfs/dbraw/zinc/67/25/13/789672513.db2.gz ICNXTCBKSSRPHB-NVXWUHKLSA-N 1 3 333.476 2.008 10 0 EEAEHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cn(C)nc2C2CCCC2)CC1 ZINC000921686238 794834292 /nfs/dbraw/zinc/83/42/92/794834292.db2.gz PRRLEJRHLKJCRO-QGZVFWFLSA-N 1 3 347.551 2.441 10 0 EEAEHO CN1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCC1=O ZINC000716673602 796405933 /nfs/dbraw/zinc/40/59/33/796405933.db2.gz PBQJBXNEUNAPTK-MANSERQUSA-N 1 3 327.472 2.250 10 0 EEAEHO Cc1cncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001436415130 1087769503 /nfs/dbraw/zinc/76/95/03/1087769503.db2.gz JKFCSRKZPDHXHX-UHOSZYNNSA-N 1 3 346.519 2.351 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1CCOCC1 ZINC001436663788 1088094568 /nfs/dbraw/zinc/09/45/68/1088094568.db2.gz HJZGFYGLNPESHG-SJLPKXTDSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@H](NCc1ccc(F)cn1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001436666211 1088100929 /nfs/dbraw/zinc/10/09/29/1088100929.db2.gz LHMKLGZQYCNQMG-WMLDXEAASA-N 1 3 336.455 2.032 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C1CC[NH+](C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001436699076 1088161568 /nfs/dbraw/zinc/16/15/68/1088161568.db2.gz LXQRLUHEWPGACO-IAGOWNOFSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)c1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C3CCC3)C2)n1 ZINC001436894362 1088543550 /nfs/dbraw/zinc/54/35/50/1088543550.db2.gz HDGITJCNEBAAQI-QAQDUYKDSA-N 1 3 344.503 2.426 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001436975187 1088670180 /nfs/dbraw/zinc/67/01/80/1088670180.db2.gz IYTXUHRBRJMDST-SOUVJXGZSA-N 1 3 331.451 2.391 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c(OC)c2)C1 ZINC001436975194 1088670281 /nfs/dbraw/zinc/67/02/81/1088670281.db2.gz JAAICZHMLFNQRT-CALCHBBNSA-N 1 3 333.476 2.082 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]C/C(Cl)=C\Cl)C1)N(C)C ZINC001437015730 1088799555 /nfs/dbraw/zinc/79/95/55/1088799555.db2.gz AVPXLLQGMKFRJC-FWRQMEPDSA-N 1 3 336.307 2.474 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCN(Cc3ccc(F)cc3)C2)C1 ZINC001437739921 1090301809 /nfs/dbraw/zinc/30/18/09/1090301809.db2.gz WSQPLJLOMNXETC-IAGOWNOFSA-N 1 3 333.451 2.106 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCN(Cc3ccc(F)cc3)C2)C1 ZINC001437739921 1090301817 /nfs/dbraw/zinc/30/18/17/1090301817.db2.gz WSQPLJLOMNXETC-IAGOWNOFSA-N 1 3 333.451 2.106 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@H]1CCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC001438192181 1090690441 /nfs/dbraw/zinc/69/04/41/1090690441.db2.gz NPYMQJLGNZZKMS-WMZOPIPTSA-N 1 3 333.451 2.345 10 0 EEAEHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCc1scnc1C ZINC001438293729 1090774982 /nfs/dbraw/zinc/77/49/82/1090774982.db2.gz FTOYQHMJNMBXBL-SOUVJXGZSA-N 1 3 338.521 2.166 10 0 EEAEHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCc1scnc1C ZINC001438293729 1090774986 /nfs/dbraw/zinc/77/49/86/1090774986.db2.gz FTOYQHMJNMBXBL-SOUVJXGZSA-N 1 3 338.521 2.166 10 0 EEAEHO CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)NCc1cncs1 ZINC001438380142 1090864083 /nfs/dbraw/zinc/86/40/83/1090864083.db2.gz VRIOOUQSBLFQCN-HOCLYGCPSA-N 1 3 338.521 2.248 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001445502596 1091280958 /nfs/dbraw/zinc/28/09/58/1091280958.db2.gz MTDWJZVZKJMETB-SJORKVTESA-N 1 3 331.504 2.226 10 0 EEAEHO Cc1ncccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001438760779 1091328150 /nfs/dbraw/zinc/32/81/50/1091328150.db2.gz ALLQNNNALMMRQJ-MAUKXSAKSA-N 1 3 332.492 2.057 10 0 EEAEHO Cc1cccc(OCCN(C)C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001445763670 1091615967 /nfs/dbraw/zinc/61/59/67/1091615967.db2.gz ZRXCJJXQYDECHA-YQVWRLOYSA-N 1 3 347.503 2.151 10 0 EEAEHO Cc1cccc(OCCN(C)C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001445763670 1091615971 /nfs/dbraw/zinc/61/59/71/1091615971.db2.gz ZRXCJJXQYDECHA-YQVWRLOYSA-N 1 3 347.503 2.151 10 0 EEAEHO CC(C)Oc1ccccc1CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439178599 1091825035 /nfs/dbraw/zinc/82/50/35/1091825035.db2.gz OLOOXGUMFUHURU-WBVHZDCISA-N 1 3 333.476 2.020 10 0 EEAEHO CC(C)Oc1ccccc1CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439178599 1091825041 /nfs/dbraw/zinc/82/50/41/1091825041.db2.gz OLOOXGUMFUHURU-WBVHZDCISA-N 1 3 333.476 2.020 10 0 EEAEHO C[NH+](C)CCC(=O)NCC1(C)CCN(Cc2ccccc2F)CC1 ZINC001439919866 1092996956 /nfs/dbraw/zinc/99/69/56/1092996956.db2.gz CBQQTKUBEKILRI-UHFFFAOYSA-N 1 3 335.467 2.496 10 0 EEAEHO C[C@@H]([NH2+]CCc1ccccc1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001440116691 1093177225 /nfs/dbraw/zinc/17/72/25/1093177225.db2.gz GMSOZOHBARBGSE-MJGOQNOKSA-N 1 3 329.488 2.152 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)NCc2cncs2)C1 ZINC001448714938 1093787485 /nfs/dbraw/zinc/78/74/85/1093787485.db2.gz ZCDFGVBLKPWPDZ-CABCVRRESA-N 1 3 338.521 2.202 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)NCc2cncs2)C1 ZINC001448714938 1093787493 /nfs/dbraw/zinc/78/74/93/1093787493.db2.gz ZCDFGVBLKPWPDZ-CABCVRRESA-N 1 3 338.521 2.202 10 0 EEAEHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](NCC=C(Cl)Cl)C(C)(C)C2)C1 ZINC001449086206 1094098280 /nfs/dbraw/zinc/09/82/80/1094098280.db2.gz OAPYIIICZLPVQR-CHWSQXEVSA-N 1 3 348.318 2.474 10 0 EEAEHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](NCC=C(Cl)Cl)C(C)(C)C2)C1 ZINC001449086206 1094098286 /nfs/dbraw/zinc/09/82/86/1094098286.db2.gz OAPYIIICZLPVQR-CHWSQXEVSA-N 1 3 348.318 2.474 10 0 EEAEHO CC(C)[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CCOCC1 ZINC001441404493 1094978009 /nfs/dbraw/zinc/97/80/09/1094978009.db2.gz NKKFMVNZRHFICB-QGZVFWFLSA-N 1 3 339.524 2.018 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)C[C@@H]1C ZINC001441830426 1095886639 /nfs/dbraw/zinc/88/66/39/1095886639.db2.gz GUXINUATMUPWPA-DZGCQCFKSA-N 1 3 339.430 2.384 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3conc3C)[C@@H]2C1 ZINC001441872811 1095989103 /nfs/dbraw/zinc/98/91/03/1095989103.db2.gz MSHNTLCTTRWCPY-CGTJXYLNSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1cccnc1CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001442141295 1096389479 /nfs/dbraw/zinc/38/94/79/1096389479.db2.gz MBKBKMCFEKDNPA-NUJGCVRESA-N 1 3 346.519 2.351 10 0 EEAEHO Cc1cccnc1CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)(C)C ZINC001442141295 1096389484 /nfs/dbraw/zinc/38/94/84/1096389484.db2.gz MBKBKMCFEKDNPA-NUJGCVRESA-N 1 3 346.519 2.351 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1cnc(C)s1)C(C)(C)C)N(C)C ZINC001442155412 1096410490 /nfs/dbraw/zinc/41/04/90/1096410490.db2.gz SDCKGBXDPYXPQA-HUUCEWRRSA-N 1 3 340.537 2.412 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NCC[N@H+](C)[C@@H]1CCc2ccc(Cl)cc21 ZINC001442382481 1096705229 /nfs/dbraw/zinc/70/52/29/1096705229.db2.gz UDZIVRFLNZTQPK-IAGOWNOFSA-N 1 3 335.879 2.470 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NCC[N@@H+](C)[C@@H]1CCc2ccc(Cl)cc21 ZINC001442382481 1096705235 /nfs/dbraw/zinc/70/52/35/1096705235.db2.gz UDZIVRFLNZTQPK-IAGOWNOFSA-N 1 3 335.879 2.470 10 0 EEAEHO COc1cccc([C@H](C)[N@H+](C)CCNC(=O)CN(C)C2CCC2)c1 ZINC001442412862 1096734435 /nfs/dbraw/zinc/73/44/35/1096734435.db2.gz KTFMYEJDODXFLS-HNNXBMFYSA-N 1 3 333.476 2.289 10 0 EEAEHO COc1cccc([C@H](C)[N@@H+](C)CCNC(=O)CN(C)C2CCC2)c1 ZINC001442412862 1096734442 /nfs/dbraw/zinc/73/44/42/1096734442.db2.gz KTFMYEJDODXFLS-HNNXBMFYSA-N 1 3 333.476 2.289 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CC1CC(F)(F)C1 ZINC001479815195 1099085307 /nfs/dbraw/zinc/08/53/07/1099085307.db2.gz AXUXMLZARRAKDF-OAHLLOKOSA-N 1 3 331.451 2.344 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CC1CC(F)(F)C1 ZINC001479815195 1099085319 /nfs/dbraw/zinc/08/53/19/1099085319.db2.gz AXUXMLZARRAKDF-OAHLLOKOSA-N 1 3 331.451 2.344 10 0 EEAEHO COc1ccc(Cl)cc1CNC[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001444669535 1099509678 /nfs/dbraw/zinc/50/96/78/1099509678.db2.gz QLNBPHMSSZUPLL-ZDUSSCGKSA-N 1 3 341.883 2.237 10 0 EEAEHO CN(C)C1(C(=O)NC2CCC([NH2+]Cc3cncc(F)c3)CC2)CCC1 ZINC001480403547 1100216716 /nfs/dbraw/zinc/21/67/16/1100216716.db2.gz QVRQWLJVMCXEDB-UHFFFAOYSA-N 1 3 348.466 2.222 10 0 EEAEHO Cc1ncsc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001446414764 1100823741 /nfs/dbraw/zinc/82/37/41/1100823741.db2.gz CIZVKHAULOLIQE-DZGCQCFKSA-N 1 3 338.521 2.261 10 0 EEAEHO CC(C)N(C)CC(=O)NC1(C)CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001446478870 1100907117 /nfs/dbraw/zinc/90/71/17/1100907117.db2.gz UCBUKJQEMKTQFR-GOSISDBHSA-N 1 3 347.503 2.031 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+]C[C@H]1CC(C)(C)CO1)C1CC1 ZINC001495303954 1101005204 /nfs/dbraw/zinc/00/52/04/1101005204.db2.gz SCLXUKQHHXRSQK-VQIMIIECSA-N 1 3 339.524 2.016 10 0 EEAEHO Cc1ncccc1C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001496465074 1101056670 /nfs/dbraw/zinc/05/66/70/1101056670.db2.gz WWMXOSPFPBDZIZ-PKOBYXMFSA-N 1 3 346.519 2.447 10 0 EEAEHO C[C@@H](F)CC[NH2+]CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001495430025 1101148116 /nfs/dbraw/zinc/14/81/16/1101148116.db2.gz DHSMTSCXBYEZTR-HZPDHXFCSA-N 1 3 327.488 2.295 10 0 EEAEHO Cc1ncccc1CNCc1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001495496030 1101205813 /nfs/dbraw/zinc/20/58/13/1101205813.db2.gz WIEXBTWPRPIOFE-UHFFFAOYSA-N 1 3 340.471 2.248 10 0 EEAEHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(Cl)nc1)C(C)C)N(C)C ZINC001496627281 1101230760 /nfs/dbraw/zinc/23/07/60/1101230760.db2.gz KRRZRWCLWZUOCW-HUUCEWRRSA-N 1 3 340.899 2.306 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2cccc(F)c2)C1 ZINC001446942455 1101631323 /nfs/dbraw/zinc/63/13/23/1101631323.db2.gz LIJIYASPJGYYLR-WBVHZDCISA-N 1 3 335.467 2.493 10 0 EEAEHO O=C(CCC[NH+]1CCCC1)NCC1(NCc2cncc(F)c2)CCC1 ZINC001447249314 1102293574 /nfs/dbraw/zinc/29/35/74/1102293574.db2.gz DZJAHUHEDRAVPI-UHFFFAOYSA-N 1 3 348.466 2.225 10 0 EEAEHO COC[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001447352875 1102507662 /nfs/dbraw/zinc/50/76/62/1102507662.db2.gz BQAHAZCJXVSEDA-YJBOKZPZSA-N 1 3 345.503 2.014 10 0 EEAEHO COC[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001447352875 1102507664 /nfs/dbraw/zinc/50/76/64/1102507664.db2.gz BQAHAZCJXVSEDA-YJBOKZPZSA-N 1 3 345.503 2.014 10 0 EEAEHO CCN(CC[NH2+]Cc1ccc(F)cc1C)C(=O)CN1CC[C@H](C)C1 ZINC001497453454 1102511620 /nfs/dbraw/zinc/51/16/20/1102511620.db2.gz CYRGTPQQQMQGNP-HNNXBMFYSA-N 1 3 335.467 2.414 10 0 EEAEHO CCCN1Cc2ccccc2C[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001447429786 1102637800 /nfs/dbraw/zinc/63/78/00/1102637800.db2.gz KGBVYYAHJWKUEZ-VQIMIIECSA-N 1 3 329.488 2.281 10 0 EEAEHO CCCN1Cc2ccccc2C[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001447429786 1102637802 /nfs/dbraw/zinc/63/78/02/1102637802.db2.gz KGBVYYAHJWKUEZ-VQIMIIECSA-N 1 3 329.488 2.281 10 0 EEAEHO COCCN[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001493898886 1103075346 /nfs/dbraw/zinc/07/53/46/1103075346.db2.gz MEQQCNYRUHYFDD-HKUYNNGSSA-N 1 3 347.503 2.344 10 0 EEAEHO Cc1ccccc1CCCN1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001494615123 1104198680 /nfs/dbraw/zinc/19/86/80/1104198680.db2.gz NHUBYBQUGMNNBQ-GOSISDBHSA-N 1 3 343.515 2.317 10 0 EEAEHO Cc1ccccc1CCCN1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001494615123 1104198685 /nfs/dbraw/zinc/19/86/85/1104198685.db2.gz NHUBYBQUGMNNBQ-GOSISDBHSA-N 1 3 343.515 2.317 10 0 EEAEHO CC(C)N(C)CC(=O)NC1(C[NH2+]C[C@@H]2CCCOC2)CCCCC1 ZINC001448237427 1104228474 /nfs/dbraw/zinc/22/84/74/1104228474.db2.gz RZLHIHJTDSDZJZ-KRWDZBQOSA-N 1 3 339.524 2.162 10 0 EEAEHO CC(C)OCCN1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001494876907 1104487306 /nfs/dbraw/zinc/48/73/06/1104487306.db2.gz SCJWGANZHUGYSP-ZWKOTPCHSA-N 1 3 339.524 2.065 10 0 EEAEHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cn(C(C)C)nc1C ZINC001495058310 1104695655 /nfs/dbraw/zinc/69/56/55/1104695655.db2.gz NSRNLXTUACHTFB-QAPCUYQASA-N 1 3 349.523 2.099 10 0 EEAEHO Cc1cccc(OCC[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001480615852 1106774154 /nfs/dbraw/zinc/77/41/54/1106774154.db2.gz HYJUBGUHXWSNRM-KRWDZBQOSA-N 1 3 345.487 2.049 10 0 EEAEHO Cc1nc(CNCCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sc1C ZINC001498549035 1107701575 /nfs/dbraw/zinc/70/15/75/1107701575.db2.gz BLKYGYKEWWPYPN-UKRRQHHQSA-N 1 3 338.521 2.038 10 0 EEAEHO Cc1nc(CNCCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)sc1C ZINC001498549035 1107701589 /nfs/dbraw/zinc/70/15/89/1107701589.db2.gz BLKYGYKEWWPYPN-UKRRQHHQSA-N 1 3 338.521 2.038 10 0 EEAEHO Cc1nn(C(C)C)cc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001498567491 1107734640 /nfs/dbraw/zinc/73/46/40/1107734640.db2.gz GAZUDCFYCBWBAI-SFHVURJKSA-N 1 3 349.523 2.195 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]C/C=C\c2ccccc2)C1 ZINC001498611853 1107808014 /nfs/dbraw/zinc/80/80/14/1107808014.db2.gz CFIXXACGJJWAKG-TWVNLXSWSA-N 1 3 329.488 2.480 10 0 EEAEHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCCNCc2ccncc2Cl)C1 ZINC001498613497 1107809582 /nfs/dbraw/zinc/80/95/82/1107809582.db2.gz SAWNSSANGKTNDA-CQSZACIVSA-N 1 3 338.883 2.015 10 0 EEAEHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCNCc2ccncc2Cl)C1 ZINC001498613497 1107809595 /nfs/dbraw/zinc/80/95/95/1107809595.db2.gz SAWNSSANGKTNDA-CQSZACIVSA-N 1 3 338.883 2.015 10 0 EEAEHO CN(CCCNCc1ccc(F)cc1Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498655327 1107904130 /nfs/dbraw/zinc/90/41/30/1107904130.db2.gz QBTJEUMYXRQKDO-CQSZACIVSA-N 1 3 341.858 2.369 10 0 EEAEHO CN(CCCNCc1ccc(F)cc1Cl)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001498655327 1107904133 /nfs/dbraw/zinc/90/41/33/1107904133.db2.gz QBTJEUMYXRQKDO-CQSZACIVSA-N 1 3 341.858 2.369 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)N[C@H](CNCc2sccc2Cl)C2CC2)C1 ZINC001498864929 1108242883 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EEAEHO CC(C)[N@H+](C)C[C@H](O)CN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC001460846388 1110326450 /nfs/dbraw/zinc/32/64/50/1110326450.db2.gz DUMNDTHSTAKQKK-ZDUSSCGKSA-N 1 3 348.413 2.309 10 0 EEAEHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC001460846388 1110326452 /nfs/dbraw/zinc/32/64/52/1110326452.db2.gz DUMNDTHSTAKQKK-ZDUSSCGKSA-N 1 3 348.413 2.309 10 0 EEAEHO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC001473380377 1110574707 /nfs/dbraw/zinc/57/47/07/1110574707.db2.gz QQFREVNQIFRRJG-YQVWRLOYSA-N 1 3 340.508 2.277 10 0 EEAEHO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC001473380377 1110574709 /nfs/dbraw/zinc/57/47/09/1110574709.db2.gz QQFREVNQIFRRJG-YQVWRLOYSA-N 1 3 340.508 2.277 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CCNCc2cc(C)no2)C1 ZINC001501574576 1113388024 /nfs/dbraw/zinc/38/80/24/1113388024.db2.gz PJDKYUPHNPGGFK-SJLPKXTDSA-N 1 3 348.491 2.186 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CCNCc2cc(C)no2)C1 ZINC001501574576 1113388028 /nfs/dbraw/zinc/38/80/28/1113388028.db2.gz PJDKYUPHNPGGFK-SJLPKXTDSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncccc1CN1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001501741750 1113458163 /nfs/dbraw/zinc/45/81/63/1113458163.db2.gz CCWDMSFJRISPCT-UHFFFAOYSA-N 1 3 344.503 2.156 10 0 EEAEHO COCCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001505411641 1113945449 /nfs/dbraw/zinc/94/54/49/1113945449.db2.gz XJMAPNCPRIWHFW-IBGZPJMESA-N 1 3 347.503 2.369 10 0 EEAEHO CCCN(C)CC(=O)NC1(C[NH2+]Cc2ccns2)CCCCC1 ZINC001506521277 1114670359 /nfs/dbraw/zinc/67/03/59/1114670359.db2.gz DFUPUTDKQLMZBT-UHFFFAOYSA-N 1 3 338.521 2.394 10 0 EEAEHO C[C@H]1[C@H](NCc2cncc(F)c2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001507299717 1115181112 /nfs/dbraw/zinc/18/11/12/1115181112.db2.gz WWISCTDFJRBYMO-MAUKXSAKSA-N 1 3 348.466 2.176 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CCC(F)(F)F)CC1)N(C)C ZINC001508080349 1115413895 /nfs/dbraw/zinc/41/38/95/1115413895.db2.gz BTDHNGISXZEPAP-JSGCOSHPSA-N 1 3 337.430 2.496 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CC2CCC2)C1 ZINC001508087619 1115416453 /nfs/dbraw/zinc/41/64/53/1115416453.db2.gz QKZZVPJEXKNZMF-CABCVRRESA-N 1 3 349.441 2.496 10 0 EEAEHO CCCCOCCN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001567912493 1124174109 /nfs/dbraw/zinc/17/41/09/1124174109.db2.gz XOMAPMXHQBJLAX-FGTMMUONSA-N 1 3 339.524 2.066 10 0 EEAEHO CCCCOCCN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001567912493 1124174113 /nfs/dbraw/zinc/17/41/13/1124174113.db2.gz XOMAPMXHQBJLAX-FGTMMUONSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1oncc1C[NH2+]CC[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001568058323 1124264276 /nfs/dbraw/zinc/26/42/76/1124264276.db2.gz QMDBSNNIMJWWLM-MRXNPFEDSA-N 1 3 348.491 2.186 10 0 EEAEHO CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2conc2C)CC1)N(C)C ZINC001568094235 1124298118 /nfs/dbraw/zinc/29/81/18/1124298118.db2.gz VQHSYGKQJAJRMA-KRWDZBQOSA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1ncoc1CN1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001568515447 1124577787 /nfs/dbraw/zinc/57/77/87/1124577787.db2.gz LEWOUZHRWQPVCN-IRXDYDNUSA-N 1 3 348.491 2.138 10 0 EEAEHO Cc1cnc(CNCCCN(C)C(=O)C[N@H+](C)CC(C)(C)C)s1 ZINC001569239860 1125186802 /nfs/dbraw/zinc/18/68/02/1125186802.db2.gz LLXLJJQRPAPJOS-UHFFFAOYSA-N 1 3 340.537 2.368 10 0 EEAEHO Cc1cnc(CNCCCN(C)C(=O)C[N@@H+](C)CC(C)(C)C)s1 ZINC001569239860 1125186806 /nfs/dbraw/zinc/18/68/06/1125186806.db2.gz LLXLJJQRPAPJOS-UHFFFAOYSA-N 1 3 340.537 2.368 10 0 EEAEHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCN2CCc3ccccc3C2)C1 ZINC000416169812 239097198 /nfs/dbraw/zinc/09/71/98/239097198.db2.gz HFSVTKIBCBZIDS-RTBURBONSA-N 1 3 329.488 2.424 10 0 EEAEHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCN2CCc3ccccc3C2)C1 ZINC000416169809 239097453 /nfs/dbraw/zinc/09/74/53/239097453.db2.gz HFSVTKIBCBZIDS-MOPGFXCFSA-N 1 3 329.488 2.424 10 0 EEAEHO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)C[C@H](C)N)CC2)cc1 ZINC000422710268 240189722 /nfs/dbraw/zinc/18/97/22/240189722.db2.gz FNZOUKYLDNNWGS-GJZGRUSLSA-N 1 3 333.476 2.405 10 0 EEAEHO Fc1cc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc(F)c1F ZINC000423051085 240343031 /nfs/dbraw/zinc/34/30/31/240343031.db2.gz ZVDJPTCWAZYWNR-DAXOMENPSA-N 1 3 328.378 2.393 10 0 EEAEHO C[C@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCCN(C)CC1 ZINC000043020191 204198738 /nfs/dbraw/zinc/19/87/38/204198738.db2.gz HIUILIZQNJLJAY-SWLSCSKDSA-N 1 3 326.282 2.475 10 0 EEAEHO COCCN(C)CCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268829467 252278120 /nfs/dbraw/zinc/27/81/20/252278120.db2.gz QIXOVZWRJSQUHU-QUCCMNQESA-N 1 3 333.520 2.455 10 0 EEAEHO C[C@@H]1CCC[C@@](CNC(=O)N2CC[C@@H](N3CC=CC3)C2)([NH+](C)C)C1 ZINC000245662460 296454354 /nfs/dbraw/zinc/45/43/54/296454354.db2.gz DJFBTMCMQZCFQN-ZHALLVOQSA-N 1 3 334.508 2.153 10 0 EEAEHO CCN1CCC[C@@H](NC(=O)NCc2cccc(C[N@H+](C)CC)c2)C1 ZINC000064226437 292153665 /nfs/dbraw/zinc/15/36/65/292153665.db2.gz BRKNCCLZPMLHSI-GOSISDBHSA-N 1 3 332.492 2.422 10 0 EEAEHO CCN1CCC[C@@H](NC(=O)NCc2cccc(C[N@@H+](C)CC)c2)C1 ZINC000064226437 292153667 /nfs/dbraw/zinc/15/36/67/292153667.db2.gz BRKNCCLZPMLHSI-GOSISDBHSA-N 1 3 332.492 2.422 10 0 EEAEHO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000170829731 289312600 /nfs/dbraw/zinc/31/26/00/289312600.db2.gz SUSWMPCOESCJHC-MSOLQXFVSA-N 1 3 330.476 2.169 10 0 EEAEHO C[C@H](CN1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245706479 160249891 /nfs/dbraw/zinc/24/98/91/160249891.db2.gz MPAWOJQYDKOIMT-WLRLJWMZSA-N 1 3 343.515 2.492 10 0 EEAEHO C[C@H](CN1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245706479 160249892 /nfs/dbraw/zinc/24/98/92/160249892.db2.gz MPAWOJQYDKOIMT-WLRLJWMZSA-N 1 3 343.515 2.492 10 0 EEAEHO OCCOCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248402871 160343856 /nfs/dbraw/zinc/34/38/56/160343856.db2.gz NYDZOUASVQWPJK-XUVXKRRUSA-N 1 3 332.488 2.276 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccnc1 ZINC000345196983 161280923 /nfs/dbraw/zinc/28/09/23/161280923.db2.gz AZISDTDHFLVYPO-AEFFLSMTSA-N 1 3 332.492 2.060 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccnc1 ZINC000345196983 161280924 /nfs/dbraw/zinc/28/09/24/161280924.db2.gz AZISDTDHFLVYPO-AEFFLSMTSA-N 1 3 332.492 2.060 10 0 EEAEHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000354952094 163030527 /nfs/dbraw/zinc/03/05/27/163030527.db2.gz PTNPFSKURLVWFC-ROUUACIJSA-N 1 3 347.478 2.448 10 0 EEAEHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000354952094 163030530 /nfs/dbraw/zinc/03/05/30/163030530.db2.gz PTNPFSKURLVWFC-ROUUACIJSA-N 1 3 347.478 2.448 10 0 EEAEHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCC[N@H+](C)C1CC1 ZINC000369991438 166371117 /nfs/dbraw/zinc/37/11/17/166371117.db2.gz QURKOZXBIFLGAA-QGZVFWFLSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCC[N@@H+](C)C1CC1 ZINC000369991438 166371119 /nfs/dbraw/zinc/37/11/19/166371119.db2.gz QURKOZXBIFLGAA-QGZVFWFLSA-N 1 3 344.503 2.387 10 0 EEAEHO Cc1ccccc1CN1CCCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000376629484 167363905 /nfs/dbraw/zinc/36/39/05/167363905.db2.gz XCPJJPPNRABDJF-ROUUACIJSA-N 1 3 329.488 2.417 10 0 EEAEHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1OCCN(C)C ZINC000288275892 275041734 /nfs/dbraw/zinc/04/17/34/275041734.db2.gz HCHJCQLFYXMMHI-DLBZAZTESA-N 1 3 345.487 2.326 10 0 EEAEHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414938366 313112343 /nfs/dbraw/zinc/11/23/43/313112343.db2.gz IMDLYDNNPMWHKG-HDMKZQKVSA-N 1 3 343.471 2.429 10 0 EEAEHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000418586113 313853567 /nfs/dbraw/zinc/85/35/67/313853567.db2.gz ZJMRCENHAVONGR-PKOBYXMFSA-N 1 3 346.519 2.190 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000541880584 318115336 /nfs/dbraw/zinc/11/53/36/318115336.db2.gz JCHUZLCHKWQLDZ-IBGZPJMESA-N 1 3 347.503 2.146 10 0 EEAEHO CN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000563727632 319040343 /nfs/dbraw/zinc/04/03/43/319040343.db2.gz WAFFXRWGAXNCHS-IEBWSBKVSA-N 1 3 327.472 2.204 10 0 EEAEHO CN(C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000563727632 319040345 /nfs/dbraw/zinc/04/03/45/319040345.db2.gz WAFFXRWGAXNCHS-IEBWSBKVSA-N 1 3 327.472 2.204 10 0 EEAEHO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(CN)nc3C)C2)n(C)n1 ZINC000565475085 319185708 /nfs/dbraw/zinc/18/57/08/319185708.db2.gz OHSMZRFGKDMSAP-WBVHZDCISA-N 1 3 342.491 2.210 10 0 EEAEHO O=C(N[C@@H]1CNCCC1(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000565950492 319229878 /nfs/dbraw/zinc/22/98/78/319229878.db2.gz GJTBZWDVGQDYNJ-MRXNPFEDSA-N 1 3 337.414 2.012 10 0 EEAEHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CNCc2ccccc21 ZINC000580831262 324137092 /nfs/dbraw/zinc/13/70/92/324137092.db2.gz LGSKGCWBSDODHR-AZUAARDMSA-N 1 3 337.467 2.163 10 0 EEAEHO C[C@]1(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCCN1Cc1ccccc1 ZINC000581933275 324344068 /nfs/dbraw/zinc/34/40/68/324344068.db2.gz GEWHVMGSWXXOON-WSTZPKSXSA-N 1 3 344.503 2.468 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)NC3(C[NH+](C)C)CCC3)cc2)CC1 ZINC000351622777 465257045 /nfs/dbraw/zinc/25/70/45/465257045.db2.gz FESURNSXUNBUPP-UHFFFAOYSA-N 1 3 344.503 2.043 10 0 EEAEHO CC1=CCN(CCNC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000358675045 465257340 /nfs/dbraw/zinc/25/73/40/465257340.db2.gz KBCIQZFUWHUKOU-LJQANCHMSA-N 1 3 344.503 2.111 10 0 EEAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000337312603 465299856 /nfs/dbraw/zinc/29/98/56/465299856.db2.gz FMJPMIJOSLNYLU-QZTJIDSGSA-N 1 3 325.541 2.131 10 0 EEAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000337312603 465299862 /nfs/dbraw/zinc/29/98/62/465299862.db2.gz FMJPMIJOSLNYLU-QZTJIDSGSA-N 1 3 325.541 2.131 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000339484895 465301214 /nfs/dbraw/zinc/30/12/14/465301214.db2.gz QYUWJILGBHYUHU-GOSISDBHSA-N 1 3 346.519 2.333 10 0 EEAEHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000066187215 462860351 /nfs/dbraw/zinc/86/03/51/462860351.db2.gz VMCZCWPPLTVSLI-AEFFLSMTSA-N 1 3 334.508 2.189 10 0 EEAEHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000066187215 462860352 /nfs/dbraw/zinc/86/03/52/462860352.db2.gz VMCZCWPPLTVSLI-AEFFLSMTSA-N 1 3 334.508 2.189 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CNCc1cn(CCC(N)=O)c2ccccc12 ZINC000055569092 463333063 /nfs/dbraw/zinc/33/30/63/463333063.db2.gz PHERHRYNCCPLHH-MRXNPFEDSA-N 1 3 328.460 2.091 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CNCc1cn(CCC(N)=O)c2ccccc12 ZINC000055569092 463333068 /nfs/dbraw/zinc/33/30/68/463333068.db2.gz PHERHRYNCCPLHH-MRXNPFEDSA-N 1 3 328.460 2.091 10 0 EEAEHO CN(C)Cc1ccc(S(=O)(=O)NCC2([NH3+])CCCCCC2)cc1 ZINC000261706920 463834116 /nfs/dbraw/zinc/83/41/16/463834116.db2.gz PFUYSFIOYNAUMT-UHFFFAOYSA-N 1 3 339.505 2.078 10 0 EEAEHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCN2CCC[C@@H]2C1 ZINC000171899166 463945360 /nfs/dbraw/zinc/94/53/60/463945360.db2.gz UYTQNIVYUZHVPB-LJQANCHMSA-N 1 3 342.487 2.272 10 0 EEAEHO C[N@@H+]1CC[C@]2(CCN(C[C@@H]3CN(Cc4ccccc4)CCCO3)C2)C1 ZINC000292262731 464178713 /nfs/dbraw/zinc/17/87/13/464178713.db2.gz YSNXJHVPFITQJR-SFTDATJTSA-N 1 3 343.515 2.305 10 0 EEAEHO C[N@H+]1CC[C@]2(CCN(C[C@@H]3CN(Cc4ccccc4)CCCO3)C2)C1 ZINC000292262731 464178719 /nfs/dbraw/zinc/17/87/19/464178719.db2.gz YSNXJHVPFITQJR-SFTDATJTSA-N 1 3 343.515 2.305 10 0 EEAEHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000175772277 464622006 /nfs/dbraw/zinc/62/20/06/464622006.db2.gz CBYDPVWRHGLJGP-GOSISDBHSA-N 1 3 336.524 2.234 10 0 EEAEHO C[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cccc(OCCN(C)C)c1 ZINC000348207612 465490025 /nfs/dbraw/zinc/49/00/25/465490025.db2.gz PVDROVRYODYCGU-APWZRJJASA-N 1 3 343.471 2.449 10 0 EEAEHO CN(C)CCNC(=O)C1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000569150108 468448244 /nfs/dbraw/zinc/44/82/44/468448244.db2.gz DPEHAKVJFXPPHD-UHFFFAOYSA-N 1 3 340.471 2.125 10 0 EEAEHO CC[C@@H](C)N[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)c1ccco1 ZINC000357549257 466124726 /nfs/dbraw/zinc/12/47/26/466124726.db2.gz UNGWIMWVJAPISL-ZBFHGGJFSA-N 1 3 334.464 2.198 10 0 EEAEHO C[C@@H](Cc1ccc(Br)cc1F)NC[C@@H](O)C[NH+](C)C ZINC000305163455 466364942 /nfs/dbraw/zinc/36/49/42/466364942.db2.gz XRPKVOJKSBHWRI-GXFFZTMASA-N 1 3 333.245 2.031 10 0 EEAEHO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)c1 ZINC000367613958 466449170 /nfs/dbraw/zinc/44/91/70/466449170.db2.gz GOBUVJUDIBWGJT-NRSFXHEJSA-N 1 3 334.460 2.200 10 0 EEAEHO COc1ccc(OC)c([C@H](O)CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367613958 466449179 /nfs/dbraw/zinc/44/91/79/466449179.db2.gz GOBUVJUDIBWGJT-NRSFXHEJSA-N 1 3 334.460 2.200 10 0 EEAEHO COc1ccc(OC)c([C@H](O)CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367613958 466449186 /nfs/dbraw/zinc/44/91/86/466449186.db2.gz GOBUVJUDIBWGJT-NRSFXHEJSA-N 1 3 334.460 2.200 10 0 EEAEHO CN(C)Cc1cc(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)ccc1F ZINC000422742651 466681348 /nfs/dbraw/zinc/68/13/48/466681348.db2.gz GSBOYGNENDGQHB-YTQUADARSA-N 1 3 335.467 2.134 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)COC1CCC([NH3+])CC1)c1ccccc1 ZINC000645183633 471167896 /nfs/dbraw/zinc/16/78/96/471167896.db2.gz KQVCONAVRVKWBI-CTWPCTMYSA-N 1 3 347.503 2.472 10 0 EEAEHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417109610 466782289 /nfs/dbraw/zinc/78/22/89/466782289.db2.gz KRIZFEGEFMBWIR-HKUYNNGSSA-N 1 3 342.487 2.187 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417974472 467006611 /nfs/dbraw/zinc/00/66/11/467006611.db2.gz DLROZCOBLHECRW-XLIONFOSSA-N 1 3 344.503 2.292 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000418140054 467057794 /nfs/dbraw/zinc/05/77/94/467057794.db2.gz KOFHYSXQTWYPJI-MNEFBYGVSA-N 1 3 344.503 2.194 10 0 EEAEHO C[C@H](NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[C@H](c1ccccc1)N(C)C ZINC000418176417 467066496 /nfs/dbraw/zinc/06/64/96/467066496.db2.gz GXMKYAGIYARMFZ-ILZDJORESA-N 1 3 344.503 2.463 10 0 EEAEHO C[C@H]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382760523 467379758 /nfs/dbraw/zinc/37/97/58/467379758.db2.gz JESPXNXLDSDLJU-PKOBYXMFSA-N 1 3 329.488 2.499 10 0 EEAEHO C[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CN1C1CC1 ZINC000397585588 467443915 /nfs/dbraw/zinc/44/39/15/467443915.db2.gz IWXALPVRJMBHFF-IEBWSBKVSA-N 1 3 343.515 2.228 10 0 EEAEHO [NH3+]CCC[C@H](NCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000415059953 467478508 /nfs/dbraw/zinc/47/85/08/467478508.db2.gz VOZOCUSCVYWLFT-SFHVURJKSA-N 1 3 337.423 2.352 10 0 EEAEHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CCCCNC2)c1 ZINC000415065524 467479215 /nfs/dbraw/zinc/47/92/15/467479215.db2.gz GLKDQANTBLZRRE-KBPBESRZSA-N 1 3 335.448 2.153 10 0 EEAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@]2(C)CCC(=O)N2)CC1 ZINC000453424197 467487964 /nfs/dbraw/zinc/48/79/64/467487964.db2.gz NMIRGBDGVMPWEI-OXQOHEQNSA-N 1 3 329.488 2.340 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@](C)(F)C3)CC2)CC1 ZINC000454447362 467593550 /nfs/dbraw/zinc/59/35/50/467593550.db2.gz FSEMHNDCMZEHOQ-SFHVURJKSA-N 1 3 340.487 2.079 10 0 EEAEHO CO[C@]1(CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CCOC1 ZINC000449251279 467625958 /nfs/dbraw/zinc/62/59/58/467625958.db2.gz PPNCLEDEGQXXSZ-XLIONFOSSA-N 1 3 332.488 2.477 10 0 EEAEHO CCc1cc(CCC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)on1 ZINC000450640946 467885028 /nfs/dbraw/zinc/88/50/28/467885028.db2.gz HKJKHXPKPZYUQD-APWZRJJASA-N 1 3 334.508 2.127 10 0 EEAEHO CCc1cc(CCC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)on1 ZINC000450640946 467885030 /nfs/dbraw/zinc/88/50/30/467885030.db2.gz HKJKHXPKPZYUQD-APWZRJJASA-N 1 3 334.508 2.127 10 0 EEAEHO CCc1cc(CCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)on1 ZINC000450640946 467885034 /nfs/dbraw/zinc/88/50/34/467885034.db2.gz HKJKHXPKPZYUQD-APWZRJJASA-N 1 3 334.508 2.127 10 0 EEAEHO CN1CCCN(CCC[NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000493978902 468012758 /nfs/dbraw/zinc/01/27/58/468012758.db2.gz VJDCZBRVQNVFEF-UHFFFAOYSA-N 1 3 331.504 2.351 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H](C[NH3+])C2CCCC2)[C@@H]1c1ccccc1 ZINC000516857039 468050128 /nfs/dbraw/zinc/05/01/28/468050128.db2.gz LYCOMJBOSJHTOY-BZSNNMDCSA-N 1 3 330.476 2.249 10 0 EEAEHO C[C@]1(CNC(=O)N2CCC(C[NH3+])CC2)CCCN1Cc1ccccc1 ZINC000578489671 468205519 /nfs/dbraw/zinc/20/55/19/468205519.db2.gz LQKZFKBZWGSLBY-HXUWFJFHSA-N 1 3 344.503 2.421 10 0 EEAEHO CN(CCC[NH+](C)C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000561310848 468886246 /nfs/dbraw/zinc/88/62/46/468886246.db2.gz SRWUAFOEZXLNFA-KRWDZBQOSA-N 1 3 335.467 2.448 10 0 EEAEHO C[C@H](C(=O)Nc1cccc2ncccc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000573005064 469041019 /nfs/dbraw/zinc/04/10/19/469041019.db2.gz AWKJOKQRTNQHKB-OAGGEKHMSA-N 1 3 338.455 2.493 10 0 EEAEHO CCN1CCN(Cc2ccc(NC(=O)CN3CC[C@@H](C)C3)cc2)CC1 ZINC000573230753 469088493 /nfs/dbraw/zinc/08/84/93/469088493.db2.gz ASLKUDOYTSMXQM-QGZVFWFLSA-N 1 3 344.503 2.104 10 0 EEAEHO CC[NH+]1CCN(Cc2ccc(NC(=O)CN3CC[C@@H](C)C3)cc2)CC1 ZINC000573230753 469088497 /nfs/dbraw/zinc/08/84/97/469088497.db2.gz ASLKUDOYTSMXQM-QGZVFWFLSA-N 1 3 344.503 2.104 10 0 EEAEHO C[C@]1(NC(=O)NCc2ccccc2CN2CCCCC2)CC[NH2+]C1 ZINC000612863804 469567125 /nfs/dbraw/zinc/56/71/25/469567125.db2.gz YUWZTZUYNODZMA-IBGZPJMESA-N 1 3 330.476 2.224 10 0 EEAEHO CCNC(=O)COc1cccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)c1 ZINC000623363247 469634732 /nfs/dbraw/zinc/63/47/32/469634732.db2.gz IZVLBOWZRFCXIW-MRXNPFEDSA-N 1 3 333.476 2.164 10 0 EEAEHO CN1CC[C@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)CC1(C)C ZINC000623359864 469635412 /nfs/dbraw/zinc/63/54/12/469635412.db2.gz GFZCBIUUMBYJRN-HNNXBMFYSA-N 1 3 325.478 2.021 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000617504280 469701519 /nfs/dbraw/zinc/70/15/19/469701519.db2.gz NUNKLWXYFNNIOK-LBPRGKRZSA-N 1 3 346.397 2.102 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000617504280 469701524 /nfs/dbraw/zinc/70/15/24/469701524.db2.gz NUNKLWXYFNNIOK-LBPRGKRZSA-N 1 3 346.397 2.102 10 0 EEAEHO Cc1cccc(C)c1OCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503804 469701749 /nfs/dbraw/zinc/70/17/49/469701749.db2.gz ZZKBZYKFEHQEML-KRWDZBQOSA-N 1 3 335.492 2.070 10 0 EEAEHO Cc1cccc(C)c1OCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503804 469701756 /nfs/dbraw/zinc/70/17/56/469701756.db2.gz ZZKBZYKFEHQEML-KRWDZBQOSA-N 1 3 335.492 2.070 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cn1ccc2ccccc21 ZINC000617505056 469703136 /nfs/dbraw/zinc/70/31/36/469703136.db2.gz VPBMYGTXBYFKEO-INIZCTEOSA-N 1 3 330.476 2.030 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cn1ccc2ccccc21 ZINC000617505056 469703141 /nfs/dbraw/zinc/70/31/41/469703141.db2.gz VPBMYGTXBYFKEO-INIZCTEOSA-N 1 3 330.476 2.030 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC000617506315 469706281 /nfs/dbraw/zinc/70/62/81/469706281.db2.gz KETZFAMJOVAYHL-KBPBESRZSA-N 1 3 341.446 2.457 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC000617506315 469706283 /nfs/dbraw/zinc/70/62/83/469706283.db2.gz KETZFAMJOVAYHL-KBPBESRZSA-N 1 3 341.446 2.457 10 0 EEAEHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000623717519 469743900 /nfs/dbraw/zinc/74/39/00/469743900.db2.gz DPWSMCVABIXGHQ-RYRKJORJSA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000623717519 469743902 /nfs/dbraw/zinc/74/39/02/469743902.db2.gz DPWSMCVABIXGHQ-RYRKJORJSA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@H]1CC[C@H](NC(=O)NC2CCN(CCc3ccccc3)CC2)C[NH2+]1 ZINC000626930924 469759235 /nfs/dbraw/zinc/75/92/35/469759235.db2.gz LNWMLDQJQALZTI-LPHOPBHVSA-N 1 3 344.503 2.133 10 0 EEAEHO C[C@H]1CC[C@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C[NH2+]1 ZINC000626938705 469762607 /nfs/dbraw/zinc/76/26/07/469762607.db2.gz JFKDIVVXLPINEL-YJBOKZPZSA-N 1 3 344.503 2.263 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C[NH2+]1 ZINC000627016877 469791496 /nfs/dbraw/zinc/79/14/96/469791496.db2.gz RAFUUNGUCPEYRW-LZQZEXGQSA-N 1 3 344.503 2.337 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000627240567 469854294 /nfs/dbraw/zinc/85/42/94/469854294.db2.gz RRWUBBLAGAJNSM-MAUKXSAKSA-N 1 3 330.476 2.043 10 0 EEAEHO [NH3+]C1(Cc2nc([C@@H]3CCCN3)no2)CCN(Cc2ccccc2)CC1 ZINC000634557551 470266299 /nfs/dbraw/zinc/26/62/99/470266299.db2.gz ZUARWKCQHPTSRA-INIZCTEOSA-N 1 3 341.459 2.030 10 0 EEAEHO C[C@@](O)(C[C@@H](O)CNC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000634642398 470273644 /nfs/dbraw/zinc/27/36/44/470273644.db2.gz JSTMNQCQQFRBCE-NHCUHLMSSA-N 1 3 346.515 2.195 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770652 470304391 /nfs/dbraw/zinc/30/43/91/470304391.db2.gz SQSHAERMAUUQAG-QEEHTWDDSA-N 1 3 327.472 2.013 10 0 EEAEHO O=C(NC1CC([NH+]2CCCCC2)C1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654551653 471067927 /nfs/dbraw/zinc/06/79/27/471067927.db2.gz UWVIZSKDQAHHOY-HIEASXQVSA-N 1 3 334.508 2.319 10 0 EEAEHO Cn1cc(CNCC2CC[NH+](C3CCOCC3)CC2)c(C(F)F)n1 ZINC000657537438 471163921 /nfs/dbraw/zinc/16/39/21/471163921.db2.gz LFXHJXKATSAXFU-UHFFFAOYSA-N 1 3 342.434 2.338 10 0 EEAEHO c1c(CNCC2CC[NH+](C3CCOCC3)CC2)nn2c1CCCC2 ZINC000657537551 471164159 /nfs/dbraw/zinc/16/41/59/471164159.db2.gz OROTYRNQOMLKFF-UHFFFAOYSA-N 1 3 332.492 2.200 10 0 EEAEHO O[C@]1(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOC1 ZINC000651944421 471179659 /nfs/dbraw/zinc/17/96/59/471179659.db2.gz VIBWGRJWXLVSHJ-DOIPELPJSA-N 1 3 344.499 2.418 10 0 EEAEHO c1nn2c(c1C[NH2+]CC1CCN(Cc3ccncc3)CC1)CCC2 ZINC000657613822 471187520 /nfs/dbraw/zinc/18/75/20/471187520.db2.gz RNZLJAWTLHFPDU-UHFFFAOYSA-N 1 3 325.460 2.226 10 0 EEAEHO [NH3+]CC1(CCNC(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000652152967 471245965 /nfs/dbraw/zinc/24/59/65/471245965.db2.gz ZIJOIYUNRAEQTJ-QGZVFWFLSA-N 1 3 330.476 2.079 10 0 EEAEHO CN(C)Cc1cc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)ccc1F ZINC000655714801 471452490 /nfs/dbraw/zinc/45/24/90/471452490.db2.gz DAEPSFRZIFERAS-SFHVURJKSA-N 1 3 335.467 2.230 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCc2occc21 ZINC000663679724 471470842 /nfs/dbraw/zinc/47/08/42/471470842.db2.gz JTCFUTHHBQFRJJ-GOEBONIOSA-N 1 3 336.480 2.228 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCc2occc21 ZINC000663679724 471470844 /nfs/dbraw/zinc/47/08/44/471470844.db2.gz JTCFUTHHBQFRJJ-GOEBONIOSA-N 1 3 336.480 2.228 10 0 EEAEHO C[C@H](CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C[NH+]1CCCC1 ZINC000659033744 471476323 /nfs/dbraw/zinc/47/63/23/471476323.db2.gz XYFBMHLQLMBVJZ-QAPCUYQASA-N 1 3 346.475 2.201 10 0 EEAEHO O=C(NCCCN1CCc2ccccc2C1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653109453 471492329 /nfs/dbraw/zinc/49/23/29/471492329.db2.gz BTDYZYCKEZKAPM-OALUTQOASA-N 1 3 327.472 2.082 10 0 EEAEHO CCN(C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000663784847 471517776 /nfs/dbraw/zinc/51/77/76/471517776.db2.gz XGLNZGYELAKEST-BBWFWOEESA-N 1 3 338.540 2.479 10 0 EEAEHO CCN(C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000663784847 471517780 /nfs/dbraw/zinc/51/77/80/471517780.db2.gz XGLNZGYELAKEST-BBWFWOEESA-N 1 3 338.540 2.479 10 0 EEAEHO C[C@@]1(CNC(=O)N[C@H]2CCC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000669565860 471560028 /nfs/dbraw/zinc/56/00/28/471560028.db2.gz NRLACICLDCIETI-ICSRJNTNSA-N 1 3 344.503 2.482 10 0 EEAEHO [NH3+][C@@H](CC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)c1ccccc1 ZINC000659371076 471596090 /nfs/dbraw/zinc/59/60/90/471596090.db2.gz YNQDXFUVIXIFAR-ROUUACIJSA-N 1 3 325.412 2.376 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000659423099 471619612 /nfs/dbraw/zinc/61/96/12/471619612.db2.gz IYFSFMXJWJAZRD-MSOLQXFVSA-N 1 3 332.492 2.496 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000659427030 471620437 /nfs/dbraw/zinc/62/04/37/471620437.db2.gz JFOCBDNEBOAYNH-URSIVYNOSA-N 1 3 330.476 2.121 10 0 EEAEHO Cn1c2ccccc2cc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1=O ZINC000653570496 471669928 /nfs/dbraw/zinc/66/99/28/471669928.db2.gz QTZQTRKEFCOIAN-AEFFLSMTSA-N 1 3 325.456 2.455 10 0 EEAEHO Cn1c2ccccc2cc(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1=O ZINC000653570496 471669933 /nfs/dbraw/zinc/66/99/33/471669933.db2.gz QTZQTRKEFCOIAN-AEFFLSMTSA-N 1 3 325.456 2.455 10 0 EEAEHO CC(CN1CCC[C@@](O)(C2CC2)C1)C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661627981 471831450 /nfs/dbraw/zinc/83/14/50/471831450.db2.gz SHKDKFVUEMHAOS-PMACEKPBSA-N 1 3 336.520 2.096 10 0 EEAEHO CC(CN1CCC[C@@](O)(C2CC2)C1)C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661627981 471831454 /nfs/dbraw/zinc/83/14/54/471831454.db2.gz SHKDKFVUEMHAOS-PMACEKPBSA-N 1 3 336.520 2.096 10 0 EEAEHO CN(CCC[NH+]1CCN(C)CC1)Cc1cccc(F)c1OC(F)F ZINC000660145724 471881896 /nfs/dbraw/zinc/88/18/96/471881896.db2.gz XAAMHCJTUAMASL-UHFFFAOYSA-N 1 3 345.409 2.496 10 0 EEAEHO OC1CCN(Cc2ccc(C[NH2+][C@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000667756578 471894060 /nfs/dbraw/zinc/89/40/60/471894060.db2.gz ZOBKEEOHVOVHAY-QUCCMNQESA-N 1 3 330.472 2.300 10 0 EEAEHO O=C(CN1CCC[C@H]([C@@H]2CCCCO2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000661881317 471912394 /nfs/dbraw/zinc/91/23/94/471912394.db2.gz USJIJXDYAWNSPO-LPHOPBHVSA-N 1 3 349.519 2.011 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCCCC1(F)F ZINC000664980768 471917400 /nfs/dbraw/zinc/91/74/00/471917400.db2.gz FTINNWDGNBGZQL-LSDHHAIUSA-N 1 3 348.482 2.383 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCCCC1(F)F ZINC000664980768 471917405 /nfs/dbraw/zinc/91/74/05/471917405.db2.gz FTINNWDGNBGZQL-LSDHHAIUSA-N 1 3 348.482 2.383 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc2c(c1)CCOC2 ZINC000667836890 471923618 /nfs/dbraw/zinc/92/36/18/471923618.db2.gz ALAALCFHGNUVQR-HNNXBMFYSA-N 1 3 348.491 2.153 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc2c(c1)CCOC2 ZINC000667836890 471923621 /nfs/dbraw/zinc/92/36/21/471923621.db2.gz ALAALCFHGNUVQR-HNNXBMFYSA-N 1 3 348.491 2.153 10 0 EEAEHO O[C@@H]1CCN(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)C1 ZINC000665240334 471977270 /nfs/dbraw/zinc/97/72/70/471977270.db2.gz IMRJXOGOIBYVKK-XRXFAXGQSA-N 1 3 343.515 2.264 10 0 EEAEHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000665274863 471987170 /nfs/dbraw/zinc/98/71/70/471987170.db2.gz ZSMSJJZCONMZJQ-IJXRJRJASA-N 1 3 343.515 2.178 10 0 EEAEHO c1c(N2CCNCC2)n[nH]c1[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662337304 472076575 /nfs/dbraw/zinc/07/65/75/472076575.db2.gz LBPZLXDAKOSLHY-WCXIOVBPSA-N 1 3 329.492 2.045 10 0 EEAEHO c1c(N2CCNCC2)n[nH]c1[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662337304 472076581 /nfs/dbraw/zinc/07/65/81/472076581.db2.gz LBPZLXDAKOSLHY-WCXIOVBPSA-N 1 3 329.492 2.045 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)C1CCC(F)CC1 ZINC000665763548 472177430 /nfs/dbraw/zinc/17/74/30/472177430.db2.gz FFBZAOVCDKLURJ-JUVOFCAFSA-N 1 3 344.519 2.474 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)C1CCC(F)CC1 ZINC000665763548 472177433 /nfs/dbraw/zinc/17/74/33/472177433.db2.gz FFBZAOVCDKLURJ-JUVOFCAFSA-N 1 3 344.519 2.474 10 0 EEAEHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000662684207 472205235 /nfs/dbraw/zinc/20/52/35/472205235.db2.gz BZQYOAANZHBLBK-OALUTQOASA-N 1 3 337.423 2.173 10 0 EEAEHO NC1(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC2(CCC2)C1 ZINC000662699493 472213692 /nfs/dbraw/zinc/21/36/92/472213692.db2.gz BIMASUDRSTZPDM-GOSISDBHSA-N 1 3 341.499 2.329 10 0 EEAEHO NC1(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC2(CCC2)C1 ZINC000662699493 472213698 /nfs/dbraw/zinc/21/36/98/472213698.db2.gz BIMASUDRSTZPDM-GOSISDBHSA-N 1 3 341.499 2.329 10 0 EEAEHO C[NH2+]Cc1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1 ZINC000662782309 472249169 /nfs/dbraw/zinc/24/91/69/472249169.db2.gz IZROFNYAMHYTRB-UONOGXRCSA-N 1 3 346.349 2.329 10 0 EEAEHO CCN(C(=O)Nc1ccc(C)cc1OCC[NH+](C)C)[C@H]1CCN(C)C1 ZINC000666139722 472321035 /nfs/dbraw/zinc/32/10/35/472321035.db2.gz TUDHXWITKQWZDJ-INIZCTEOSA-N 1 3 348.491 2.493 10 0 EEAEHO C[C@@H]1C[C@@H](N[C@]2(CO)CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000679042441 485572060 /nfs/dbraw/zinc/57/20/60/485572060.db2.gz BNGOKTZMYITGOK-YZGWKJHDSA-N 1 3 331.504 2.086 10 0 EEAEHO C[C@@H]1C[C@@H](N[C@]2(CO)CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000679042441 485572063 /nfs/dbraw/zinc/57/20/63/485572063.db2.gz BNGOKTZMYITGOK-YZGWKJHDSA-N 1 3 331.504 2.086 10 0 EEAEHO C[C@@H]1C[C@@H](Nc2nccnc2N[C@@H]2CC[N@H+](C)[C@H](C)C2)CCN1C ZINC000680958759 486099145 /nfs/dbraw/zinc/09/91/45/486099145.db2.gz JLSORZRDTPSPQP-FPCVCCKLSA-N 1 3 332.496 2.266 10 0 EEAEHO C[C@@H]1C[C@@H](Nc2nccnc2N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCN1C ZINC000680958759 486099150 /nfs/dbraw/zinc/09/91/50/486099150.db2.gz JLSORZRDTPSPQP-FPCVCCKLSA-N 1 3 332.496 2.266 10 0 EEAEHO C[C@@H]1C[C@H](Nc2nccnc2N[C@H]2CC[N@H+](C)[C@H](C)C2)CCN1C ZINC000680958759 486099155 /nfs/dbraw/zinc/09/91/55/486099155.db2.gz JLSORZRDTPSPQP-FPCVCCKLSA-N 1 3 332.496 2.266 10 0 EEAEHO C[C@@H]1C[C@H](Nc2nccnc2N[C@H]2CC[N@@H+](C)[C@H](C)C2)CCN1C ZINC000680958759 486099160 /nfs/dbraw/zinc/09/91/60/486099160.db2.gz JLSORZRDTPSPQP-FPCVCCKLSA-N 1 3 332.496 2.266 10 0 EEAEHO [NH3+]C[C@H](C(=O)Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(F)cc1 ZINC000659365184 490599942 /nfs/dbraw/zinc/59/99/42/490599942.db2.gz DTQFXJALUXTXAS-ROUUACIJSA-N 1 3 343.402 2.168 10 0 EEAEHO CC(C)CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001485645001 1191877688 /nfs/dbraw/zinc/87/76/88/1191877688.db2.gz SYOLEJOCKQVWLD-DLBZAZTESA-N 1 3 341.540 2.216 10 0 EEAEHO CN(C[C@@H]1CCN1CCCCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001691413632 1178021536 /nfs/dbraw/zinc/02/15/36/1178021536.db2.gz SQZGSLUJIDQFFV-UXHICEINSA-N 1 3 343.515 2.494 10 0 EEAEHO CN(C[C@@H]1CCN1CCCCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001691413632 1178021545 /nfs/dbraw/zinc/02/15/45/1178021545.db2.gz SQZGSLUJIDQFFV-UXHICEINSA-N 1 3 343.515 2.494 10 0 EEAEHO Cc1ccccc1CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267052922 1178158229 /nfs/dbraw/zinc/15/82/29/1178158229.db2.gz IWBAHAFIMXCYIV-UYAOXDASSA-N 1 3 343.515 2.460 10 0 EEAEHO Cc1ccccc1CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267052921 1178158271 /nfs/dbraw/zinc/15/82/71/1178158271.db2.gz IWBAHAFIMXCYIV-AZUAARDMSA-N 1 3 343.515 2.460 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001267058719 1178166922 /nfs/dbraw/zinc/16/69/22/1178166922.db2.gz VMXZPCMPLRSZFT-ICSRJNTNSA-N 1 3 343.515 2.317 10 0 EEAEHO CC(C)OCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001691466423 1178897025 /nfs/dbraw/zinc/89/70/25/1178897025.db2.gz GDNIXTYGSPYQDO-KURKYZTESA-N 1 3 339.524 2.160 10 0 EEAEHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+](CC3CC4(CCC4)C3)C2)CCC1 ZINC001481095238 1179729486 /nfs/dbraw/zinc/72/94/86/1179729486.db2.gz GZBIVUKOZJHGCX-INIZCTEOSA-N 1 3 333.520 2.489 10 0 EEAEHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+](CC3CC4(CCC4)C3)C2)CCC1 ZINC001481095238 1179729494 /nfs/dbraw/zinc/72/94/94/1179729494.db2.gz GZBIVUKOZJHGCX-INIZCTEOSA-N 1 3 333.520 2.489 10 0 EEAEHO O=C(NCCN(C[C@H]1CCCCO1)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001481173477 1179990893 /nfs/dbraw/zinc/99/08/93/1179990893.db2.gz GIZBJBLKXAQMLW-GOSISDBHSA-N 1 3 349.519 2.012 10 0 EEAEHO Cc1nsc(C)c1CNCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001481228389 1180359630 /nfs/dbraw/zinc/35/96/30/1180359630.db2.gz BQBKLTSOFBPKIC-MRXNPFEDSA-N 1 3 338.521 2.181 10 0 EEAEHO Cc1nsc(C)c1CNCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001481228389 1180359634 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CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCc1ccc(OC)cc1)N(C)C ZINC001482065301 1183281243 /nfs/dbraw/zinc/28/12/43/1183281243.db2.gz WZLSQEYBWOMWNJ-IEBWSBKVSA-N 1 3 347.503 2.159 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC/C=C\C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001268620436 1183537853 /nfs/dbraw/zinc/53/78/53/1183537853.db2.gz WXIHIVQXPCPKRE-DLGQBQFBSA-N 1 3 345.274 2.107 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCc1c(F)cccc1F)N(C)C ZINC001268671008 1183599715 /nfs/dbraw/zinc/59/97/15/1183599715.db2.gz LJTWEMNGQSNILL-CXAGYDPISA-N 1 3 341.446 2.188 10 0 EEAEHO Cc1cccc(OCC[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CC2)c1 ZINC001269422409 1184254395 /nfs/dbraw/zinc/25/43/95/1184254395.db2.gz ACUANPBIDGNSOB-UHFFFAOYSA-N 1 3 345.487 2.097 10 0 EEAEHO CC[N@H+](C)CCC(=O)NCC1(N[C@@H](C)c2cnc(C)cn2)CCCC1 ZINC001482234588 1184430937 /nfs/dbraw/zinc/43/09/37/1184430937.db2.gz YIHUHKZGKMLECD-INIZCTEOSA-N 1 3 347.507 2.206 10 0 EEAEHO CC[N@@H+](C)CCC(=O)NCC1(N[C@@H](C)c2cnc(C)cn2)CCCC1 ZINC001482234588 1184430940 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ZINC001491188905 1258755145 /nfs/dbraw/zinc/75/51/45/1258755145.db2.gz YAEOLBTVEURKNY-MRXNPFEDSA-N 1 3 337.533 2.461 10 0 EEAEHO C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NCc1cccnc1 ZINC001491478795 1259129504 /nfs/dbraw/zinc/12/95/04/1259129504.db2.gz SUMUDACESVYQJF-YJBOKZPZSA-N 1 3 330.476 2.083 10 0 EEAEHO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)NCc1cccnc1 ZINC001491478795 1259129507 /nfs/dbraw/zinc/12/95/07/1259129507.db2.gz SUMUDACESVYQJF-YJBOKZPZSA-N 1 3 330.476 2.083 10 0 EEAEHO CN(CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)Cc1cccnc1 ZINC001490208297 1291000317 /nfs/dbraw/zinc/00/03/17/1291000317.db2.gz UBPQCRBXZJPBRS-IBGZPJMESA-N 1 3 344.503 2.427 10 0 EEAEHO CN(CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)Cc1cccnc1 ZINC001490208297 1291000327 /nfs/dbraw/zinc/00/03/27/1291000327.db2.gz UBPQCRBXZJPBRS-IBGZPJMESA-N 1 3 344.503 2.427 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1cnc(C)cn1 ZINC001276403799 1314998602 /nfs/dbraw/zinc/99/86/02/1314998602.db2.gz AHMCNQBXOYYZDA-WMZOPIPTSA-N 1 3 347.507 2.159 10 0 EEAEHO Cn1c2ccc(CNCc3ccc(CC[NH3+])cc3)cc2sc1=O ZINC000841032277 1315459154 /nfs/dbraw/zinc/45/91/54/1315459154.db2.gz AUENAXSGRBBXRA-UHFFFAOYSA-N 1 3 327.453 2.391 10 0 EEAEHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001263991605 1322579415 /nfs/dbraw/zinc/57/94/15/1322579415.db2.gz IYKHHWWMDVLIGV-KMWJSLMQSA-N 1 3 327.900 2.440 10 0 EEAEHO CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001264194956 1322662449 /nfs/dbraw/zinc/66/24/49/1322662449.db2.gz JEOSDDQNGHEQTB-IRXDYDNUSA-N 1 3 341.540 2.216 10 0 EEAEHO CCOCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001264194956 1322662456 /nfs/dbraw/zinc/66/24/56/1322662456.db2.gz JEOSDDQNGHEQTB-IRXDYDNUSA-N 1 3 341.540 2.216 10 0 EEAEHO COCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001264743962 1322799897 /nfs/dbraw/zinc/79/98/97/1322799897.db2.gz CHBKAGFYOTUHMQ-SFHVURJKSA-N 1 3 339.524 2.068 10 0 EEAEHO COCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001264743962 1322799900 /nfs/dbraw/zinc/79/99/00/1322799900.db2.gz CHBKAGFYOTUHMQ-SFHVURJKSA-N 1 3 339.524 2.068 10 0 EEAEHO COCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001265095363 1322917882 /nfs/dbraw/zinc/91/78/82/1322917882.db2.gz UVHQWKQXPVPMOZ-APWZRJJASA-N 1 3 347.503 2.367 10 0 EEAEHO O=C(CCCC[NH+]1CCCC1)N[C@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001265319694 1323067935 /nfs/dbraw/zinc/06/79/35/1323067935.db2.gz PXQUVPODGYWCLC-ZWKOTPCHSA-N 1 3 337.508 2.012 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCCCC(F)(F)F)C2)C1 ZINC001265494442 1323182686 /nfs/dbraw/zinc/18/26/86/1323182686.db2.gz OYLDQWLUBPBYSF-MGPQQGTHSA-N 1 3 335.414 2.298 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC001265963705 1323525038 /nfs/dbraw/zinc/52/50/38/1323525038.db2.gz JVLRPZJIUWEQQH-RBUKOAKNSA-N 1 3 329.488 2.070 10 0 EEAEHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1cnn(C(C)(C)C)c1 ZINC001266028432 1323579100 /nfs/dbraw/zinc/57/91/00/1323579100.db2.gz STOHVNRGJBWQHT-KRWDZBQOSA-N 1 3 349.523 2.061 10 0 EEAEHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1cnn(C(C)(C)C)c1 ZINC001266028432 1323579108 /nfs/dbraw/zinc/57/91/08/1323579108.db2.gz STOHVNRGJBWQHT-KRWDZBQOSA-N 1 3 349.523 2.061 10 0 EEAEHO COCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001279567101 1323940504 /nfs/dbraw/zinc/94/05/04/1323940504.db2.gz WCACPOVIPWVWQE-BZSNNMDCSA-N 1 3 339.524 2.065 10 0 EEAEHO COCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001279567101 1323940510 /nfs/dbraw/zinc/94/05/10/1323940510.db2.gz WCACPOVIPWVWQE-BZSNNMDCSA-N 1 3 339.524 2.065 10 0 EEAEHO C[NH+](C)CCCC(=O)NCC1=CCN(CCc2ccccc2F)CC1 ZINC001279622059 1323962424 /nfs/dbraw/zinc/96/24/24/1323962424.db2.gz PJALZUUVXKCTPE-UHFFFAOYSA-N 1 3 347.478 2.458 10 0 EEAEHO O=C(N[C@@H](CNCCF)C1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001276641290 1324939724 /nfs/dbraw/zinc/93/97/24/1324939724.db2.gz LESWAWKHSWXIAN-IRXDYDNUSA-N 1 3 325.472 2.237 10 0 EEAEHO O=C(N[C@@H](CNCCF)C1CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001276641290 1324939727 /nfs/dbraw/zinc/93/97/27/1324939727.db2.gz LESWAWKHSWXIAN-IRXDYDNUSA-N 1 3 325.472 2.237 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001491650823 1330198888 /nfs/dbraw/zinc/19/88/88/1330198888.db2.gz SQJMMGOZIYQJNA-PXAZEXFGSA-N 1 3 339.430 2.388 10 0 EEAEHO Cc1cncc(CN[C@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001491603090 1330200698 /nfs/dbraw/zinc/20/06/98/1330200698.db2.gz QLYQUDNTHVKMGR-SJORKVTESA-N 1 3 332.492 2.249 10 0 EEAEHO CN(C)C1(C(=O)NCCC[N@H+](C)CCc2ccccc2F)CCC1 ZINC001316829864 1331919907 /nfs/dbraw/zinc/91/99/07/1331919907.db2.gz KWJARKGDLGYNTK-UHFFFAOYSA-N 1 3 335.467 2.291 10 0 EEAEHO CN(C)C1(C(=O)NCCC[N@@H+](C)CCc2ccccc2F)CCC1 ZINC001316829864 1331919909 /nfs/dbraw/zinc/91/99/09/1331919909.db2.gz KWJARKGDLGYNTK-UHFFFAOYSA-N 1 3 335.467 2.291 10 0 EEAEHO CC(C)c1cccc(CN(C)CCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001316851013 1331934663 /nfs/dbraw/zinc/93/46/63/1331934663.db2.gz OFPWMROJDCYXCI-QGZVFWFLSA-N 1 3 346.519 2.485 10 0 EEAEHO CC(C)c1cccc(CN(C)CCCNC(=O)C[N@H+]2CC[C@@H](C)C2)n1 ZINC001316851013 1331934666 /nfs/dbraw/zinc/93/46/66/1331934666.db2.gz OFPWMROJDCYXCI-QGZVFWFLSA-N 1 3 346.519 2.485 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H](C[NH2+]CCC3CC3)C2)C1 ZINC001317339512 1332185669 /nfs/dbraw/zinc/18/56/69/1332185669.db2.gz SEICTZGARGPVOU-VQIMIIECSA-N 1 3 339.499 2.437 10 0 EEAEHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ccccn1)N(C)C ZINC001317433527 1332237276 /nfs/dbraw/zinc/23/72/76/1332237276.db2.gz FJNPIGCVVAKAKQ-MSOLQXFVSA-N 1 3 332.492 2.283 10 0 EEAEHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1ccccn1)N(C)C ZINC001317433527 1332237277 /nfs/dbraw/zinc/23/72/77/1332237277.db2.gz FJNPIGCVVAKAKQ-MSOLQXFVSA-N 1 3 332.492 2.283 10 0 EEAEHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001318531488 1332556724 /nfs/dbraw/zinc/55/67/24/1332556724.db2.gz UFMAXYHNCFJMDA-CQSZACIVSA-N 1 3 338.883 2.204 10 0 EEAEHO Cc1cc(C[NH2+]CCC2CCN(C(=O)C3(N(C)C)CCC3)CC2)on1 ZINC001318895453 1332619075 /nfs/dbraw/zinc/61/90/75/1332619075.db2.gz HTFIJOCKHQNHGJ-UHFFFAOYSA-N 1 3 348.491 2.186 10 0 EEAEHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001319238065 1332669191 /nfs/dbraw/zinc/66/91/91/1332669191.db2.gz OBKZNPFOKUAKRH-XJKSGUPXSA-N 1 3 340.899 2.163 10 0 EEAEHO CCn1ccc(CNCC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001320570137 1332912788 /nfs/dbraw/zinc/91/27/88/1332912788.db2.gz NHWSFHIKCSMJGI-WMZOPIPTSA-N 1 3 349.523 2.150 10 0 EEAEHO CCn1ccc(CNCC[C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)n1 ZINC001320570137 1332912790 /nfs/dbraw/zinc/91/27/90/1332912790.db2.gz NHWSFHIKCSMJGI-WMZOPIPTSA-N 1 3 349.523 2.150 10 0 EEAEHO CCN(CC[NH2+]C[C@@H]1CC[C@H](C)O1)C(=O)c1cccc(CN(C)C)c1 ZINC001320928421 1332980952 /nfs/dbraw/zinc/98/09/52/1332980952.db2.gz KGSMYYJZJIDGFW-LPHOPBHVSA-N 1 3 347.503 2.367 10 0 EEAEHO CN(CC(=O)N(C)CCC[NH2+]Cc1cncc(F)c1)CC(C)(C)C ZINC001322693890 1333308573 /nfs/dbraw/zinc/30/85/73/1333308573.db2.gz MADKBZBVCIDJLO-UHFFFAOYSA-N 1 3 338.471 2.137 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)CCC[NH2+]Cc1ccncc1Cl ZINC001322843649 1333338936 /nfs/dbraw/zinc/33/89/36/1333338936.db2.gz FJTRFEYHMKEEPE-UHFFFAOYSA-N 1 3 326.872 2.013 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCCc2cccc(C)c2)CC1 ZINC001323602062 1333496630 /nfs/dbraw/zinc/49/66/30/1333496630.db2.gz KQFPCIUVALCBJD-UHFFFAOYSA-N 1 3 340.471 2.440 10 0 EEAEHO CN1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(F)cn2)C1 ZINC001326302049 1334063510 /nfs/dbraw/zinc/06/35/10/1334063510.db2.gz FPRVESCMSORVMP-QAPCUYQASA-N 1 3 348.466 2.033 10 0 EEAEHO CC[C@@H](C(=O)NC1(C[NH2+]CCCC(C)(C)C)CCOCC1)N(C)C ZINC001327669248 1334330672 /nfs/dbraw/zinc/33/06/72/1334330672.db2.gz FUROYLJPJVBXLX-INIZCTEOSA-N 1 3 341.540 2.408 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)[C@@H](C[NH2+]CCC(F)(F)F)C2CC2)C1 ZINC001331326932 1334997109 /nfs/dbraw/zinc/99/71/09/1334997109.db2.gz VSHXIIYSFOLJGC-OCCSQVGLSA-N 1 3 335.414 2.107 10 0 EEAEHO C[N@@H+]1CCC[C@H](N2CCN(CC3([C@H]4CCCCO4)CCC3)CC2)C1 ZINC001413968968 1338752743 /nfs/dbraw/zinc/75/27/43/1338752743.db2.gz XFYQKBGPPKKGGT-RBUKOAKNSA-N 1 3 335.536 2.438 10 0 EEAEHO C[N@H+]1CCC[C@H](N2CCN(CC3([C@H]4CCCCO4)CCC3)CC2)C1 ZINC001413968968 1338752745 /nfs/dbraw/zinc/75/27/45/1338752745.db2.gz XFYQKBGPPKKGGT-RBUKOAKNSA-N 1 3 335.536 2.438 10 0 EEAEHO C[C@@H](CC[NH2+]CCc1ccccc1F)NC(=O)CN1CC[C@@H](C)C1 ZINC001668214682 1355900715 /nfs/dbraw/zinc/90/07/15/1355900715.db2.gz NGRHGNWFLLZXAI-CVEARBPZSA-N 1 3 335.467 2.194 10 0 EEAEHO CCOCCN1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001566928510 1342654206 /nfs/dbraw/zinc/65/42/06/1342654206.db2.gz JHIYFFWZZYGCIC-GOSISDBHSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCCC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1 ZINC001656889623 1354294599 /nfs/dbraw/zinc/29/45/99/1354294599.db2.gz NAOBAABNHDLZLR-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO Cc1cccnc1CN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001660744215 1354530268 /nfs/dbraw/zinc/53/02/68/1354530268.db2.gz CBZQKMORUSCPCV-QGZVFWFLSA-N 1 3 344.503 2.203 10 0 EEAEHO Cc1cccnc1CN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001660744215 1354530271 /nfs/dbraw/zinc/53/02/71/1354530271.db2.gz CBZQKMORUSCPCV-QGZVFWFLSA-N 1 3 344.503 2.203 10 0 EEAEHO COCCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001666287449 1355503426 /nfs/dbraw/zinc/50/34/26/1355503426.db2.gz XQDNRZSFAPUFRK-QAQDUYKDSA-N 1 3 339.524 2.304 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/CNCc1scnc1C ZINC001668854141 1356024006 /nfs/dbraw/zinc/02/40/06/1356024006.db2.gz PDKBYLLRZOJRRY-RGDDUWESSA-N 1 3 336.505 2.088 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C/CNCc1scnc1C ZINC001668854141 1356024014 /nfs/dbraw/zinc/02/40/14/1356024014.db2.gz PDKBYLLRZOJRRY-RGDDUWESSA-N 1 3 336.505 2.088 10 0 EEAEHO CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccc2c(c1)COC2)N(C)C ZINC001668872598 1356031226 /nfs/dbraw/zinc/03/12/26/1356031226.db2.gz KPFMJOSCYYSKJR-UEKDZROGSA-N 1 3 345.487 2.065 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001669749788 1356202347 /nfs/dbraw/zinc/20/23/47/1356202347.db2.gz ATHMBDFZRGPOQC-ZFWWWQNUSA-N 1 3 338.883 2.204 10 0 EEAEHO COCC[NH2+]C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C1CCCC1 ZINC001671558979 1356362210 /nfs/dbraw/zinc/36/22/10/1356362210.db2.gz LLCOBRCTJIUVEJ-FUHWJXTLSA-N 1 3 339.524 2.162 10 0 EEAEHO CCc1nocc1C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001672816914 1356591614 /nfs/dbraw/zinc/59/16/14/1356591614.db2.gz ZCIIERZWIZTICZ-MAUKXSAKSA-N 1 3 348.491 2.050 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cc(C)ns2)C1)N(C)C ZINC001672897983 1356610279 /nfs/dbraw/zinc/61/02/79/1356610279.db2.gz YYRKHPNXDRLGPC-HOCLYGCPSA-N 1 3 338.521 2.120 10 0 EEAEHO Cc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c(C)n1 ZINC001672917723 1356614515 /nfs/dbraw/zinc/61/45/15/1356614515.db2.gz YRLRTVPOHIZKEY-GOSISDBHSA-N 1 3 346.519 2.367 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001673922728 1356760456 /nfs/dbraw/zinc/76/04/56/1356760456.db2.gz CCUHGUXXTVZCGB-DZGCQCFKSA-N 1 3 338.883 2.013 10 0 EEAEHO CCOCCN(C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001674500006 1356848667 /nfs/dbraw/zinc/84/86/67/1356848667.db2.gz ULASZHUGDYJNAT-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO COCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001698954416 1405187030 /nfs/dbraw/zinc/18/70/30/1405187030.db2.gz UEFYXINAWSSWCQ-VQIMIIECSA-N 1 3 347.503 2.225 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC[C@@H]1CC1(Cl)Cl)N(C)C ZINC001699366207 1405341633 /nfs/dbraw/zinc/34/16/33/1405341633.db2.gz FGPSAIXUSQMLRC-UPJWGTAASA-N 1 3 338.323 2.251 10 0 EEAEHO Cc1cc(CNCCCN(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)on1 ZINC001699545513 1405379542 /nfs/dbraw/zinc/37/95/42/1405379542.db2.gz SUEDLRTVHIMEQT-HOTGVXAUSA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1cc(C)cc([C@@H](O)C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000819085330 785395817 /nfs/dbraw/zinc/39/58/17/785395817.db2.gz UFLAAJXXDIFCLZ-XLIONFOSSA-N 1 3 332.488 2.427 10 0 EEAEHO Cc1cc(F)cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1N ZINC001136491538 786856675 /nfs/dbraw/zinc/85/66/75/786856675.db2.gz WJESIIYCPYIHAE-UHFFFAOYSA-N 1 3 348.466 2.005 10 0 EEAEHO O=S1(=O)Cc2ccccc2[C@@H](NCCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923397386 789493404 /nfs/dbraw/zinc/49/34/04/789493404.db2.gz CTFRPOCOMUEGJR-NZZOQPFGSA-N 1 3 334.485 2.166 10 0 EEAEHO C[C@@H](NC(=O)[C@@H](C)N1CCC2(CO[C@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000923447970 789560571 /nfs/dbraw/zinc/56/05/71/789560571.db2.gz YVBIIKYDDXEFOW-NUJGCVRESA-N 1 3 345.487 2.082 10 0 EEAEHO Cc1ccc(CN(C(=O)CN2CC[C@@H](C[NH3+])[C@@H](C)C2)C2CC2)cc1 ZINC000923496368 789655293 /nfs/dbraw/zinc/65/52/93/789655293.db2.gz BMMXPVOUAAGOMJ-WMZOPIPTSA-N 1 3 329.488 2.403 10 0 EEAEHO COCCC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)N2CCCC2)C1 ZINC001566072086 1125546039 /nfs/dbraw/zinc/54/60/39/1125546039.db2.gz QHPSRKHNBVIBPT-KRWDZBQOSA-N 1 3 339.524 2.258 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1cnccc1C ZINC001566550735 1125722432 /nfs/dbraw/zinc/72/24/32/1125722432.db2.gz STIBIOFBIVKIRQ-IBGZPJMESA-N 1 3 344.503 2.060 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1CCOCC1 ZINC001436663789 1088092743 /nfs/dbraw/zinc/09/27/43/1088092743.db2.gz HJZGFYGLNPESHG-WMZOPIPTSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C1CC[NH+](C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001436699073 1088161004 /nfs/dbraw/zinc/16/10/04/1088161004.db2.gz LXQRLUHEWPGACO-DLBZAZTESA-N 1 3 339.524 2.065 10 0 EEAEHO Cc1ccc(C[NH2+][C@H](C)CCNC(=O)C2(N(C)C)CCC2)c(C)n1 ZINC001437384381 1089633700 /nfs/dbraw/zinc/63/37/00/1089633700.db2.gz TXLKRMWSJVGFDQ-CQSZACIVSA-N 1 3 332.492 2.167 10 0 EEAEHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1sccc1Cl ZINC001438373773 1090852796 /nfs/dbraw/zinc/85/27/96/1090852796.db2.gz UWTSFHSUPMUTBW-NWDGAFQWSA-N 1 3 329.897 2.338 10 0 EEAEHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1sccc1Cl ZINC001438373773 1090852800 /nfs/dbraw/zinc/85/28/00/1090852800.db2.gz UWTSFHSUPMUTBW-NWDGAFQWSA-N 1 3 329.897 2.338 10 0 EEAEHO C[C@H]1CCCC[C@]1(CNCc1cncs1)NC(=O)CC[NH+](C)C ZINC001438433991 1090935547 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CC[N@@H+](CC[C@H](C)F)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001440707560 1093956349 /nfs/dbraw/zinc/95/63/49/1093956349.db2.gz SPWQBHVGORQAHG-INIZCTEOSA-N 1 3 327.488 2.391 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](CNCc2c(F)cccc2F)C1 ZINC001449051569 1094065307 /nfs/dbraw/zinc/06/53/07/1094065307.db2.gz HDSUGGHDKLRACG-ZIAGYGMSSA-N 1 3 339.430 2.291 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCc1cc(F)cc(F)c1 ZINC001440835156 1094087591 /nfs/dbraw/zinc/08/75/91/1094087591.db2.gz MDYFKRUSOGNUSX-STQMWFEESA-N 1 3 327.419 2.289 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCc1cc(F)cc(F)c1 ZINC001440835156 1094087599 /nfs/dbraw/zinc/08/75/99/1094087599.db2.gz MDYFKRUSOGNUSX-STQMWFEESA-N 1 3 327.419 2.289 10 0 EEAEHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C2)c(C)n1 ZINC001449390751 1094366800 /nfs/dbraw/zinc/36/68/00/1094366800.db2.gz XZHDWEFWGWXZGK-ACBHZAAOSA-N 1 3 346.519 2.364 10 0 EEAEHO Cc1cccnc1CN1CCC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001441578210 1095373204 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CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCc2ccccc2C)C1)N(C)C ZINC001480120212 1099684437 /nfs/dbraw/zinc/68/44/37/1099684437.db2.gz ARWDIALCAWRVAJ-RBUKOAKNSA-N 1 3 331.504 2.458 10 0 EEAEHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCCc2ccccc2)C1)N(C)C ZINC001480120048 1099684582 /nfs/dbraw/zinc/68/45/82/1099684582.db2.gz BDFGABBWSPHSGQ-OALUTQOASA-N 1 3 331.504 2.396 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCC(F)(F)C3)C2)CCC1 ZINC001480142997 1099710674 /nfs/dbraw/zinc/71/06/74/1099710674.db2.gz WPUDVDBLFGGLHZ-MGPQQGTHSA-N 1 3 329.435 2.143 10 0 EEAEHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CNCc2ccccn2)C2CCCCC2)C1 ZINC001444800876 1099719472 /nfs/dbraw/zinc/71/94/72/1099719472.db2.gz YMMFAMLFXCZPGL-MJGOQNOKSA-N 1 3 344.503 2.188 10 0 EEAEHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CNCc2ccccn2)C2CCCCC2)C1 ZINC001444800876 1099719482 /nfs/dbraw/zinc/71/94/82/1099719482.db2.gz YMMFAMLFXCZPGL-MJGOQNOKSA-N 1 3 344.503 2.188 10 0 EEAEHO COCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001480317086 1100052418 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Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCc2ccccc21 ZINC001497316207 1102306028 /nfs/dbraw/zinc/30/60/28/1102306028.db2.gz DSVVVNJEMZSZKV-SUMWQHHRSA-N 1 3 326.444 2.433 10 0 EEAEHO CC[C@H](F)C[NH2+]CCN(CC)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001497453338 1102512056 /nfs/dbraw/zinc/51/20/56/1102512056.db2.gz AYNGVIAFLNXFFN-WMLDXEAASA-N 1 3 333.467 2.385 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001497580812 1102695359 /nfs/dbraw/zinc/69/53/59/1102695359.db2.gz YIRFJTZUESUCAP-PYTPGESOSA-N 1 3 330.476 2.025 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001497580812 1102695366 /nfs/dbraw/zinc/69/53/66/1102695366.db2.gz YIRFJTZUESUCAP-PYTPGESOSA-N 1 3 330.476 2.025 10 0 EEAEHO CC(C)N(C)CC(=O)NC1(C[NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC001447498096 1102752745 /nfs/dbraw/zinc/75/27/45/1102752745.db2.gz QLRQUYHZFUSNIW-QGZVFWFLSA-N 1 3 347.503 2.343 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC/C=C/C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001497675824 1102882986 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339.524 2.112 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]CC1CC(F)(F)C1 ZINC001494986373 1104630588 /nfs/dbraw/zinc/63/05/88/1104630588.db2.gz SQYPYOQFFYTGJL-CABCVRRESA-N 1 3 331.451 2.389 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C)c(OC)c1 ZINC001497994226 1106754506 /nfs/dbraw/zinc/75/45/06/1106754506.db2.gz YCOXUVVFWKYGAY-AEFFLSMTSA-N 1 3 347.503 2.472 10 0 EEAEHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]CCc3cccs3)C2)CCC1 ZINC001480649793 1106819450 /nfs/dbraw/zinc/81/94/50/1106819450.db2.gz YYBYTRQPDFAPID-OAHLLOKOSA-N 1 3 335.517 2.213 10 0 EEAEHO CO[C@@H](C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1)c1ccccc1 ZINC001480682420 1106873691 /nfs/dbraw/zinc/87/36/91/1106873691.db2.gz GCVVTOYFKOSKFQ-HKUYNNGSSA-N 1 3 347.503 2.152 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CCCCCF)C2)C1 ZINC001480735792 1107006420 /nfs/dbraw/zinc/00/64/20/1107006420.db2.gz JXBKTOPRVSFYJM-IAGOWNOFSA-N 1 3 327.488 2.391 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CCCCCF)C2)C1 ZINC001480735792 1107006429 /nfs/dbraw/zinc/00/64/29/1107006429.db2.gz JXBKTOPRVSFYJM-IAGOWNOFSA-N 1 3 327.488 2.391 10 0 EEAEHO COc1ccc(CN(C)C[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001498424258 1107494162 /nfs/dbraw/zinc/49/41/62/1107494162.db2.gz DBKNERBNYFNHBI-INIZCTEOSA-N 1 3 345.487 2.036 10 0 EEAEHO C[NH+](C)CCC(=O)NCCN(Cc1ccc2c(c1)CCC2)C1CC1 ZINC001493407040 1108097105 /nfs/dbraw/zinc/09/71/05/1108097105.db2.gz KVNIJCXGAPZSKM-UHFFFAOYSA-N 1 3 329.488 2.208 10 0 EEAEHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1)N(C)C ZINC001479409989 1110693276 /nfs/dbraw/zinc/69/32/76/1110693276.db2.gz YUIGFLIGBIWCHV-FPCVCCKLSA-N 1 3 345.478 2.492 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CCc1ccc(F)c(F)c1 ZINC001499930271 1112545779 /nfs/dbraw/zinc/54/57/79/1112545779.db2.gz UWEFNVRLNDJMSQ-HNNXBMFYSA-N 1 3 348.397 2.054 10 0 EEAEHO CCOCCN1CC[C@@](C)(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001500243010 1112699208 /nfs/dbraw/zinc/69/92/08/1112699208.db2.gz ISAVQQKIQYNCLO-LJQANCHMSA-N 1 3 339.524 2.258 10 0 EEAEHO CCOCCN1CC[C@@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001500243010 1112699210 /nfs/dbraw/zinc/69/92/10/1112699210.db2.gz ISAVQQKIQYNCLO-LJQANCHMSA-N 1 3 339.524 2.258 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CCNCc3conc3C)C2)CC[N@@H+]1C ZINC001501568624 1113385583 /nfs/dbraw/zinc/38/55/83/1113385583.db2.gz NRHUYCDUAAFWKK-RYQLBKOJSA-N 1 3 348.491 2.042 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CCNCc3conc3C)C2)CC[N@H+]1C ZINC001501568624 1113385585 /nfs/dbraw/zinc/38/55/85/1113385585.db2.gz NRHUYCDUAAFWKK-RYQLBKOJSA-N 1 3 348.491 2.042 10 0 EEAEHO O=C(NCC1(NC/C=C\Cl)CCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001502008762 1113556826 /nfs/dbraw/zinc/55/68/26/1113556826.db2.gz PZGXJPLCHHZQNG-JYTFZEJGSA-N 1 3 325.884 2.384 10 0 EEAEHO O=C(NCC1(NC/C=C\Cl)CCC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001502008762 1113556831 /nfs/dbraw/zinc/55/68/31/1113556831.db2.gz PZGXJPLCHHZQNG-JYTFZEJGSA-N 1 3 325.884 2.384 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001506001434 1114333746 /nfs/dbraw/zinc/33/37/46/1114333746.db2.gz ALVRDKQXJMPXGN-JKSUJKDBSA-N 1 3 342.487 2.446 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001506001434 1114333750 /nfs/dbraw/zinc/33/37/50/1114333750.db2.gz ALVRDKQXJMPXGN-JKSUJKDBSA-N 1 3 342.487 2.446 10 0 EEAEHO CC(C)OCCC[N@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001506959190 1115006696 /nfs/dbraw/zinc/00/66/96/1115006696.db2.gz YRVSGXUSHOEIOB-UHFFFAOYSA-N 1 3 339.524 2.209 10 0 EEAEHO CC(C)OCCC[N@@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001506959190 1115006700 /nfs/dbraw/zinc/00/67/00/1115006700.db2.gz YRVSGXUSHOEIOB-UHFFFAOYSA-N 1 3 339.524 2.209 10 0 EEAEHO CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NC/C(Cl)=C\Cl ZINC001506992876 1115037915 /nfs/dbraw/zinc/03/79/15/1115037915.db2.gz URAQOTZJQLUVHK-FWRQMEPDSA-N 1 3 336.307 2.378 10 0 EEAEHO CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NC/C(Cl)=C\Cl ZINC001506992876 1115037917 /nfs/dbraw/zinc/03/79/17/1115037917.db2.gz URAQOTZJQLUVHK-FWRQMEPDSA-N 1 3 336.307 2.378 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCC(C)(C)C ZINC001507629138 1115312181 /nfs/dbraw/zinc/31/21/81/1115312181.db2.gz WXHJYKYMXYELTQ-SJORKVTESA-N 1 3 341.540 2.047 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCC(C)(C)C ZINC001507629138 1115312183 /nfs/dbraw/zinc/31/21/83/1115312183.db2.gz WXHJYKYMXYELTQ-SJORKVTESA-N 1 3 341.540 2.047 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1=CC[N@H+](CCc2ccccc2)CC1 ZINC001508230616 1115455762 /nfs/dbraw/zinc/45/57/62/1115455762.db2.gz YBXSKQQHBGBGPQ-UHFFFAOYSA-N 1 3 329.488 2.318 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1=CC[N@@H+](CCc2ccccc2)CC1 ZINC001508230616 1115455764 /nfs/dbraw/zinc/45/57/64/1115455764.db2.gz YBXSKQQHBGBGPQ-UHFFFAOYSA-N 1 3 329.488 2.318 10 0 EEAEHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000340094453 539823362 /nfs/dbraw/zinc/82/33/62/539823362.db2.gz LEDYLNSZUNMZQG-CGTJXYLNSA-N 1 3 332.492 2.461 10 0 EEAEHO C[C@H]1C[C@@H](N(C)C(=O)C2(c3ccccc3)CC[NH2+]CC2)CCN1C ZINC000237692759 291059922 /nfs/dbraw/zinc/05/99/22/291059922.db2.gz XCUFWMCBTRYXKO-WMZOPIPTSA-N 1 3 329.488 2.249 10 0 EEAEHO C[C@H]([NH2+]C[C@H](O)CN1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274908603 201273530 /nfs/dbraw/zinc/27/35/30/201273530.db2.gz MOSJNUYQCQCKIE-TYPHKJRUSA-N 1 3 345.531 2.333 10 0 EEAEHO C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2CNCCO2)CCN1Cc1ccccc1 ZINC000422838492 240254035 /nfs/dbraw/zinc/25/40/35/240254035.db2.gz OOFXZIIXGORMDB-QYRPDUKASA-N 1 3 343.515 2.396 10 0 EEAEHO C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1cnccc1N ZINC000423027439 240335468 /nfs/dbraw/zinc/33/54/68/240335468.db2.gz OZMWDTUBVSLUTB-UKRRQHHQSA-N 1 3 326.448 2.203 10 0 EEAEHO CN([C@@H](C[NH3+])c1ccccc1Br)C1CCN(C)CC1 ZINC000019511899 212035330 /nfs/dbraw/zinc/03/53/30/212035330.db2.gz ZMMLEXIMHBCNMO-HNNXBMFYSA-N 1 3 326.282 2.475 10 0 EEAEHO CCNC(=O)N1CC[C@H](N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000272854692 256243986 /nfs/dbraw/zinc/24/39/86/256243986.db2.gz TVAWWTTVEFONCP-NEWSRXKRSA-N 1 3 344.503 2.290 10 0 EEAEHO CCNC(=O)N1CC[C@H](N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000272854692 256243987 /nfs/dbraw/zinc/24/39/87/256243987.db2.gz TVAWWTTVEFONCP-NEWSRXKRSA-N 1 3 344.503 2.290 10 0 EEAEHO C[NH+](C)CC1CCN(c2ncc(Br)cc2CN)CC1 ZINC000051397510 132181101 /nfs/dbraw/zinc/18/11/01/132181101.db2.gz UIQBZCLGPHOXHY-UHFFFAOYSA-N 1 3 327.270 2.081 10 0 EEAEHO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1cccc(OCCN(C)C)c1 ZINC000125565597 143745182 /nfs/dbraw/zinc/74/51/82/143745182.db2.gz WNGBGUMLISSPLD-APWZRJJASA-N 1 3 336.476 2.067 10 0 EEAEHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000105169848 159297925 /nfs/dbraw/zinc/29/79/25/159297925.db2.gz QQMIPPHFNWKPHA-MOPGFXCFSA-N 1 3 346.519 2.190 10 0 EEAEHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000105169848 159297928 /nfs/dbraw/zinc/29/79/28/159297928.db2.gz QQMIPPHFNWKPHA-MOPGFXCFSA-N 1 3 346.519 2.190 10 0 EEAEHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188712946 160127208 /nfs/dbraw/zinc/12/72/08/160127208.db2.gz JYWMSTFTUFCSDC-ZWKOTPCHSA-N 1 3 333.451 2.235 10 0 EEAEHO C[C@@H]1CCCN(CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000193496395 160182405 /nfs/dbraw/zinc/18/24/05/160182405.db2.gz ZYFIHMWBBQQIEF-QGZVFWFLSA-N 1 3 336.524 2.236 10 0 EEAEHO c1ncc(NCC[NH+]2CCCCC2)nc1NCCN1CCCCC1 ZINC000341554873 160997458 /nfs/dbraw/zinc/99/74/58/160997458.db2.gz XUOQUPNHCSAZGC-UHFFFAOYSA-N 1 3 332.496 2.272 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000104190612 273948527 /nfs/dbraw/zinc/94/85/27/273948527.db2.gz DTLREMSRVPAGQY-UHFFFAOYSA-N 1 3 346.450 2.182 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)CC(F)(F)F ZINC000457519406 279328877 /nfs/dbraw/zinc/32/88/77/279328877.db2.gz FCQPQGCZNSOIQA-KGLIPLIRSA-N 1 3 337.430 2.449 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)CC(F)(F)F ZINC000457519406 279328878 /nfs/dbraw/zinc/32/88/78/279328878.db2.gz FCQPQGCZNSOIQA-KGLIPLIRSA-N 1 3 337.430 2.449 10 0 EEAEHO COc1ccccc1/C=C\CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414971306 313117457 /nfs/dbraw/zinc/11/74/57/313117457.db2.gz IAWPQRGMRRCORB-DQOPKJQZSA-N 1 3 343.393 2.134 10 0 EEAEHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416882831 313347589 /nfs/dbraw/zinc/34/75/89/313347589.db2.gz BAUVZEDAQXQRPX-JKSUJKDBSA-N 1 3 330.476 2.174 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1cccc(OC)c1 ZINC000416930614 313363897 /nfs/dbraw/zinc/36/38/97/313363897.db2.gz YVXSGEGVTDZECR-JCGIZDLHSA-N 1 3 348.491 2.209 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccsc1 ZINC000417008629 313392240 /nfs/dbraw/zinc/39/22/40/313392240.db2.gz MFCHNJYJFMRRDW-NUEKZKHPSA-N 1 3 338.521 2.428 10 0 EEAEHO CN1CCN(CC[NH2+]C2CC(OCc3ccccc3)C2)CC1(C)C ZINC000442873476 315216573 /nfs/dbraw/zinc/21/65/73/315216573.db2.gz PDOOCCHCTZJDCG-UHFFFAOYSA-N 1 3 331.504 2.350 10 0 EEAEHO CN(CCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccncc1 ZINC000541856630 318112314 /nfs/dbraw/zinc/11/23/14/318112314.db2.gz ZFYXEJAJVGVIOF-APWZRJJASA-N 1 3 342.487 2.383 10 0 EEAEHO CN(CCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccncc1 ZINC000541856630 318112315 /nfs/dbraw/zinc/11/23/15/318112315.db2.gz ZFYXEJAJVGVIOF-APWZRJJASA-N 1 3 342.487 2.383 10 0 EEAEHO CN(CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1cc[nH+]cc1 ZINC000542786981 318139805 /nfs/dbraw/zinc/13/98/05/318139805.db2.gz QQYJABSYKCQLHG-GOSISDBHSA-N 1 3 338.455 2.299 10 0 EEAEHO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(CN)nc3C)C2)n(C)n1 ZINC000565475084 319185684 /nfs/dbraw/zinc/18/56/84/319185684.db2.gz OHSMZRFGKDMSAP-RDJZCZTQSA-N 1 3 342.491 2.210 10 0 EEAEHO CN(Cc1ccc2c(c1)C[NH2+]CC2)C[C@H](O)COCc1ccccc1 ZINC000567396153 319376500 /nfs/dbraw/zinc/37/65/00/319376500.db2.gz UQXRCRAHTYAERR-NRFANRHFSA-N 1 3 340.467 2.342 10 0 EEAEHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000574548848 320036005 /nfs/dbraw/zinc/03/60/05/320036005.db2.gz NOHDBRODGQEHQV-OWLYRPNTSA-N 1 3 330.476 2.119 10 0 EEAEHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000047964842 462843191 /nfs/dbraw/zinc/84/31/91/462843191.db2.gz UDSOXEBQRDXSJS-SJLPKXTDSA-N 1 3 332.492 2.290 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)NC[C@@H](C)[NH+](CC)CC)cc2)CC1 ZINC000118771092 462851536 /nfs/dbraw/zinc/85/15/36/462851536.db2.gz JAIFHEZNIXGSHP-QGZVFWFLSA-N 1 3 346.519 2.289 10 0 EEAEHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccccc1OCCN(C)C ZINC000097667987 463361667 /nfs/dbraw/zinc/36/16/67/463361667.db2.gz BOULVVXUZYRUSP-DLBZAZTESA-N 1 3 347.503 2.477 10 0 EEAEHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccccc1OCCN(C)C ZINC000097667987 463361671 /nfs/dbraw/zinc/36/16/71/463361671.db2.gz BOULVVXUZYRUSP-DLBZAZTESA-N 1 3 347.503 2.477 10 0 EEAEHO CCS[C@H]1CCCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000112089062 463690194 /nfs/dbraw/zinc/69/01/94/463690194.db2.gz LQRAHNVRUANHBH-KRWDZBQOSA-N 1 3 339.549 2.337 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2(N)CCOCC2)cc1 ZINC000261799561 463863811 /nfs/dbraw/zinc/86/38/11/463863811.db2.gz ISENPGUDUGTNPZ-MRXNPFEDSA-N 1 3 345.487 2.185 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2(N)CCOCC2)cc1 ZINC000261799561 463863815 /nfs/dbraw/zinc/86/38/15/463863815.db2.gz ISENPGUDUGTNPZ-MRXNPFEDSA-N 1 3 345.487 2.185 10 0 EEAEHO CN(C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000263902976 464233755 /nfs/dbraw/zinc/23/37/55/464233755.db2.gz FBVLRDPXMUGEQP-RBUKOAKNSA-N 1 3 329.488 2.451 10 0 EEAEHO CN(C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000263902976 464233762 /nfs/dbraw/zinc/23/37/62/464233762.db2.gz FBVLRDPXMUGEQP-RBUKOAKNSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000180094715 464239438 /nfs/dbraw/zinc/23/94/38/464239438.db2.gz VFFDIYARGDNEDN-HNNXBMFYSA-N 1 3 336.524 2.242 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000176252900 464732338 /nfs/dbraw/zinc/73/23/38/464732338.db2.gz QQXWVQWKWPRITC-RBUKOAKNSA-N 1 3 346.519 2.285 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000176252900 464732345 /nfs/dbraw/zinc/73/23/45/464732345.db2.gz QQXWVQWKWPRITC-RBUKOAKNSA-N 1 3 346.519 2.285 10 0 EEAEHO CN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CN2CCC1CC2 ZINC000347945246 465327348 /nfs/dbraw/zinc/32/73/48/465327348.db2.gz JOLXWOWFFFBJEN-UXHICEINSA-N 1 3 341.499 2.451 10 0 EEAEHO CN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CN2CCC1CC2 ZINC000347945246 465327354 /nfs/dbraw/zinc/32/73/54/465327354.db2.gz JOLXWOWFFFBJEN-UXHICEINSA-N 1 3 341.499 2.451 10 0 EEAEHO CN(C[C@H](O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000352082183 465472849 /nfs/dbraw/zinc/47/28/49/465472849.db2.gz IGGQTJGNWLXJTI-SQNIBIBYSA-N 1 3 337.895 2.130 10 0 EEAEHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569122811 468444773 /nfs/dbraw/zinc/44/47/73/468444773.db2.gz JOCJAOXDCADCRP-FQEVSTJZSA-N 1 3 327.472 2.498 10 0 EEAEHO Cc1nccn1CCN1CCC[C@H]([N@H+](C)CCn2ccnc2C)CC1 ZINC000346235249 466015270 /nfs/dbraw/zinc/01/52/70/466015270.db2.gz DQPUCMGZJTWYBD-IBGZPJMESA-N 1 3 344.507 2.183 10 0 EEAEHO Cc1nccn1CCN1CCC[C@H]([N@@H+](C)CCn2ccnc2C)CC1 ZINC000346235249 466015275 /nfs/dbraw/zinc/01/52/75/466015275.db2.gz DQPUCMGZJTWYBD-IBGZPJMESA-N 1 3 344.507 2.183 10 0 EEAEHO Cc1nccn1CCN(C)[C@H]1CCC[N@H+](CCn2ccnc2C)CC1 ZINC000346235249 466015279 /nfs/dbraw/zinc/01/52/79/466015279.db2.gz DQPUCMGZJTWYBD-IBGZPJMESA-N 1 3 344.507 2.183 10 0 EEAEHO Cc1nccn1CCN(C)[C@H]1CCC[N@@H+](CCn2ccnc2C)CC1 ZINC000346235249 466015282 /nfs/dbraw/zinc/01/52/82/466015282.db2.gz DQPUCMGZJTWYBD-IBGZPJMESA-N 1 3 344.507 2.183 10 0 EEAEHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1F ZINC000367603342 466442788 /nfs/dbraw/zinc/44/27/88/466442788.db2.gz ZEWCTWDNTJHZMN-CGTJXYLNSA-N 1 3 333.451 2.326 10 0 EEAEHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1F ZINC000367603342 466442791 /nfs/dbraw/zinc/44/27/91/466442791.db2.gz ZEWCTWDNTJHZMN-CGTJXYLNSA-N 1 3 333.451 2.326 10 0 EEAEHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000422916053 466686533 /nfs/dbraw/zinc/68/65/33/466686533.db2.gz ZQOXAMKTYHDVIN-UXHICEINSA-N 1 3 331.504 2.383 10 0 EEAEHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000422916053 466686539 /nfs/dbraw/zinc/68/65/39/466686539.db2.gz ZQOXAMKTYHDVIN-UXHICEINSA-N 1 3 331.504 2.383 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417200922 466800101 /nfs/dbraw/zinc/80/01/01/466800101.db2.gz VDXHCKZEIHVXNE-RTBURBONSA-N 1 3 346.519 2.366 10 0 EEAEHO CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417735603 466920927 /nfs/dbraw/zinc/92/09/27/466920927.db2.gz LKGWFLRSBMULFZ-FMKPAKJESA-N 1 3 338.521 2.414 10 0 EEAEHO CCN(C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418341938 467095144 /nfs/dbraw/zinc/09/51/44/467095144.db2.gz IBALUNKWMFXCBG-CGTJXYLNSA-N 1 3 330.476 2.215 10 0 EEAEHO C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@@H](N)c3ccccc3)C2)CC1 ZINC000418432149 467110052 /nfs/dbraw/zinc/11/00/52/467110052.db2.gz SJRPJLUWGCOFQN-QZTJIDSGSA-N 1 3 330.476 2.060 10 0 EEAEHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000418660176 467142453 /nfs/dbraw/zinc/14/24/53/467142453.db2.gz YMLKKTLPNJDNJV-AZUAARDMSA-N 1 3 344.503 2.376 10 0 EEAEHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000418660176 467142456 /nfs/dbraw/zinc/14/24/56/467142456.db2.gz YMLKKTLPNJDNJV-AZUAARDMSA-N 1 3 344.503 2.376 10 0 EEAEHO CN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388520625 467396834 /nfs/dbraw/zinc/39/68/34/467396834.db2.gz QILXAZJEXKQFIW-OALUTQOASA-N 1 3 329.488 2.499 10 0 EEAEHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000414690238 467429332 /nfs/dbraw/zinc/42/93/32/467429332.db2.gz HLYSPYIRNIBPLJ-GDBMZVCRSA-N 1 3 335.879 2.327 10 0 EEAEHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000414690238 467429333 /nfs/dbraw/zinc/42/93/33/467429333.db2.gz HLYSPYIRNIBPLJ-GDBMZVCRSA-N 1 3 335.879 2.327 10 0 EEAEHO CC1(C)C[N@H+](CCC(N)=O)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453006615 467455077 /nfs/dbraw/zinc/45/50/77/467455077.db2.gz CJMRVHXAVLHRHQ-LJQANCHMSA-N 1 3 329.488 2.484 10 0 EEAEHO CC1(C)C[N@@H+](CCC(N)=O)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453006615 467455081 /nfs/dbraw/zinc/45/50/81/467455081.db2.gz CJMRVHXAVLHRHQ-LJQANCHMSA-N 1 3 329.488 2.484 10 0 EEAEHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000420813794 467488278 /nfs/dbraw/zinc/48/82/78/467488278.db2.gz HOBVDEIOKRYBCS-KSZLIROESA-N 1 3 330.476 2.167 10 0 EEAEHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000420813794 467488281 /nfs/dbraw/zinc/48/82/81/467488281.db2.gz HOBVDEIOKRYBCS-KSZLIROESA-N 1 3 330.476 2.167 10 0 EEAEHO CO[C@]1(CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CCOC1 ZINC000449251278 467626107 /nfs/dbraw/zinc/62/61/07/467626107.db2.gz PPNCLEDEGQXXSZ-PXNSSMCTSA-N 1 3 332.488 2.477 10 0 EEAEHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458346532 467812395 /nfs/dbraw/zinc/81/23/95/467812395.db2.gz SOVGMEBBEHBFOE-ULQDDVLXSA-N 1 3 336.524 2.375 10 0 EEAEHO C[N@H+](CCNC(=O)N1CCc2ccccc2[C@H]1CN)C1CCCC1 ZINC000567821995 468216833 /nfs/dbraw/zinc/21/68/33/468216833.db2.gz UBSHFQNJZSDAAD-GOSISDBHSA-N 1 3 330.476 2.129 10 0 EEAEHO C[N@@H+](CCNC(=O)N1CCc2ccccc2[C@H]1CN)C1CCCC1 ZINC000567821995 468216836 /nfs/dbraw/zinc/21/68/36/468216836.db2.gz UBSHFQNJZSDAAD-GOSISDBHSA-N 1 3 330.476 2.129 10 0 EEAEHO O[C@H](C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)CC1CCCC1 ZINC000571910746 468857390 /nfs/dbraw/zinc/85/73/90/468857390.db2.gz WPIUUOHZSQRZDV-UXHICEINSA-N 1 3 332.488 2.284 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000572494990 468941654 /nfs/dbraw/zinc/94/16/54/468941654.db2.gz BUUJGFMAVJJTOO-ZWKOTPCHSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000572494990 468941656 /nfs/dbraw/zinc/94/16/56/468941656.db2.gz BUUJGFMAVJJTOO-ZWKOTPCHSA-N 1 3 329.488 2.451 10 0 EEAEHO CC1(C)COC[C@H]1NCc1cncc(C[NH2+][C@@H]2COCC2(C)C)c1 ZINC000572931749 469022107 /nfs/dbraw/zinc/02/21/07/469022107.db2.gz FVZFFHRRXGFZAI-IAGOWNOFSA-N 1 3 333.476 2.111 10 0 EEAEHO CN1CCC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000618553868 469386377 /nfs/dbraw/zinc/38/63/77/469386377.db2.gz PRJMTFXBDHKDMN-GOSISDBHSA-N 1 3 344.503 2.217 10 0 EEAEHO CN1CCC[C@@H](NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000618553868 469386383 /nfs/dbraw/zinc/38/63/83/469386383.db2.gz PRJMTFXBDHKDMN-GOSISDBHSA-N 1 3 344.503 2.217 10 0 EEAEHO CN(CCC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccncc1 ZINC000618666014 469418091 /nfs/dbraw/zinc/41/80/91/469418091.db2.gz SKAWBEOIZFKAML-MRXNPFEDSA-N 1 3 330.476 2.431 10 0 EEAEHO CN(CCC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccncc1 ZINC000618666014 469418094 /nfs/dbraw/zinc/41/80/94/469418094.db2.gz SKAWBEOIZFKAML-MRXNPFEDSA-N 1 3 330.476 2.431 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1cccc(C2CC2)c1 ZINC000617502132 469699718 /nfs/dbraw/zinc/69/97/18/469699718.db2.gz DDRYYBZBFSXBJJ-INIZCTEOSA-N 1 3 331.504 2.495 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1cccc(C2CC2)c1 ZINC000617502132 469699724 /nfs/dbraw/zinc/69/97/24/469699724.db2.gz DDRYYBZBFSXBJJ-INIZCTEOSA-N 1 3 331.504 2.495 10 0 EEAEHO CCSc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccn1 ZINC000617505212 469703353 /nfs/dbraw/zinc/70/33/53/469703353.db2.gz XXNPLELDDJGDBX-AWEZNQCLSA-N 1 3 338.521 2.195 10 0 EEAEHO CCSc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccn1 ZINC000617505212 469703356 /nfs/dbraw/zinc/70/33/56/469703356.db2.gz XXNPLELDDJGDBX-AWEZNQCLSA-N 1 3 338.521 2.195 10 0 EEAEHO CC[C@@H](C)n1ncc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1C ZINC000617507207 469706379 /nfs/dbraw/zinc/70/63/79/469706379.db2.gz MGUHOYRFRVXGJP-LSDHHAIUSA-N 1 3 337.512 2.164 10 0 EEAEHO CC[C@@H](C)n1ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1C ZINC000617507207 469706383 /nfs/dbraw/zinc/70/63/83/469706383.db2.gz MGUHOYRFRVXGJP-LSDHHAIUSA-N 1 3 337.512 2.164 10 0 EEAEHO Cc1nc2cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc2o1 ZINC000617507475 469706413 /nfs/dbraw/zinc/70/64/13/469706413.db2.gz YIZLEGARFKSASK-ZDUSSCGKSA-N 1 3 332.448 2.138 10 0 EEAEHO Cc1nc2cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc2o1 ZINC000617507475 469706417 /nfs/dbraw/zinc/70/64/17/469706417.db2.gz YIZLEGARFKSASK-ZDUSSCGKSA-N 1 3 332.448 2.138 10 0 EEAEHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000623717520 469744089 /nfs/dbraw/zinc/74/40/89/469744089.db2.gz DPWSMCVABIXGHQ-SOLBZPMBSA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000623717520 469744094 /nfs/dbraw/zinc/74/40/94/469744094.db2.gz DPWSMCVABIXGHQ-SOLBZPMBSA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000627050628 469802335 /nfs/dbraw/zinc/80/23/35/469802335.db2.gz OJWRFCMMRYSPAQ-DOTOQJQBSA-N 1 3 330.476 2.091 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000627158951 469828907 /nfs/dbraw/zinc/82/89/07/469828907.db2.gz IUISMRUBLICWOH-YTQUADARSA-N 1 3 344.503 2.290 10 0 EEAEHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3cn[nH]c3)CC2)c1 ZINC000624212879 469877092 /nfs/dbraw/zinc/87/70/92/469877092.db2.gz BNCBJTNFNJHENN-UHFFFAOYSA-N 1 3 327.476 2.410 10 0 EEAEHO CN(C)CCNC(=O)c1ccc(C[NH2+]C[C@]2(C)CCCS2)cc1 ZINC000628233754 470079350 /nfs/dbraw/zinc/07/93/50/470079350.db2.gz STHYHQUPDZRETO-SFHVURJKSA-N 1 3 335.517 2.353 10 0 EEAEHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(-c2ccc(OCC(N)=O)cc2)cc1 ZINC000622044838 470153553 /nfs/dbraw/zinc/15/35/53/470153553.db2.gz UTFSKLWQEVSMFB-LSDHHAIUSA-N 1 3 341.455 2.433 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)CC[N@@H+]1C ZINC000631805593 470184894 /nfs/dbraw/zinc/18/48/94/470184894.db2.gz QTKUDCKZXKDAPR-HRCADAONSA-N 1 3 331.460 2.073 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)CC[N@H+]1C ZINC000631805593 470184895 /nfs/dbraw/zinc/18/48/95/470184895.db2.gz QTKUDCKZXKDAPR-HRCADAONSA-N 1 3 331.460 2.073 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC[N@@H+]1C ZINC000633096122 470349417 /nfs/dbraw/zinc/34/94/17/470349417.db2.gz BBLUOULDZUMEBE-DSLXNQLJSA-N 1 3 329.488 2.496 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC[N@H+]1C ZINC000633096122 470349421 /nfs/dbraw/zinc/34/94/21/470349421.db2.gz BBLUOULDZUMEBE-DSLXNQLJSA-N 1 3 329.488 2.496 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)NC/C=C/C[NH3+])CCN1Cc1ccccc1 ZINC000641861591 470503837 /nfs/dbraw/zinc/50/38/37/470503837.db2.gz CGONZQHALLUYSQ-WXYTYNPNSA-N 1 3 330.476 2.196 10 0 EEAEHO C[C@H]1C[C@@H](NC(=O)NCCC2(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000652165728 471248814 /nfs/dbraw/zinc/24/88/14/471248814.db2.gz XXTHMJOJVVHZSP-WMZOPIPTSA-N 1 3 344.503 2.468 10 0 EEAEHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000641247873 471252118 /nfs/dbraw/zinc/25/21/18/471252118.db2.gz FKQGWTVNKFOXEJ-IEBWSBKVSA-N 1 3 344.503 2.210 10 0 EEAEHO CN(C(=O)[C@@H]1C[C@]12CCC[NH2+]C2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000655467010 471338891 /nfs/dbraw/zinc/33/88/91/471338891.db2.gz CBTKCPGKHOCAHR-BJLQDIEVSA-N 1 3 327.472 2.109 10 0 EEAEHO O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000653166140 471515178 /nfs/dbraw/zinc/51/51/78/471515178.db2.gz ZBKRHZADSVVBQN-VNTMZGSJSA-N 1 3 339.483 2.250 10 0 EEAEHO [NH3+]C[C@@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C(F)(F)F ZINC000655911530 471533369 /nfs/dbraw/zinc/53/33/69/471533369.db2.gz FKPTVGMMBJWODY-UONOGXRCSA-N 1 3 344.381 2.012 10 0 EEAEHO [NH3+]C[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)C(F)(F)F ZINC000655910505 471533475 /nfs/dbraw/zinc/53/34/75/471533475.db2.gz WHBRNEIXASQOAI-KGLIPLIRSA-N 1 3 344.381 2.012 10 0 EEAEHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](CN)C(F)(F)F)c1 ZINC000655912333 471534689 /nfs/dbraw/zinc/53/46/89/471534689.db2.gz TXFXJEOEDVXCHA-CQSZACIVSA-N 1 3 346.397 2.217 10 0 EEAEHO C[C@@]1(CNC(=O)NC[C@@H]2CCCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000669565840 471559991 /nfs/dbraw/zinc/55/99/91/471559991.db2.gz LETRHDAHIHQUMI-ICSRJNTNSA-N 1 3 344.503 2.482 10 0 EEAEHO C[NH+]1CCC(n2ccc(NC(=O)NC[C@@H]3CCN3C(C)(C)C)n2)CC1 ZINC000666926944 471591990 /nfs/dbraw/zinc/59/19/90/471591990.db2.gz BVILOPLWCQCVFB-HNNXBMFYSA-N 1 3 348.495 2.144 10 0 EEAEHO CC(=O)Nc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000664313578 471715295 /nfs/dbraw/zinc/71/52/95/471715295.db2.gz AIRIUWNQMSCQPT-AWEZNQCLSA-N 1 3 349.479 2.039 10 0 EEAEHO CC(=O)Nc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000664313578 471715300 /nfs/dbraw/zinc/71/53/00/471715300.db2.gz AIRIUWNQMSCQPT-AWEZNQCLSA-N 1 3 349.479 2.039 10 0 EEAEHO Fc1ccc(C[N@H+](C[C@H]2CCC3(CNC3)O2)C2CCOCC2)cc1 ZINC000662279142 472054201 /nfs/dbraw/zinc/05/42/01/472054201.db2.gz RGPWKKBMUNXOLC-GOSISDBHSA-N 1 3 334.435 2.328 10 0 EEAEHO Fc1ccc(C[N@@H+](C[C@H]2CCC3(CNC3)O2)C2CCOCC2)cc1 ZINC000662279142 472054205 /nfs/dbraw/zinc/05/42/05/472054205.db2.gz RGPWKKBMUNXOLC-GOSISDBHSA-N 1 3 334.435 2.328 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000668660942 472214330 /nfs/dbraw/zinc/21/43/30/472214330.db2.gz IINKZMAEDVUZOD-KFWWJZLASA-N 1 3 336.505 2.182 10 0 EEAEHO C[NH+](C)CCCOc1ccc(CNC(=O)C2(N)CC3(CCC3)C2)cc1 ZINC000662717597 472219729 /nfs/dbraw/zinc/21/97/29/472219729.db2.gz PUOZVIKWYAWHFI-UHFFFAOYSA-N 1 3 345.487 2.295 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC3(COC3)C2)CC1 ZINC000668720001 472237024 /nfs/dbraw/zinc/23/70/24/472237024.db2.gz HRAPNVQPZZXXAL-UHFFFAOYSA-N 1 3 329.488 2.441 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+]2CCC3(COC3)C2)CC1 ZINC000668720001 472237028 /nfs/dbraw/zinc/23/70/28/472237028.db2.gz HRAPNVQPZZXXAL-UHFFFAOYSA-N 1 3 329.488 2.441 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(F)c(F)cc1F ZINC000666003469 472272498 /nfs/dbraw/zinc/27/24/98/472272498.db2.gz HIPBERWCIBKGDB-NSHDSACASA-N 1 3 346.397 2.497 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(F)c(F)cc1F ZINC000666003469 472272505 /nfs/dbraw/zinc/27/25/05/472272505.db2.gz HIPBERWCIBKGDB-NSHDSACASA-N 1 3 346.397 2.497 10 0 EEAEHO CCCN1CCC([NH2+][C@H](C)Cn2ncc3ccccc3c2=O)CC1 ZINC000678773859 485497623 /nfs/dbraw/zinc/49/76/23/485497623.db2.gz BTZVGXZAGGTLLQ-OAHLLOKOSA-N 1 3 328.460 2.249 10 0 EEAEHO C[C@@H]1C[C@H](N[C@]2(CO)CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000679042433 485573146 /nfs/dbraw/zinc/57/31/46/485573146.db2.gz BNGOKTZMYITGOK-MISYRCLQSA-N 1 3 331.504 2.086 10 0 EEAEHO C[C@@H]1C[C@H](N[C@]2(CO)CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000679042433 485573149 /nfs/dbraw/zinc/57/31/49/485573149.db2.gz BNGOKTZMYITGOK-MISYRCLQSA-N 1 3 331.504 2.086 10 0 EEAEHO CCN(Cc1ccccc1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665637004 485611779 /nfs/dbraw/zinc/61/17/79/485611779.db2.gz QITJHZFYGRUTIY-KRWDZBQOSA-N 1 3 334.508 2.490 10 0 EEAEHO CCN(Cc1ccccc1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665637004 485611785 /nfs/dbraw/zinc/61/17/85/485611785.db2.gz QITJHZFYGRUTIY-KRWDZBQOSA-N 1 3 334.508 2.490 10 0 EEAEHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000675180182 485920823 /nfs/dbraw/zinc/92/08/23/485920823.db2.gz DVYTYQJEJZBBLO-OALUTQOASA-N 1 3 346.519 2.333 10 0 EEAEHO CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000680502180 485987385 /nfs/dbraw/zinc/98/73/85/485987385.db2.gz NKHTZSYAMDXBSU-IBGZPJMESA-N 1 3 346.519 2.492 10 0 EEAEHO Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)CCCO2 ZINC000128072156 490667767 /nfs/dbraw/zinc/66/77/67/490667767.db2.gz RJFYPWGTFOXWFW-WMZOPIPTSA-N 1 3 345.487 2.386 10 0 EEAEHO CC[NH2+]Cc1ccccc1NC(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000415910836 528354091 /nfs/dbraw/zinc/35/40/91/528354091.db2.gz CGVIXHVSGCYHIQ-HOTGVXAUSA-N 1 3 336.505 2.305 10 0 EEAEHO CN1CC[C@H](NC(=S)NCC(C)(C)C[NH+](C)C)[C@@H]1c1ccccc1 ZINC000758263208 577620446 /nfs/dbraw/zinc/62/04/46/577620446.db2.gz UJTXQJVOFAXGOZ-IRXDYDNUSA-N 1 3 348.560 2.484 10 0 EEAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@H]3CCO[C@]34CCOC4)C2)cc1 ZINC000903088705 694198168 /nfs/dbraw/zinc/19/81/68/694198168.db2.gz LZHVDRYBVRKJSN-AABGKKOBSA-N 1 3 330.472 2.089 10 0 EEAEHO COc1ccccc1C[C@@H](C)N(C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903890280 694254927 /nfs/dbraw/zinc/25/49/27/694254927.db2.gz BADPOLSQINOTHT-WBVHZDCISA-N 1 3 344.503 2.418 10 0 EEAEHO COc1ccccc1C[C@@H](C)[N@H+](C)C[C@H](CN)Cc1cnn(C)c1C ZINC000903890280 694254932 /nfs/dbraw/zinc/25/49/32/694254932.db2.gz BADPOLSQINOTHT-WBVHZDCISA-N 1 3 344.503 2.418 10 0 EEAEHO COc1ccccc1C[C@@H](C)[N@@H+](C)C[C@H](CN)Cc1cnn(C)c1C ZINC000903890280 694254935 /nfs/dbraw/zinc/25/49/35/694254935.db2.gz BADPOLSQINOTHT-WBVHZDCISA-N 1 3 344.503 2.418 10 0 EEAEHO CCO[C@H](CN[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C)C[NH+](C)C ZINC000926957992 693042574 /nfs/dbraw/zinc/04/25/74/693042574.db2.gz DIOZIBMWJHCNMR-XHSDSOJGSA-N 1 3 343.512 2.188 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCCN(C)Cc2cccc(COC)c2)CC[N@@H+]1C ZINC001480865752 1176139081 /nfs/dbraw/zinc/13/90/81/1176139081.db2.gz MOCUOFMUILTTLX-RBUKOAKNSA-N 1 3 347.503 2.111 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCCN(C)Cc2cccc(COC)c2)CC[N@H+]1C ZINC001480865752 1176139086 /nfs/dbraw/zinc/13/90/86/1176139086.db2.gz MOCUOFMUILTTLX-RBUKOAKNSA-N 1 3 347.503 2.111 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCOc2ccccc2C)C1)N(C)C ZINC001266534573 1176773810 /nfs/dbraw/zinc/77/38/10/1176773810.db2.gz LIZTUYFCXYDUPZ-ZWKOTPCHSA-N 1 3 347.503 2.295 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001266725645 1177311517 /nfs/dbraw/zinc/31/15/17/1177311517.db2.gz OLCWTBDUCYNJFD-SCTDSRPQSA-N 1 3 347.503 2.197 10 0 EEAEHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CCCCCF)CC2)C1 ZINC001267928548 1180776971 /nfs/dbraw/zinc/77/69/71/1180776971.db2.gz BKXITCVNUTYVFH-ULQDDVLXSA-N 1 3 327.488 2.485 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)CCc3cccs3)C2)C1 ZINC001481497091 1181566716 /nfs/dbraw/zinc/56/67/16/1181566716.db2.gz HWWXPTYIZFXNBN-IRXDYDNUSA-N 1 3 349.544 2.413 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)CCc3cccs3)C2)C1 ZINC001481497091 1181566722 /nfs/dbraw/zinc/56/67/22/1181566722.db2.gz HWWXPTYIZFXNBN-IRXDYDNUSA-N 1 3 349.544 2.413 10 0 EEAEHO Cc1nc(CNCC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(C)s1 ZINC001268392449 1182457286 /nfs/dbraw/zinc/45/72/86/1182457286.db2.gz GHJUHXOSLROSRN-GFCCVEGCSA-N 1 3 338.521 2.086 10 0 EEAEHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1cc(C)ccc1OC ZINC001481867138 1182838536 /nfs/dbraw/zinc/83/85/36/1182838536.db2.gz AZJNEGLXTQUANH-KRWDZBQOSA-N 1 3 345.487 2.084 10 0 EEAEHO CC[C@@H](F)CNCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001482031706 1183171939 /nfs/dbraw/zinc/17/19/39/1183171939.db2.gz XLCROLCULYEFPL-ZTFGCOKTSA-N 1 3 335.467 2.481 10 0 EEAEHO CC[C@@H](F)CNCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001482031706 1183171944 /nfs/dbraw/zinc/17/19/44/1183171944.db2.gz XLCROLCULYEFPL-ZTFGCOKTSA-N 1 3 335.467 2.481 10 0 EEAEHO Cc1csc(CNC[C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)n1 ZINC001482131045 1183378905 /nfs/dbraw/zinc/37/89/05/1183378905.db2.gz SPYFNLIFQCYPFK-CYBMUJFWSA-N 1 3 338.521 2.168 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C/C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001268625743 1183549075 /nfs/dbraw/zinc/54/90/75/1183549075.db2.gz SCXVXCNHEXAIRZ-YLSAJCSVSA-N 1 3 329.435 2.170 10 0 EEAEHO Cc1ccccc1OCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001268688785 1183612970 /nfs/dbraw/zinc/61/29/70/1183612970.db2.gz LVVFJFSBOQPXRW-ZWKOTPCHSA-N 1 3 347.503 2.341 10 0 EEAEHO C[C@@H](CNCc1ccc(Cl)nc1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268690646 1183614105 /nfs/dbraw/zinc/61/41/05/1183614105.db2.gz SKNBNWYGHORCPX-ZFWWWQNUSA-N 1 3 338.883 2.204 10 0 EEAEHO C[C@@H](CNCc1ccc(Cl)nc1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001268690646 1183614110 /nfs/dbraw/zinc/61/41/10/1183614110.db2.gz SKNBNWYGHORCPX-ZFWWWQNUSA-N 1 3 338.883 2.204 10 0 EEAEHO CN(CCC[NH2+]CCc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN1C ZINC001268784152 1183701749 /nfs/dbraw/zinc/70/17/49/1183701749.db2.gz RULLPDLWBXGCGF-KRWDZBQOSA-N 1 3 337.895 2.415 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]CCC[C@H]2CCOC2)CCCC1 ZINC001269588539 1184413912 /nfs/dbraw/zinc/41/39/12/1184413912.db2.gz RJOYKRDPURSUIO-INIZCTEOSA-N 1 3 348.491 2.096 10 0 EEAEHO CCCN(C)CC(=O)NCC1([NH2+]C[C@H]2CCO[C@@H](C)C2)CCCC1 ZINC001482236830 1184496624 /nfs/dbraw/zinc/49/66/24/1184496624.db2.gz OZYSWHVPSHJMNC-IRXDYDNUSA-N 1 3 339.524 2.162 10 0 EEAEHO C[C@@H](O)CCC[NH2+][C@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001270024925 1184795447 /nfs/dbraw/zinc/79/54/47/1184795447.db2.gz PLXSQIXGNYXARB-BRWVUGGUSA-N 1 3 341.540 2.142 10 0 EEAEHO C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001482330861 1185414999 /nfs/dbraw/zinc/41/49/99/1185414999.db2.gz MUMRMBJDOUOZAN-KGLIPLIRSA-N 1 3 338.883 2.013 10 0 EEAEHO Cc1cc(CNCC[C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)on1 ZINC001482457083 1185891198 /nfs/dbraw/zinc/89/11/98/1185891198.db2.gz WIJRCWZPGXFAJA-QGZVFWFLSA-N 1 3 348.491 2.186 10 0 EEAEHO COCC[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001482462184 1185930884 /nfs/dbraw/zinc/93/08/84/1185930884.db2.gz RXICZLNRTZEXSE-LJQANCHMSA-N 1 3 347.503 2.369 10 0 EEAEHO C[C@H]([NH2+]CCCF)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001482479876 1186056087 /nfs/dbraw/zinc/05/60/87/1186056087.db2.gz KXLCEYVBVTXGGH-DLBZAZTESA-N 1 3 327.488 2.295 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCOC1CCC1 ZINC001271495914 1186275986 /nfs/dbraw/zinc/27/59/86/1186275986.db2.gz ZQPSOOTYVNHZDJ-WMZOPIPTSA-N 1 3 337.508 2.011 10 0 EEAEHO Cc1ccccc1C[NH+]1CC([C@@H](C)NC(=O)CN2CC[C@H](C)C2)C1 ZINC001409938842 1193484198 /nfs/dbraw/zinc/48/41/98/1193484198.db2.gz XUHMXWPVVVNGQK-DOTOQJQBSA-N 1 3 329.488 2.273 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001691533830 1187520145 /nfs/dbraw/zinc/52/01/45/1187520145.db2.gz IFSDQCKMPHHULS-SHTZXODSSA-N 1 3 338.883 2.061 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCc1ccccc1 ZINC001483099268 1188475539 /nfs/dbraw/zinc/47/55/39/1188475539.db2.gz WYJIAEVJQVXDDY-QULHZPMSSA-N 1 3 329.488 2.366 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)CN(C)C1CCC1 ZINC001272829484 1193567376 /nfs/dbraw/zinc/56/73/76/1193567376.db2.gz KFWLWRVPSMZQCI-ZDUSSCGKSA-N 1 3 338.883 2.204 10 0 EEAEHO Cc1ccc(OCC[NH2+]C[C@H](C)NC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001483226595 1189469745 /nfs/dbraw/zinc/46/97/45/1189469745.db2.gz BBNPUALNXBIPJN-PKOBYXMFSA-N 1 3 347.503 2.341 10 0 EEAEHO Cc1nn(C(C)C)cc1CNC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001483227207 1189505767 /nfs/dbraw/zinc/50/57/67/1189505767.db2.gz XBKJDWCSNPLIMS-YJBOKZPZSA-N 1 3 349.523 2.240 10 0 EEAEHO Cc1nn(C(C)C)cc1CNC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001483227207 1189505771 /nfs/dbraw/zinc/50/57/71/1189505771.db2.gz XBKJDWCSNPLIMS-YJBOKZPZSA-N 1 3 349.523 2.240 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001483285965 1190308129 /nfs/dbraw/zinc/30/81/29/1190308129.db2.gz NWVVZAUJDRNOOI-DLBZAZTESA-N 1 3 331.504 2.228 10 0 EEAEHO COc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)c1C ZINC001486095495 1193679718 /nfs/dbraw/zinc/67/97/18/1193679718.db2.gz JLWJLYXEVYSFGY-SJLPKXTDSA-N 1 3 347.503 2.423 10 0 EEAEHO CN(CCC[NH2+]Cc1cccc2cccnc21)C(=O)Cc1c[nH]cn1 ZINC001483494384 1190511453 /nfs/dbraw/zinc/51/14/53/1190511453.db2.gz GCHVZQFIVVQWLM-UHFFFAOYSA-N 1 3 337.427 2.139 10 0 EEAEHO C[NH+](C)CCC(=O)NCC1(N[C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC001483763564 1190995479 /nfs/dbraw/zinc/99/54/79/1190995479.db2.gz KKEFPPDADIGNIQ-MRXNPFEDSA-N 1 3 337.414 2.142 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1CC[C@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001483847994 1191083492 /nfs/dbraw/zinc/08/34/92/1191083492.db2.gz QFLRFCQIPUQNIW-AEFFLSMTSA-N 1 3 327.488 2.391 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1CC[C@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001483847994 1191083495 /nfs/dbraw/zinc/08/34/95/1191083495.db2.gz QFLRFCQIPUQNIW-AEFFLSMTSA-N 1 3 327.488 2.391 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2cc(C)ns2)C1 ZINC001484122471 1191222132 /nfs/dbraw/zinc/22/21/32/1191222132.db2.gz GHOZLTRAVLGLNJ-KRWDZBQOSA-N 1 3 338.521 2.122 10 0 EEAEHO C[C@@H](NCc1c(F)cccc1F)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484348439 1191313325 /nfs/dbraw/zinc/31/33/25/1191313325.db2.gz UYIBYNYRSATIHP-ZIAGYGMSSA-N 1 3 339.430 2.243 10 0 EEAEHO COCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001484772666 1191515183 /nfs/dbraw/zinc/51/51/83/1191515183.db2.gz YRYXWVRRMLXUAP-SJLPKXTDSA-N 1 3 348.491 2.082 10 0 EEAEHO COCCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001484772666 1191515184 /nfs/dbraw/zinc/51/51/84/1191515184.db2.gz YRYXWVRRMLXUAP-SJLPKXTDSA-N 1 3 348.491 2.082 10 0 EEAEHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1NCc1ccccc1F ZINC001484905055 1191569767 /nfs/dbraw/zinc/56/97/67/1191569767.db2.gz MYMKKHUGSIFPHP-QAPCUYQASA-N 1 3 335.467 2.494 10 0 EEAEHO CCc1nocc1CNC1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001486466435 1193981327 /nfs/dbraw/zinc/98/13/27/1193981327.db2.gz JLLUOYBKSODLHG-CGZBRXJRSA-N 1 3 348.491 2.190 10 0 EEAEHO CCc1nocc1CNC1CC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001486466435 1193981332 /nfs/dbraw/zinc/98/13/32/1193981332.db2.gz JLLUOYBKSODLHG-CGZBRXJRSA-N 1 3 348.491 2.190 10 0 EEAEHO Cc1nsc(C)c1C[NH2+]CC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001273018596 1194325692 /nfs/dbraw/zinc/32/56/92/1194325692.db2.gz MUNKYSWEURYSRF-QWHCGFSZSA-N 1 3 338.521 2.086 10 0 EEAEHO Cc1cnc(CNCC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC001273052297 1194357307 /nfs/dbraw/zinc/35/73/07/1194357307.db2.gz KJMBZOSJBVKJSC-YJBOKZPZSA-N 1 3 347.507 2.032 10 0 EEAEHO Cc1cnc(CNCC[C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cn1 ZINC001273052297 1194357310 /nfs/dbraw/zinc/35/73/10/1194357310.db2.gz KJMBZOSJBVKJSC-YJBOKZPZSA-N 1 3 347.507 2.032 10 0 EEAEHO COCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001410378074 1197771910 /nfs/dbraw/zinc/77/19/10/1197771910.db2.gz GKFCXDPMOQGUGP-MRXNPFEDSA-N 1 3 347.503 2.254 10 0 EEAEHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001410441919 1197904468 /nfs/dbraw/zinc/90/44/68/1197904468.db2.gz CHHRQMJFKHOFPN-STQMWFEESA-N 1 3 328.407 2.214 10 0 EEAEHO [NH3+][C@H](C[C@@H]1CCCN(CC2CCS(=O)(=O)CC2)C1)C1CCCC1 ZINC000872158508 1198064216 /nfs/dbraw/zinc/06/42/16/1198064216.db2.gz VZGTULVEEXLQFW-FUHWJXTLSA-N 1 3 342.549 2.431 10 0 EEAEHO C[C@@](O)(C[C@@H](O)CNC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000872208003 1198086569 /nfs/dbraw/zinc/08/65/69/1198086569.db2.gz MKHNUOVSCDPADN-NJDAHSKKSA-N 1 3 346.515 2.400 10 0 EEAEHO C[C@@](O)(C[C@@H](O)CNC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000872208003 1198086577 /nfs/dbraw/zinc/08/65/77/1198086577.db2.gz MKHNUOVSCDPADN-NJDAHSKKSA-N 1 3 346.515 2.400 10 0 EEAEHO Cc1ccncc1CN1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001410905366 1198561955 /nfs/dbraw/zinc/56/19/55/1198561955.db2.gz PKNXBZAVASHTQD-QUCCMNQESA-N 1 3 344.503 2.345 10 0 EEAEHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000866115692 1201437305 /nfs/dbraw/zinc/43/73/05/1201437305.db2.gz VCMZJWKEPNIZKW-OWSLCNJRSA-N 1 3 333.520 2.345 10 0 EEAEHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC000866711021 1201587061 /nfs/dbraw/zinc/58/70/61/1201587061.db2.gz ZUVWGBRBXYDTJB-CEXWTWQISA-N 1 3 337.423 2.207 10 0 EEAEHO CC(C)[C@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)N(C)C ZINC000882391790 1201864857 /nfs/dbraw/zinc/86/48/57/1201864857.db2.gz GAPQSOVJDWYKKW-RBUKOAKNSA-N 1 3 344.503 2.496 10 0 EEAEHO CC(C)[C@H](C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)N(C)C ZINC000882391790 1201864859 /nfs/dbraw/zinc/86/48/59/1201864859.db2.gz GAPQSOVJDWYKKW-RBUKOAKNSA-N 1 3 344.503 2.496 10 0 EEAEHO c1cc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c2c(c1)COCC2 ZINC000883014203 1201996205 /nfs/dbraw/zinc/99/62/05/1201996205.db2.gz LFVXZEMZGFPLPI-MRXNPFEDSA-N 1 3 330.472 2.350 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC/C=C\C[NH2+]CCc2ccccc2Cl)C1 ZINC001274367999 1205011388 /nfs/dbraw/zinc/01/13/88/1205011388.db2.gz ILHJOTCAVZUACE-AWFCHZOYSA-N 1 3 349.906 2.486 10 0 EEAEHO C[C@@H]([NH2+]C/C=C\CNC(=O)CN1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC001274368342 1205011736 /nfs/dbraw/zinc/01/17/36/1205011736.db2.gz LGZUTJHQDWDQDA-JGPFYOFESA-N 1 3 333.451 2.491 10 0 EEAEHO COc1cc(C)ccc1[C@@H](C)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851537 1206160878 /nfs/dbraw/zinc/16/08/78/1206160878.db2.gz FZFXXKAWEYXZCM-HUUCEWRRSA-N 1 3 332.444 2.340 10 0 EEAEHO Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CCN2CCN(C)C(C)(C)C2)n(C)n1 ZINC000926358140 1206215507 /nfs/dbraw/zinc/21/55/07/1206215507.db2.gz VHBSOUBANWJKOJ-IEBWSBKVSA-N 1 3 347.551 2.055 10 0 EEAEHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000926543119 1206226665 /nfs/dbraw/zinc/22/66/65/1206226665.db2.gz PZDOZUGLWPFWOG-ROELVQCISA-N 1 3 332.492 2.310 10 0 EEAEHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000926725243 1206240091 /nfs/dbraw/zinc/24/00/91/1206240091.db2.gz RSEASXMQUYBFBY-VHWMCMCTSA-N 1 3 335.492 2.316 10 0 EEAEHO C[N@@H+]1CCC[C@]2(CCN(C[C@@H](O)CC[C@@H](O)c3ccccc3)C2)C1 ZINC000930575985 1206567957 /nfs/dbraw/zinc/56/79/57/1206567957.db2.gz GFDRMVUOJKRAEO-ZCNNSNEGSA-N 1 3 332.488 2.279 10 0 EEAEHO C[N@H+]1CCC[C@]2(CCN(C[C@@H](O)CC[C@@H](O)c3ccccc3)C2)C1 ZINC000930575985 1206567958 /nfs/dbraw/zinc/56/79/58/1206567958.db2.gz GFDRMVUOJKRAEO-ZCNNSNEGSA-N 1 3 332.488 2.279 10 0 EEAEHO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900579225 1234512216 /nfs/dbraw/zinc/51/22/16/1234512216.db2.gz PBERNACSPSERRW-KRWDZBQOSA-N 1 3 344.459 2.131 10 0 EEAEHO COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900579225 1234512219 /nfs/dbraw/zinc/51/22/19/1234512219.db2.gz PBERNACSPSERRW-KRWDZBQOSA-N 1 3 344.459 2.131 10 0 EEAEHO C[C@]1([C@H]2CCC[N@H+](Cc3cc4c(s3)CCNC4)C2)COC(=O)N1 ZINC000903986441 1242879042 /nfs/dbraw/zinc/87/90/42/1242879042.db2.gz JQZSELOOPMERDU-SUMWQHHRSA-N 1 3 335.473 2.104 10 0 EEAEHO C[C@]1([C@H]2CCC[N@@H+](Cc3cc4c(s3)CCNC4)C2)COC(=O)N1 ZINC000903986441 1242879052 /nfs/dbraw/zinc/87/90/52/1242879052.db2.gz JQZSELOOPMERDU-SUMWQHHRSA-N 1 3 335.473 2.104 10 0 EEAEHO CN(CCC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)CN1CCCC1 ZINC001276386428 1255462161 /nfs/dbraw/zinc/46/21/61/1255462161.db2.gz AOCPEMPAKLYQHS-OAHLLOKOSA-N 1 3 331.451 2.346 10 0 EEAEHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1)N1CCCCC1 ZINC001491019075 1258575209 /nfs/dbraw/zinc/57/52/09/1258575209.db2.gz ORMVNBBDDRQJAY-BETUJISGSA-N 1 3 335.414 2.440 10 0 EEAEHO COc1ccc(F)cc1C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001491025385 1258583558 /nfs/dbraw/zinc/58/35/58/1258583558.db2.gz FVCCABGROCTYFH-IYBDPMFKSA-N 1 3 349.450 2.055 10 0 EEAEHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)sn1 ZINC001491025748 1258584685 /nfs/dbraw/zinc/58/46/85/1258584685.db2.gz DLDUWVSQOWSMCQ-ZNMIVQPWSA-N 1 3 336.505 2.063 10 0 EEAEHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)sn1 ZINC001491025748 1258584691 /nfs/dbraw/zinc/58/46/91/1258584691.db2.gz DLDUWVSQOWSMCQ-ZNMIVQPWSA-N 1 3 336.505 2.063 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1)N(C)C ZINC001491052300 1258614958 /nfs/dbraw/zinc/61/49/58/1258614958.db2.gz KOEIEQDLHVCBRO-JKIFEVAISA-N 1 3 339.430 2.288 10 0 EEAEHO COCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001491121942 1258707316 /nfs/dbraw/zinc/70/73/16/1258707316.db2.gz CUSNIKKUHITXBZ-MSOLQXFVSA-N 1 3 339.524 2.116 10 0 EEAEHO COCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001491121942 1258707317 /nfs/dbraw/zinc/70/73/17/1258707317.db2.gz CUSNIKKUHITXBZ-MSOLQXFVSA-N 1 3 339.524 2.116 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Cc1ccccn1 ZINC001490343301 1291158075 /nfs/dbraw/zinc/15/80/75/1291158075.db2.gz DICGMKLUTIXLHX-IRXDYDNUSA-N 1 3 332.492 2.140 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1ccccn1 ZINC001490343301 1291158081 /nfs/dbraw/zinc/15/80/81/1291158081.db2.gz DICGMKLUTIXLHX-IRXDYDNUSA-N 1 3 332.492 2.140 10 0 EEAEHO O=C(CC[NH+]1CCCCC1)NC[C@@H](NCc1cncc(F)c1)C1CC1 ZINC001490740816 1291654518 /nfs/dbraw/zinc/65/45/18/1291654518.db2.gz GVSSUWAYPDNOSJ-GOSISDBHSA-N 1 3 348.466 2.081 10 0 EEAEHO CC(C)(CNC(=O)C=C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000852859678 1292218537 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CC(C)[C@H](C(=O)N[C@H]1C[C@H](NCc2cccc(Cl)n2)C1)[NH+](C)C ZINC001265503523 1323186192 /nfs/dbraw/zinc/18/61/92/1323186192.db2.gz XPSZIRXXIZWEEF-IIAWOOMASA-N 1 3 338.883 2.058 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cncc(C)c2)C1)N(C)C ZINC001280198737 1324110492 /nfs/dbraw/zinc/11/04/92/1324110492.db2.gz WLKBJFLXSWYCCP-AEFFLSMTSA-N 1 3 332.492 2.058 10 0 EEAEHO CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001280758481 1324485299 /nfs/dbraw/zinc/48/52/99/1324485299.db2.gz AMUYYXUNDYDZDJ-ROUUACIJSA-N 1 3 339.524 2.258 10 0 EEAEHO CCOCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001280758481 1324485302 /nfs/dbraw/zinc/48/53/02/1324485302.db2.gz AMUYYXUNDYDZDJ-ROUUACIJSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@@H](CCC[NH2+][C@@H](C)c1cnccn1)NC(=O)CN1CCC(C)CC1 ZINC001283260435 1325976811 /nfs/dbraw/zinc/97/68/11/1325976811.db2.gz NCGFZFJPRQHXCC-IRXDYDNUSA-N 1 3 347.507 2.144 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)NCc1ccnc(Cl)c1)[NH+](C)C ZINC001283704818 1326210751 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CCCCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CCO1 ZINC001327034614 1334208285 /nfs/dbraw/zinc/20/82/85/1334208285.db2.gz MIMKANGWYVWCRX-MSOLQXFVSA-N 1 3 339.524 2.258 10 0 EEAEHO CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCCC2CCCC2)C1)N(C)C ZINC001327033850 1334208294 /nfs/dbraw/zinc/20/82/94/1334208294.db2.gz FAWQOTRBWNYXNF-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]C/C=C\Cl)C1 ZINC001328928113 1334549547 /nfs/dbraw/zinc/54/95/47/1334549547.db2.gz NGKINZPTIYFREA-TWYDFYSASA-N 1 3 327.900 2.486 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCNCc2ocnc2C)CC[N@@H+]1C ZINC001330824174 1334910219 /nfs/dbraw/zinc/91/02/19/1334910219.db2.gz XLDKVSBYMOWGPJ-CWRNSKLLSA-N 1 3 336.480 2.088 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCNCc2ocnc2C)CC[N@H+]1C ZINC001330824174 1334910221 /nfs/dbraw/zinc/91/02/21/1334910221.db2.gz XLDKVSBYMOWGPJ-CWRNSKLLSA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1noc(C)c1CNCCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001330911377 1334925148 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340.471 2.378 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]CCCc2cccc(F)c2)C1 ZINC001662691804 1354826957 /nfs/dbraw/zinc/82/69/57/1354826957.db2.gz YBLIGXLFIJFLFE-INIZCTEOSA-N 1 3 344.434 2.162 10 0 EEAEHO CC(C)n1ccc(CNCC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)n1 ZINC001668233967 1355905118 /nfs/dbraw/zinc/90/51/18/1355905118.db2.gz ABIFQECBVSFWPJ-INIZCTEOSA-N 1 3 349.523 2.180 10 0 EEAEHO Cc1cccc(C)c1OCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCN1C ZINC001668977208 1356059385 /nfs/dbraw/zinc/05/93/85/1356059385.db2.gz DWUQEVWSBZNFKM-SHCNBLLESA-N 1 3 345.487 2.038 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC/C=C\C[NH2+]CC2CCC(F)(F)CC2)C1 ZINC001669039252 1356073924 /nfs/dbraw/zinc/07/39/24/1356073924.db2.gz LHMHINSQBNMGLZ-MPNWYJEXSA-N 1 3 343.462 2.416 10 0 EEAEHO COc1cccc(C[NH2+]CCCN(C)C(=O)CN2CC[C@H](C)C2)c1C ZINC001670245915 1356302850 /nfs/dbraw/zinc/30/28/50/1356302850.db2.gz JGNRNEHZIHCKFG-INIZCTEOSA-N 1 3 347.503 2.284 10 0 EEAEHO CN(CCC[NH2+]Cc1ccc2ncccc2c1)C(=O)Cc1c[nH]cn1 ZINC001670261178 1356306748 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CC(C)OCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N(C)C ZINC001440197190 1093267444 /nfs/dbraw/zinc/26/74/44/1093267444.db2.gz WTWDIXIKDIIQDE-OKZBNKHCSA-N 1 3 339.524 2.063 10 0 EEAEHO C[C@H](F)CCN1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)C ZINC001440538802 1093804368 /nfs/dbraw/zinc/80/43/68/1093804368.db2.gz OQXSUIOZDCLFLT-YJBOKZPZSA-N 1 3 335.467 2.229 10 0 EEAEHO CCCN(C)CC(=O)N1CCOC2(CC[NH+](C[C@H](C)CC)CC2)C1 ZINC001440690226 1093942601 /nfs/dbraw/zinc/94/26/01/1093942601.db2.gz RRQWEXGSLTUXMQ-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1c(C)nsc1C ZINC001440844727 1094102634 /nfs/dbraw/zinc/10/26/34/1094102634.db2.gz DOUQHGWFKVLKLF-NEPJUHHUSA-N 1 3 326.510 2.085 10 0 EEAEHO CC(C)n1ccc(CNC2CCC(N(C)C(=O)CC[NH+](C)C)CC2)n1 ZINC001440859179 1094120084 /nfs/dbraw/zinc/12/00/84/1094120084.db2.gz NDMRKFCRTNOMMX-UHFFFAOYSA-N 1 3 349.523 2.275 10 0 EEAEHO Cc1cccc(CN(C)[C@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001440924094 1094177549 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341.540 2.264 10 0 EEAEHO C[C@H](CN(C)[C@H](C)c1ccc(F)c(F)c1)NC(=O)CC[NH+](C)C ZINC001498374198 1107412816 /nfs/dbraw/zinc/41/28/16/1107412816.db2.gz CUEGGRVJAAINSE-CHWSQXEVSA-N 1 3 327.419 2.414 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC)C[C@H]1CC(C)(C)CO1 ZINC001493062771 1107423252 /nfs/dbraw/zinc/42/32/52/1107423252.db2.gz QTPXIKGYEAYTKH-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC)C[C@H]1CC(C)(C)CO1 ZINC001493062771 1107423260 /nfs/dbraw/zinc/42/32/60/1107423260.db2.gz QTPXIKGYEAYTKH-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO COc1ccc(CN(C)C[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001498424259 1107495210 /nfs/dbraw/zinc/49/52/10/1107495210.db2.gz DBKNERBNYFNHBI-MRXNPFEDSA-N 1 3 345.487 2.036 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H](C[NH2+]CCC2CC2)C2CC2)C1 ZINC001498822828 1108169610 /nfs/dbraw/zinc/16/96/10/1108169610.db2.gz SJVREHGANXZNOX-QFBILLFUSA-N 1 3 339.499 2.483 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCNCc2scnc2C)C1 ZINC001493666970 1108478544 /nfs/dbraw/zinc/47/85/44/1108478544.db2.gz JUXYPIOXEIWEOD-OAHLLOKOSA-N 1 3 338.521 2.122 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCNCc2scnc2C)C1 ZINC001493666970 1108478551 /nfs/dbraw/zinc/47/85/51/1108478551.db2.gz JUXYPIOXEIWEOD-OAHLLOKOSA-N 1 3 338.521 2.122 10 0 EEAEHO O=C(CCC[NH+]1CCCC1)NC[C@H]1CCN1CC[C@@H]1CCCCO1 ZINC001499128244 1112138805 /nfs/dbraw/zinc/13/88/05/1112138805.db2.gz UZOZXFFUQFKSMO-MSOLQXFVSA-N 1 3 337.508 2.012 10 0 EEAEHO C[C@H]1C[C@H]([NH2+]CCOC2CCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001499837218 1112505670 /nfs/dbraw/zinc/50/56/70/1112505670.db2.gz ZMMMFJHNMFMCPQ-JKSUJKDBSA-N 1 3 337.508 2.009 10 0 EEAEHO Cc1ncc(CN[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H](C)C2)o1 ZINC001499857649 1112516911 /nfs/dbraw/zinc/51/69/11/1112516911.db2.gz LWQYMULHTWZADM-RDJZCZTQSA-N 1 3 348.491 2.328 10 0 EEAEHO O=C(CC[NH+]1CCCCC1)NC[C@@H]1CN(CCCF)CCC1(F)F ZINC001500620771 1112982319 /nfs/dbraw/zinc/98/23/19/1112982319.db2.gz OZYXBEQDSSRNIN-OAHLLOKOSA-N 1 3 349.441 2.295 10 0 EEAEHO CN(CCCN(C)C(=O)C12CCC[NH+](CCC1)C2)Cc1ccccn1 ZINC001502345265 1113637137 /nfs/dbraw/zinc/63/71/37/1113637137.db2.gz AXWWGSFLAKZOFR-UHFFFAOYSA-N 1 3 344.503 2.238 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CCc1ccccc1 ZINC001505465315 1114000266 /nfs/dbraw/zinc/00/02/66/1114000266.db2.gz HJWLWKGSUDMVIP-LJQANCHMSA-N 1 3 331.504 2.492 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCc1ccccc1 ZINC001505465315 1114000270 /nfs/dbraw/zinc/00/02/70/1114000270.db2.gz HJWLWKGSUDMVIP-LJQANCHMSA-N 1 3 331.504 2.492 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2CN(CC=C(Cl)Cl)C[C@@H]2C1 ZINC001506851210 1114913745 /nfs/dbraw/zinc/91/37/45/1114913745.db2.gz CRQMOLFWAGOBPD-HZSPNIEDSA-N 1 3 348.318 2.474 10 0 EEAEHO Cc1cc(CN[C@@H](C)CN(C)C(=O)C23CCC[NH+]2CCC3)sn1 ZINC001507095825 1115105733 /nfs/dbraw/zinc/10/57/33/1115105733.db2.gz JKBMOAXURGJAQP-AWEZNQCLSA-N 1 3 336.505 2.016 10 0 EEAEHO CC(C)COCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001507326988 1115194218 /nfs/dbraw/zinc/19/42/18/1115194218.db2.gz OFBKODRRBYFSRB-SJORKVTESA-N 1 3 341.540 2.216 10 0 EEAEHO Cc1ncccc1C[NH+]1CCC([C@@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001508067913 1115409888 /nfs/dbraw/zinc/40/98/88/1115409888.db2.gz KFURKTYFYBGOQD-QGZVFWFLSA-N 1 3 346.519 2.447 10 0 EEAEHO CC[C@H](F)C[NH+]1CCC(C2(NC(=O)CN(C)C(C)C)CC2)CC1 ZINC001508162681 1115431581 /nfs/dbraw/zinc/43/15/81/1115431581.db2.gz OZVGSLSLNZYSMT-INIZCTEOSA-N 1 3 327.488 2.436 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001567976534 1124214436 /nfs/dbraw/zinc/21/44/36/1124214436.db2.gz FLJKWKDVSBMPDG-GDBMZVCRSA-N 1 3 340.899 2.306 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCCF)C1 ZINC001568076847 1124282116 /nfs/dbraw/zinc/28/21/16/1124282116.db2.gz SHHYHUCEFVGYGZ-SJORKVTESA-N 1 3 327.488 2.439 10 0 EEAEHO Cc1cc(CN[C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]2C)on1 ZINC001568368955 1124441258 /nfs/dbraw/zinc/44/12/58/1124441258.db2.gz HRXHZQKNYSPMSQ-PBHICJAKSA-N 1 3 336.480 2.042 10 0 EEAEHO CN(CC[N@H+](C)CCCCc1ccccc1)C(=O)[C@H]1CCCN1C ZINC001568476479 1124534790 /nfs/dbraw/zinc/53/47/90/1124534790.db2.gz BBQRQQIMCZGMQI-LJQANCHMSA-N 1 3 331.504 2.494 10 0 EEAEHO CN(CC[N@@H+](C)CCCCc1ccccc1)C(=O)[C@H]1CCCN1C ZINC001568476479 1124534795 /nfs/dbraw/zinc/53/47/95/1124534795.db2.gz BBQRQQIMCZGMQI-LJQANCHMSA-N 1 3 331.504 2.494 10 0 EEAEHO C[NH+]1CCC(C(=O)NC/C=C\CNCc2ccc(Cl)cc2)CC1 ZINC001568911886 1124939207 /nfs/dbraw/zinc/93/92/07/1124939207.db2.gz IIEMFQNFLDDPBC-IHWYPQMZSA-N 1 3 335.879 2.444 10 0 EEAEHO CCCN1CCN([C@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC000022176538 212280044 /nfs/dbraw/zinc/28/00/44/212280044.db2.gz SJYOSIKNVLOJDG-OAHLLOKOSA-N 1 3 326.282 2.477 10 0 EEAEHO Cc1nn(C)c(C)c1CCN1Cc2ccc(CN(C)C)cc2[C@H]1C[NH3+] ZINC000071683877 203103756 /nfs/dbraw/zinc/10/37/56/203103756.db2.gz KKPCMTLLBMDWCN-HXUWFJFHSA-N 1 3 341.503 2.157 10 0 EEAEHO CN(C)Cc1ccc2c(c1)[C@@H](C[NH3+])N(Cc1ccc3c(c1)OCO3)C2 ZINC000071683873 203104120 /nfs/dbraw/zinc/10/41/20/203104120.db2.gz KQYPJRJKCVOQFQ-GOSISDBHSA-N 1 3 339.439 2.493 10 0 EEAEHO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CCCCC2)CCN1Cc1ccccc1 ZINC000268835315 252285062 /nfs/dbraw/zinc/28/50/62/252285062.db2.gz LNQHWVAZKCJDMJ-HMXCVIKNSA-N 1 3 345.531 2.476 10 0 EEAEHO CC(C)[NH+]1CCC(C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000073010015 292169239 /nfs/dbraw/zinc/16/92/39/292169239.db2.gz QGHAWGWJUDABHS-LJQANCHMSA-N 1 3 331.504 2.396 10 0 EEAEHO C[NH+](C)CC1CCC(NC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000119106702 292241226 /nfs/dbraw/zinc/24/12/26/292241226.db2.gz GDEHGEJJHMWOJS-UHFFFAOYSA-N 1 3 336.524 2.377 10 0 EEAEHO CC(C)N1CCN(CCC[N@@H+]2CCCN(c3ccccn3)CC2)CC1 ZINC000192798869 160174450 /nfs/dbraw/zinc/17/44/50/160174450.db2.gz HSHOYTIFBVYTEV-UHFFFAOYSA-N 1 3 345.535 2.010 10 0 EEAEHO CC(C)N1CCN(CCC[N@H+]2CCCN(c3ccccn3)CC2)CC1 ZINC000192798869 160174452 /nfs/dbraw/zinc/17/44/52/160174452.db2.gz HSHOYTIFBVYTEV-UHFFFAOYSA-N 1 3 345.535 2.010 10 0 EEAEHO Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1-n1cncn1 ZINC000246204546 160267479 /nfs/dbraw/zinc/26/74/79/160267479.db2.gz MBMHPYXKEQOFOC-PKOBYXMFSA-N 1 3 325.460 2.492 10 0 EEAEHO Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1-n1cncn1 ZINC000246204546 160267480 /nfs/dbraw/zinc/26/74/80/160267480.db2.gz MBMHPYXKEQOFOC-PKOBYXMFSA-N 1 3 325.460 2.492 10 0 EEAEHO Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)ccc1-n1cncn1 ZINC000246204546 160267481 /nfs/dbraw/zinc/26/74/81/160267481.db2.gz MBMHPYXKEQOFOC-PKOBYXMFSA-N 1 3 325.460 2.492 10 0 EEAEHO Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)ccc1-n1cncn1 ZINC000246204546 160267482 /nfs/dbraw/zinc/26/74/82/160267482.db2.gz MBMHPYXKEQOFOC-PKOBYXMFSA-N 1 3 325.460 2.492 10 0 EEAEHO CN(C)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000246998574 160304800 /nfs/dbraw/zinc/30/48/00/160304800.db2.gz PNKLUSIDYMRIJY-RTBURBONSA-N 1 3 344.503 2.374 10 0 EEAEHO CN(C)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000246998574 160304802 /nfs/dbraw/zinc/30/48/02/160304802.db2.gz PNKLUSIDYMRIJY-RTBURBONSA-N 1 3 344.503 2.374 10 0 EEAEHO C[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccnc1 ZINC000359930288 164198323 /nfs/dbraw/zinc/19/83/23/164198323.db2.gz CEDSXJSAECTAHE-INIZCTEOSA-N 1 3 344.503 2.250 10 0 EEAEHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@]2(CNC(=O)C2)C1 ZINC000279364327 269274179 /nfs/dbraw/zinc/27/41/79/269274179.db2.gz HJJJTEJYARPFOZ-FQEVSTJZSA-N 1 3 329.488 2.357 10 0 EEAEHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@]2(CNC(=O)C2)C1 ZINC000279364327 269274180 /nfs/dbraw/zinc/27/41/80/269274180.db2.gz HJJJTEJYARPFOZ-FQEVSTJZSA-N 1 3 329.488 2.357 10 0 EEAEHO COC[C@H](CCC[NH3+])NCc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000423075546 274048500 /nfs/dbraw/zinc/04/85/00/274048500.db2.gz XHURZGJOFHEPGI-HNNXBMFYSA-N 1 3 337.855 2.073 10 0 EEAEHO CC(C)(C)[C@H](O)CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000289357456 275111212 /nfs/dbraw/zinc/11/12/12/275111212.db2.gz GWAGGAKLBXQQPN-VQTJNVASSA-N 1 3 345.531 2.286 10 0 EEAEHO CC(C)(C)[C@H](O)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000289357456 275111213 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CC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](C)Cc1ccc(OC)cc1 ZINC000414682145 313063206 /nfs/dbraw/zinc/06/32/06/313063206.db2.gz XVKQIBCVSWUAAN-SJLPKXTDSA-N 1 3 347.503 2.145 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000416839784 313331700 /nfs/dbraw/zinc/33/17/00/313331700.db2.gz KHKOVVMMKGLLBQ-IPMKNSEASA-N 1 3 344.503 2.463 10 0 EEAEHO O=C(NCc1ccccc1CN1CCCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000416893676 313352277 /nfs/dbraw/zinc/35/22/77/313352277.db2.gz CBWQWOITHDFZNK-KDURUIRLSA-N 1 3 342.487 2.033 10 0 EEAEHO C[C@@H]([NH3+])[C@H](C)NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000417219916 313453610 /nfs/dbraw/zinc/45/36/10/313453610.db2.gz XGGRFPUHEDJNFC-SOLBZPMBSA-N 1 3 332.492 2.495 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1nn(C)c(C)c1Cl ZINC000421360061 314091521 /nfs/dbraw/zinc/09/15/21/314091521.db2.gz YOORBHXJMMUBPG-OAHLLOKOSA-N 1 3 341.931 2.230 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1nn(C)c(C)c1Cl ZINC000421360061 314091525 /nfs/dbraw/zinc/09/15/25/314091525.db2.gz YOORBHXJMMUBPG-OAHLLOKOSA-N 1 3 341.931 2.230 10 0 EEAEHO CN(CCC(=O)N1CCN(C2CCCCC2)CC1)c1cc[nH+]cc1 ZINC000542786079 318140089 /nfs/dbraw/zinc/14/00/89/318140089.db2.gz RBGDCGYILHSHDG-UHFFFAOYSA-N 1 3 330.476 2.385 10 0 EEAEHO CN1CCC(C[NH2+][C@H]2CCC23CCOCC3)(N2CCCCC2)CC1 ZINC000548860196 318416251 /nfs/dbraw/zinc/41/62/51/318416251.db2.gz QTHAEOOSZDBGGD-SFHVURJKSA-N 1 3 335.536 2.486 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000564310247 319077392 /nfs/dbraw/zinc/07/73/92/319077392.db2.gz VTHZGBBNCUOJNN-WBVHZDCISA-N 1 3 332.492 2.194 10 0 EEAEHO CC(=O)c1ccc(OC[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000564853976 319118527 /nfs/dbraw/zinc/11/85/27/319118527.db2.gz ICMGZQBSAMIOPV-IPQPSQTFSA-N 1 3 346.471 2.234 10 0 EEAEHO CC(=O)c1ccc(OC[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000564853976 319118529 /nfs/dbraw/zinc/11/85/29/319118529.db2.gz ICMGZQBSAMIOPV-IPQPSQTFSA-N 1 3 346.471 2.234 10 0 EEAEHO CC(C)[NH2+]C1(CO)CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000577646534 320268267 /nfs/dbraw/zinc/26/82/67/320268267.db2.gz NKANIOWWRUHIMG-LJQANCHMSA-N 1 3 331.504 2.086 10 0 EEAEHO O[C@H](COCc1cccs1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193080848 465025966 /nfs/dbraw/zinc/02/59/66/465025966.db2.gz VDQLWGLJPQYLIC-KRWDZBQOSA-N 1 3 338.517 2.433 10 0 EEAEHO Cc1nccn1-c1ccc([C@@H](C)NC[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351612803 465250921 /nfs/dbraw/zinc/25/09/21/465250921.db2.gz YCDYZVNZIAHEBW-KUHUBIRLSA-N 1 3 328.460 2.286 10 0 EEAEHO Cc1nccn1-c1ccc([C@@H](C)NC[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351612803 465250922 /nfs/dbraw/zinc/25/09/22/465250922.db2.gz YCDYZVNZIAHEBW-KUHUBIRLSA-N 1 3 328.460 2.286 10 0 EEAEHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)CN(C)C2CC2)cc1 ZINC000351612803 465250924 /nfs/dbraw/zinc/25/09/24/465250924.db2.gz YCDYZVNZIAHEBW-KUHUBIRLSA-N 1 3 328.460 2.286 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]CCn2ccnc2)CC1 ZINC000151338748 463515291 /nfs/dbraw/zinc/51/52/91/463515291.db2.gz VVGHSLBSRGGOAW-UHFFFAOYSA-N 1 3 327.476 2.205 10 0 EEAEHO CC1CC[NH+](Cc2ccccc2CNC(=O)C2(N)CCOCC2)CC1 ZINC000261952507 463909177 /nfs/dbraw/zinc/90/91/77/463909177.db2.gz ZDTMPXRQBNYASF-UHFFFAOYSA-N 1 3 345.487 2.043 10 0 EEAEHO C[N@@H+]1CC[C@]2(CCN(CCCCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000292247499 464172338 /nfs/dbraw/zinc/17/23/38/464172338.db2.gz XLDLLUGVNKOXMG-FQEVSTJZSA-N 1 3 341.455 2.090 10 0 EEAEHO C[N@H+]1CC[C@]2(CCN(CCCCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000292247499 464172342 /nfs/dbraw/zinc/17/23/42/464172342.db2.gz XLDLLUGVNKOXMG-FQEVSTJZSA-N 1 3 341.455 2.090 10 0 EEAEHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000252441845 464954804 /nfs/dbraw/zinc/95/48/04/464954804.db2.gz AXSQHCGALYVLAG-SFHVURJKSA-N 1 3 330.476 2.128 10 0 EEAEHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000252441845 464954807 /nfs/dbraw/zinc/95/48/07/464954807.db2.gz AXSQHCGALYVLAG-SFHVURJKSA-N 1 3 330.476 2.128 10 0 EEAEHO CN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CN2CCC1CC2 ZINC000347945247 465327495 /nfs/dbraw/zinc/32/74/95/465327495.db2.gz JOLXWOWFFFBJEN-VQTJNVASSA-N 1 3 341.499 2.451 10 0 EEAEHO CN(C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CN2CCC1CC2 ZINC000347945247 465327499 /nfs/dbraw/zinc/32/74/99/465327499.db2.gz JOLXWOWFFFBJEN-VQTJNVASSA-N 1 3 341.499 2.451 10 0 EEAEHO CC(C)C[C@H](N[C@@H]1CCCc2ccc(O)cc21)C(=O)NCC[NH+](C)C ZINC000340517191 466148070 /nfs/dbraw/zinc/14/80/70/466148070.db2.gz ZNCAMIGIAWZWKG-MOPGFXCFSA-N 1 3 347.503 2.452 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363247221 466304408 /nfs/dbraw/zinc/30/44/08/466304408.db2.gz KNXAACOLGMLHCF-OALUTQOASA-N 1 3 344.503 2.039 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000363247221 466304416 /nfs/dbraw/zinc/30/44/16/466304416.db2.gz KNXAACOLGMLHCF-OALUTQOASA-N 1 3 344.503 2.039 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363247220 466305329 /nfs/dbraw/zinc/30/53/29/466305329.db2.gz KNXAACOLGMLHCF-MOPGFXCFSA-N 1 3 344.503 2.039 10 0 EEAEHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000363247220 466305337 /nfs/dbraw/zinc/30/53/37/466305337.db2.gz KNXAACOLGMLHCF-MOPGFXCFSA-N 1 3 344.503 2.039 10 0 EEAEHO C[C@H](CCNC(=O)N1CCN2CCC1CC2)[N@H+](C)Cc1ccccc1 ZINC000367415198 466323546 /nfs/dbraw/zinc/32/35/46/466323546.db2.gz LCMCAHADZQYLSX-QGZVFWFLSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@H](CCNC(=O)N1CCN2CCC1CC2)[N@@H+](C)Cc1ccccc1 ZINC000367415198 466323552 /nfs/dbraw/zinc/32/35/52/466323552.db2.gz LCMCAHADZQYLSX-QGZVFWFLSA-N 1 3 344.503 2.387 10 0 EEAEHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCNc2ccncc2)C1 ZINC000349954997 466325549 /nfs/dbraw/zinc/32/55/49/466325549.db2.gz YZEMFARLCAPAIY-INIZCTEOSA-N 1 3 347.507 2.115 10 0 EEAEHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCNc2ccncc2)C1 ZINC000349954997 466325556 /nfs/dbraw/zinc/32/55/56/466325556.db2.gz YZEMFARLCAPAIY-INIZCTEOSA-N 1 3 347.507 2.115 10 0 EEAEHO C[C@H](Cn1cc(Br)ccc1=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000423281279 466709328 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EEAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418579827 467131220 /nfs/dbraw/zinc/13/12/20/467131220.db2.gz RXZOZGABFNKNEG-YJBOKZPZSA-N 1 3 332.492 2.278 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000418610707 467135678 /nfs/dbraw/zinc/13/56/78/467135678.db2.gz GHGUGWDPBNFWDG-VQIMIIECSA-N 1 3 344.503 2.290 10 0 EEAEHO CN(C(=O)NCCC1=CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418637966 467139193 /nfs/dbraw/zinc/13/91/93/467139193.db2.gz KFPFZHHZTFTQER-LJQANCHMSA-N 1 3 342.487 2.212 10 0 EEAEHO CCc1ccccc1[C@H](N)CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000418652843 467140894 /nfs/dbraw/zinc/14/08/94/467140894.db2.gz NMYKNVDACKHPJU-QGTPRVQTSA-N 1 3 332.492 2.230 10 0 EEAEHO CCc1ccccc1[C@H](N)CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000418652843 467140895 /nfs/dbraw/zinc/14/08/95/467140895.db2.gz NMYKNVDACKHPJU-QGTPRVQTSA-N 1 3 332.492 2.230 10 0 EEAEHO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414297747 467399566 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CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000533913467 468227812 /nfs/dbraw/zinc/22/78/12/468227812.db2.gz DZDVMDMNLNFISC-NZSAHSFTSA-N 1 3 344.503 2.461 10 0 EEAEHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578742285 468248661 /nfs/dbraw/zinc/24/86/61/468248661.db2.gz PGXOVMLFOWEHLM-ICSRJNTNSA-N 1 3 342.487 2.046 10 0 EEAEHO CN1CC[C@H](NC(=O)NCC2(C)CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000572380890 468925931 /nfs/dbraw/zinc/92/59/31/468925931.db2.gz BHAJJJFSLHATNI-IRXDYDNUSA-N 1 3 330.476 2.121 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000585120775 468980970 /nfs/dbraw/zinc/98/09/70/468980970.db2.gz KPVGPJYLENSGMF-MJGOQNOKSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000585120775 468980977 /nfs/dbraw/zinc/98/09/77/468980977.db2.gz KPVGPJYLENSGMF-MJGOQNOKSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@@H]1CN(C[C@H]2CCCN2Cc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)O1 ZINC000572888679 469016613 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C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc(C(C)(C)C)s1 ZINC000617504809 469703012 /nfs/dbraw/zinc/70/30/12/469703012.db2.gz LFFBKQCIPKZSHE-ZDUSSCGKSA-N 1 3 340.537 2.442 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc(C(C)(C)C)s1 ZINC000617504809 469703016 /nfs/dbraw/zinc/70/30/16/469703016.db2.gz LFFBKQCIPKZSHE-ZDUSSCGKSA-N 1 3 340.537 2.442 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CSc2ccccc21 ZINC000617505489 469703880 /nfs/dbraw/zinc/70/38/80/469703880.db2.gz FCQOEGBWWLAWEP-GOEBONIOSA-N 1 3 335.517 2.264 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CSc2ccccc21 ZINC000617505489 469703885 /nfs/dbraw/zinc/70/38/85/469703885.db2.gz FCQOEGBWWLAWEP-GOEBONIOSA-N 1 3 335.517 2.264 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000617505485 469704422 /nfs/dbraw/zinc/70/44/22/469704422.db2.gz FBJJJHPBNOJIID-LDQXTDLNSA-N 1 3 343.515 2.279 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000617505485 469704426 /nfs/dbraw/zinc/70/44/26/469704426.db2.gz FBJJJHPBNOJIID-LDQXTDLNSA-N 1 3 343.515 2.279 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ncccc1C(F)(F)F ZINC000617506179 469706649 /nfs/dbraw/zinc/70/66/49/469706649.db2.gz DPYIZXLNAIWABU-LBPRGKRZSA-N 1 3 346.397 2.102 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ncccc1C(F)(F)F ZINC000617506179 469706655 /nfs/dbraw/zinc/70/66/55/469706655.db2.gz DPYIZXLNAIWABU-LBPRGKRZSA-N 1 3 346.397 2.102 10 0 EEAEHO C[C@H](CNC(=O)NC[C@H]1CCN1C1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000623601410 469707511 /nfs/dbraw/zinc/70/75/11/469707511.db2.gz CJDWFCQPGILEBU-JFIYKMOQSA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@H](CNC(=O)NC[C@H]1CCN1C1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000623601410 469707518 /nfs/dbraw/zinc/70/75/18/469707518.db2.gz CJDWFCQPGILEBU-JFIYKMOQSA-N 1 3 336.524 2.423 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000626930719 469758618 /nfs/dbraw/zinc/75/86/18/469758618.db2.gz HZCQNKNNGJUFSM-RBUKOAKNSA-N 1 3 344.503 2.133 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C[NH2+]1 ZINC000626993777 469781816 /nfs/dbraw/zinc/78/18/16/469781816.db2.gz MWUPNSZAYOTJDI-ZAWLATJESA-N 1 3 344.503 2.337 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000626998153 469783229 /nfs/dbraw/zinc/78/32/29/469783229.db2.gz IIWXXDXUGOQFLX-LEUOFYLZSA-N 1 3 330.476 2.089 10 0 EEAEHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@@H]1CCCCO1 ZINC000623881338 469787690 /nfs/dbraw/zinc/78/76/90/469787690.db2.gz KTRPTOFBWHLCSD-HKUYNNGSSA-N 1 3 332.492 2.141 10 0 EEAEHO CC[C@@H](C)N[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccco1 ZINC000627034832 469797305 /nfs/dbraw/zinc/79/73/05/469797305.db2.gz MMEBUWYKMOBZFS-RGCFKVTRSA-N 1 3 348.491 2.350 10 0 EEAEHO CN(CCCN(C)C(=O)N[C@@H]1CC[NH2+]C12CCC2)Cc1ccco1 ZINC000627127976 469819979 /nfs/dbraw/zinc/81/99/79/469819979.db2.gz BRPJFYAMFNMPMV-MRXNPFEDSA-N 1 3 334.464 2.028 10 0 EEAEHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627134315 469820723 /nfs/dbraw/zinc/82/07/23/469820723.db2.gz XTDCNKZQYORWFM-KRWDZBQOSA-N 1 3 348.466 2.184 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1cccc2cnccc21 ZINC000628050434 470047627 /nfs/dbraw/zinc/04/76/27/470047627.db2.gz DEDWQIYFGSZLMN-INIZCTEOSA-N 1 3 342.487 2.166 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1cccc2cnccc21 ZINC000628050434 470047630 /nfs/dbraw/zinc/04/76/30/470047630.db2.gz DEDWQIYFGSZLMN-INIZCTEOSA-N 1 3 342.487 2.166 10 0 EEAEHO C[C@H]([NH2+]C[C@H](O)C[C@@](C)(O)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000634711471 470284315 /nfs/dbraw/zinc/28/43/15/470284315.db2.gz PJJDTWCXJKMMJC-XIGKFDRGSA-N 1 3 346.515 2.399 10 0 EEAEHO C[C@H](NC[C@H](O)C[C@@](C)(O)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000634711471 470284316 /nfs/dbraw/zinc/28/43/16/470284316.db2.gz PJJDTWCXJKMMJC-XIGKFDRGSA-N 1 3 346.515 2.399 10 0 EEAEHO C[C@H](NC[C@H](O)C[C@@](C)(O)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000634711471 470284318 /nfs/dbraw/zinc/28/43/18/470284318.db2.gz PJJDTWCXJKMMJC-XIGKFDRGSA-N 1 3 346.515 2.399 10 0 EEAEHO c1cc(OCCN2CCCC2)ccc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000647502816 470915734 /nfs/dbraw/zinc/91/57/34/470915734.db2.gz KJYYFHUYNVEFCB-LJQANCHMSA-N 1 3 329.488 2.488 10 0 EEAEHO C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654503024 471043470 /nfs/dbraw/zinc/04/34/70/471043470.db2.gz ZPFIMWLOOKNPFS-OPQOLIRYSA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@H]1CN(CCCC[NH2+]Cc2c(C(F)(F)F)cnn2C)C[C@H](C)O1 ZINC000657367665 471115273 /nfs/dbraw/zinc/11/52/73/471115273.db2.gz RIKGYWBAKJUXSP-STQMWFEESA-N 1 3 348.413 2.418 10 0 EEAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc(Br)cn1 ZINC000657574570 471173630 /nfs/dbraw/zinc/17/36/30/471173630.db2.gz ZYRNDJVUWIFRSJ-ZDUSSCGKSA-N 1 3 343.313 2.206 10 0 EEAEHO CC(C)(CNC(=O)NCCC1(C[NH3+])CC1)N1CCc2ccccc2C1 ZINC000652131188 471241423 /nfs/dbraw/zinc/24/14/23/471241423.db2.gz PHXOLIDHGTVQCA-UHFFFAOYSA-N 1 3 344.503 2.252 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)NCCC2(C[NH3+])CC2)CN1Cc1ccccc1 ZINC000652167453 471248558 /nfs/dbraw/zinc/24/85/58/471248558.db2.gz UVXJXEQANGBEHL-NVXWUHKLSA-N 1 3 330.476 2.078 10 0 EEAEHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCSCC2)cc1 ZINC000657919839 471248590 /nfs/dbraw/zinc/24/85/90/471248590.db2.gz REOXRSRXKAGYPY-KRWDZBQOSA-N 1 3 335.517 2.353 10 0 EEAEHO CN(C(=O)NCCC1(C[NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000652239300 471260912 /nfs/dbraw/zinc/26/09/12/471260912.db2.gz JNVYYAIISMECQR-KRWDZBQOSA-N 1 3 330.476 2.031 10 0 EEAEHO C[NH2+]Cc1ccccc1CNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000652284366 471266655 /nfs/dbraw/zinc/26/66/55/471266655.db2.gz RYQNDTCVJLBJDR-UHFFFAOYSA-N 1 3 332.492 2.422 10 0 EEAEHO C[C@H]1CCCCN1CCNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660394714 471321794 /nfs/dbraw/zinc/32/17/94/471321794.db2.gz CSWAJLVVVQURKO-INIZCTEOSA-N 1 3 336.524 2.282 10 0 EEAEHO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659035707 471477758 /nfs/dbraw/zinc/47/77/58/471477758.db2.gz MRBCGBZEOSQWGC-ROUUACIJSA-N 1 3 346.475 2.296 10 0 EEAEHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](CN)C(F)(F)F)c1 ZINC000655912332 471534804 /nfs/dbraw/zinc/53/48/04/471534804.db2.gz TXFXJEOEDVXCHA-AWEZNQCLSA-N 1 3 346.397 2.217 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)NC/C=C/C[NH3+])N(CC)CC)cc1 ZINC000669590911 471571307 /nfs/dbraw/zinc/57/13/07/471571307.db2.gz VUFRWOQBAQGKLI-LKGOPFMKSA-N 1 3 332.492 2.446 10 0 EEAEHO [NH3+]C[C@@H](C(=O)Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(F)cc1 ZINC000659365042 471593576 /nfs/dbraw/zinc/59/35/76/471593576.db2.gz DTQFXJALUXTXAS-MSOLQXFVSA-N 1 3 343.402 2.168 10 0 EEAEHO C[C@H]1C[C@H](N(C)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CCN1C ZINC000659578621 471685290 /nfs/dbraw/zinc/68/52/90/471685290.db2.gz FCSLXQSHDCUOIG-JCHJZTRSSA-N 1 3 344.503 2.256 10 0 EEAEHO O[C@]1(C2CC2)CCCN(C/C=C/C[N@@H+]2CCC[C@](O)(C3CC3)C2)C1 ZINC000661631420 471835246 /nfs/dbraw/zinc/83/52/46/471835246.db2.gz KPECFVWCEXYUHI-RHZFVVMASA-N 1 3 334.504 2.016 10 0 EEAEHO O[C@]1(C2CC2)CCCN(C/C=C/C[N@H+]2CCC[C@](O)(C3CC3)C2)C1 ZINC000661631420 471835249 /nfs/dbraw/zinc/83/52/49/471835249.db2.gz KPECFVWCEXYUHI-RHZFVVMASA-N 1 3 334.504 2.016 10 0 EEAEHO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc3c(c2F)CCNC3)C1 ZINC000667831523 471921718 /nfs/dbraw/zinc/92/17/18/471921718.db2.gz KPDBUTLISUROLA-CQSZACIVSA-N 1 3 334.439 2.466 10 0 EEAEHO C[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)N(C)Cc1ccccc1 ZINC000654437248 471958784 /nfs/dbraw/zinc/95/87/84/471958784.db2.gz HCHXHAZZVCFEOY-RYQLBKOJSA-N 1 3 332.492 2.146 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000654444771 471962501 /nfs/dbraw/zinc/96/25/01/471962501.db2.gz CGHGNXLITFJJHX-QRVBRYPASA-N 1 3 344.503 2.290 10 0 EEAEHO c1ccc(C[N@@H+]2CCC3(COC3)C2)c(CN2CCC3(COC3)C2)c1 ZINC000662072830 471976512 /nfs/dbraw/zinc/97/65/12/471976512.db2.gz CHYZVAFQORTWAA-UHFFFAOYSA-N 1 3 328.456 2.131 10 0 EEAEHO c1ccc(C[N@H+]2CCC3(COC3)C2)c(CN2CCC3(COC3)C2)c1 ZINC000662072830 471976515 /nfs/dbraw/zinc/97/65/15/471976515.db2.gz CHYZVAFQORTWAA-UHFFFAOYSA-N 1 3 328.456 2.131 10 0 EEAEHO C[NH+]1CCC([C@@H]2CCN(Cc3ccnn3-c3ccncc3)C2)CC1 ZINC000668169036 472036589 /nfs/dbraw/zinc/03/65/89/472036589.db2.gz GQFABPUMWMCUGB-QGZVFWFLSA-N 1 3 325.460 2.431 10 0 EEAEHO NC1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCC1 ZINC000662714483 472219817 /nfs/dbraw/zinc/21/98/17/472219817.db2.gz IQOZCZJWUCIVSN-KRWDZBQOSA-N 1 3 327.472 2.286 10 0 EEAEHO NC1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCC1 ZINC000662714483 472219822 /nfs/dbraw/zinc/21/98/22/472219822.db2.gz IQOZCZJWUCIVSN-KRWDZBQOSA-N 1 3 327.472 2.286 10 0 EEAEHO NC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCC1 ZINC000662714486 472220009 /nfs/dbraw/zinc/22/00/09/472220009.db2.gz IQOZCZJWUCIVSN-QGZVFWFLSA-N 1 3 327.472 2.286 10 0 EEAEHO NC1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCC1 ZINC000662714486 472220012 /nfs/dbraw/zinc/22/00/12/472220012.db2.gz IQOZCZJWUCIVSN-QGZVFWFLSA-N 1 3 327.472 2.286 10 0 EEAEHO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCCN(C)C1 ZINC000673771712 485527110 /nfs/dbraw/zinc/52/71/10/485527110.db2.gz LWMIMILLVWZPEB-PKOBYXMFSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCCN(C)C1 ZINC000673771712 485527118 /nfs/dbraw/zinc/52/71/18/485527118.db2.gz LWMIMILLVWZPEB-PKOBYXMFSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000310278485 485632573 /nfs/dbraw/zinc/63/25/73/485632573.db2.gz KFELOPIEVXHZBY-BBRMVZONSA-N 1 3 343.393 2.165 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCCN2C2CC2)[C@H](C)C1 ZINC000434359613 485714356 /nfs/dbraw/zinc/71/43/56/485714356.db2.gz XDUBBYPPRMZMAN-NXHRZFHOSA-N 1 3 336.524 2.375 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCCN2C2CC2)[C@H](C)C1 ZINC000434359613 485714364 /nfs/dbraw/zinc/71/43/64/485714364.db2.gz XDUBBYPPRMZMAN-NXHRZFHOSA-N 1 3 336.524 2.375 10 0 EEAEHO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc3c(c2F)CCNC3)C1 ZINC000415964278 528253756 /nfs/dbraw/zinc/25/37/56/528253756.db2.gz XMNKGALGZMSYCV-CQSZACIVSA-N 1 3 334.439 2.419 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000732134710 577150603 /nfs/dbraw/zinc/15/06/03/577150603.db2.gz GIIBPTCAVRDJFP-GOSISDBHSA-N 1 3 333.476 2.464 10 0 EEAEHO Cc1coc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000894763790 683080203 /nfs/dbraw/zinc/08/02/03/683080203.db2.gz PCSRUQHIXZEKSC-UHFFFAOYSA-N 1 3 333.476 2.402 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@H]1CN(C[C@H]2CCCCO2)CC1(C)C ZINC001485582966 1191849040 /nfs/dbraw/zinc/84/90/40/1191849040.db2.gz WXLYQDDOUJNBBU-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@H](C[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1)OC ZINC001485683049 1191896230 /nfs/dbraw/zinc/89/62/30/1191896230.db2.gz FAYRYHLADWUUPR-BRWVUGGUSA-N 1 3 339.524 2.160 10 0 EEAEHO COCCCN1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001266336259 1176323222 /nfs/dbraw/zinc/32/32/22/1176323222.db2.gz MFSFWJIGHWGSBM-FUHWJXTLSA-N 1 3 337.508 2.011 10 0 EEAEHO COCCCN1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001266336259 1176323234 /nfs/dbraw/zinc/32/32/34/1176323234.db2.gz MFSFWJIGHWGSBM-FUHWJXTLSA-N 1 3 337.508 2.011 10 0 EEAEHO CN(CC[NH2+]Cc1cccc(C(F)F)c1)C(=O)[C@H]1CCCN1C ZINC001266660894 1177079519 /nfs/dbraw/zinc/07/95/19/1177079519.db2.gz VZNCVKOOFXWWFS-OAHLLOKOSA-N 1 3 325.403 2.266 10 0 EEAEHO Cc1ncc(C[N@H+]2CCC[C@@H]2CCCNC(=O)CN(C)C(C)C)o1 ZINC001267181846 1178444122 /nfs/dbraw/zinc/44/41/22/1178444122.db2.gz ORWOATHZMCQVMY-INIZCTEOSA-N 1 3 336.480 2.184 10 0 EEAEHO Cc1ncc(C[N@@H+]2CCC[C@@H]2CCCNC(=O)CN(C)C(C)C)o1 ZINC001267181846 1178444125 /nfs/dbraw/zinc/44/41/25/1178444125.db2.gz ORWOATHZMCQVMY-INIZCTEOSA-N 1 3 336.480 2.184 10 0 EEAEHO CCN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1cc(F)ccc1C ZINC001481011646 1179490042 /nfs/dbraw/zinc/49/00/42/1179490042.db2.gz IAWSGMBSEUFDQT-MRXNPFEDSA-N 1 3 335.467 2.414 10 0 EEAEHO CCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1cc(F)ccc1C ZINC001481011646 1179490046 /nfs/dbraw/zinc/49/00/46/1179490046.db2.gz IAWSGMBSEUFDQT-MRXNPFEDSA-N 1 3 335.467 2.414 10 0 EEAEHO CCOCCN1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001481072019 1179675262 /nfs/dbraw/zinc/67/52/62/1179675262.db2.gz VFDWQWRXBNMXIR-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CCc1ccc(F)c(F)c1 ZINC001267965144 1180858932 /nfs/dbraw/zinc/85/89/32/1180858932.db2.gz UWEFNVRLNDJMSQ-OAHLLOKOSA-N 1 3 348.397 2.054 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CCN(Cc3conc3C)C2)CC[N@@H+]1C ZINC001481430282 1181316906 /nfs/dbraw/zinc/31/69/06/1181316906.db2.gz AXEADKYPIUDBED-RYQLBKOJSA-N 1 3 348.491 2.042 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CCN(Cc3conc3C)C2)CC[N@H+]1C ZINC001481430282 1181316912 /nfs/dbraw/zinc/31/69/12/1181316912.db2.gz AXEADKYPIUDBED-RYQLBKOJSA-N 1 3 348.491 2.042 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[N@H+](C)CCc3cccs3)C2)C1 ZINC001481497090 1181566774 /nfs/dbraw/zinc/56/67/74/1181566774.db2.gz HWWXPTYIZFXNBN-IAGOWNOFSA-N 1 3 349.544 2.413 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)CCc3cccs3)C2)C1 ZINC001481497090 1181566778 /nfs/dbraw/zinc/56/67/78/1181566778.db2.gz HWWXPTYIZFXNBN-IAGOWNOFSA-N 1 3 349.544 2.413 10 0 EEAEHO C[C@@H](C[NH2+]CCCCC1CCOCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001268079003 1181688161 /nfs/dbraw/zinc/68/81/61/1181688161.db2.gz NLUNLLMBVUGVAP-FUHWJXTLSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H](CC[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)C1(N(C)C)CCC1 ZINC001268369311 1182354962 /nfs/dbraw/zinc/35/49/62/1182354962.db2.gz VEPCWTUYZTVMOE-KGLIPLIRSA-N 1 3 331.451 2.391 10 0 EEAEHO CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@H]1CCN(CCOC(C)C)C1 ZINC001481768420 1182652933 /nfs/dbraw/zinc/65/29/33/1182652933.db2.gz NSRVZRJVRFXXPQ-MSOLQXFVSA-N 1 3 339.524 2.209 10 0 EEAEHO CCN(C(=O)CC[C@H]1CCC[N@H+]1C)[C@H]1CCN(CCOC(C)C)C1 ZINC001481768420 1182652937 /nfs/dbraw/zinc/65/29/37/1182652937.db2.gz NSRVZRJVRFXXPQ-MSOLQXFVSA-N 1 3 339.524 2.209 10 0 EEAEHO CCN(CCNCc1cncc(F)c1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268459468 1182732889 /nfs/dbraw/zinc/73/28/89/1182732889.db2.gz WGBATRWWFQUBEA-KRWDZBQOSA-N 1 3 336.455 2.033 10 0 EEAEHO CCN(CCNCc1cncc(F)c1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001268459468 1182732899 /nfs/dbraw/zinc/73/28/99/1182732899.db2.gz WGBATRWWFQUBEA-KRWDZBQOSA-N 1 3 336.455 2.033 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001481953413 1183030421 /nfs/dbraw/zinc/03/04/21/1183030421.db2.gz XWHLWZXDHAEZMZ-MRXNPFEDSA-N 1 3 331.451 2.246 10 0 EEAEHO Cc1ccc(C[NH2+]C/C=C/CNC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001268591210 1183391977 /nfs/dbraw/zinc/39/19/77/1183391977.db2.gz OLUMGVDHBVFTJJ-DWTRPJMMSA-N 1 3 329.488 2.407 10 0 EEAEHO CC(C)(C(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCF)N1CCCCC1 ZINC001268757635 1183677624 /nfs/dbraw/zinc/67/76/24/1183677624.db2.gz DJVDDTHCDGBGMO-CVEARBPZSA-N 1 3 327.488 2.485 10 0 EEAEHO C[C@@H](CNCc1ccccc1OC1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482365591 1185524339 /nfs/dbraw/zinc/52/43/39/1185524339.db2.gz WUZREJJIIPOFRA-RDJZCZTQSA-N 1 3 345.487 2.116 10 0 EEAEHO C[C@@H](CNCc1ccccc1OC1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482365591 1185524344 /nfs/dbraw/zinc/52/43/44/1185524344.db2.gz WUZREJJIIPOFRA-RDJZCZTQSA-N 1 3 345.487 2.116 10 0 EEAEHO Cc1ccncc1C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001271565244 1186315830 /nfs/dbraw/zinc/31/58/30/1186315830.db2.gz BQVWTLIAVVJYJP-RTBURBONSA-N 1 3 344.503 2.345 10 0 EEAEHO CN(CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)Cc1ccc2cc[nH]c2c1 ZINC001482642759 1187473894 /nfs/dbraw/zinc/47/38/94/1187473894.db2.gz SJKIWSKDACIXNF-QGZVFWFLSA-N 1 3 342.487 2.400 10 0 EEAEHO CN(CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)Cc1ccc2cc[nH]c2c1 ZINC001482642759 1187473900 /nfs/dbraw/zinc/47/39/00/1187473900.db2.gz SJKIWSKDACIXNF-QGZVFWFLSA-N 1 3 342.487 2.400 10 0 EEAEHO CCn1ccc(CNCC[C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)n1 ZINC001482875851 1187795788 /nfs/dbraw/zinc/79/57/88/1187795788.db2.gz BPEUOUVGZRHNRU-SJORKVTESA-N 1 3 349.523 2.152 10 0 EEAEHO CN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCc1ccc(Cl)cc1 ZINC001482991606 1187969767 /nfs/dbraw/zinc/96/97/67/1187969767.db2.gz SDPGTKJSMKKTOV-YATRRXNKSA-N 1 3 335.879 2.239 10 0 EEAEHO C[C@@H](CNCc1ccc(F)c(Cl)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483228275 1189539725 /nfs/dbraw/zinc/53/97/25/1189539725.db2.gz LBZFQWGAYRMBNT-OUCADQQQSA-N 1 3 341.858 2.414 10 0 EEAEHO C[C@@H](CNCc1ccc(F)c(Cl)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483228275 1189539729 /nfs/dbraw/zinc/53/97/29/1189539729.db2.gz LBZFQWGAYRMBNT-OUCADQQQSA-N 1 3 341.858 2.414 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)NCc2cncc(C)c2)C1 ZINC001485914340 1193638636 /nfs/dbraw/zinc/63/86/36/1193638636.db2.gz YHRCTBAZWGAGPD-HKUYNNGSSA-N 1 3 346.519 2.449 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)NCc2cncc(C)c2)C1 ZINC001485914340 1193638637 /nfs/dbraw/zinc/63/86/37/1193638637.db2.gz YHRCTBAZWGAGPD-HKUYNNGSSA-N 1 3 346.519 2.449 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)Cc1cccc2c1CCOC2 ZINC001409682209 1190182202 /nfs/dbraw/zinc/18/22/02/1190182202.db2.gz GPTWJJHLAWVMNA-INIZCTEOSA-N 1 3 347.503 2.036 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1cccc2c1CCOC2 ZINC001409682209 1190182204 /nfs/dbraw/zinc/18/22/04/1190182204.db2.gz GPTWJJHLAWVMNA-INIZCTEOSA-N 1 3 347.503 2.036 10 0 EEAEHO COCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)cc1 ZINC001486095087 1193679617 /nfs/dbraw/zinc/67/96/17/1193679617.db2.gz GFRRNGSCXYTIIF-VQIMIIECSA-N 1 3 347.503 2.252 10 0 EEAEHO CC(C)c1cccc(CN[C@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)n1 ZINC001486120808 1193687550 /nfs/dbraw/zinc/68/75/50/1193687550.db2.gz FHDKBLNNKAYUCZ-RDJZCZTQSA-N 1 3 332.492 2.236 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)cc1 ZINC001486131638 1193689993 /nfs/dbraw/zinc/68/99/93/1193689993.db2.gz XUYSFQKLWCGNOZ-ROUUACIJSA-N 1 3 345.487 2.049 10 0 EEAEHO CC[C@@H](F)C[N@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001483817020 1191061717 /nfs/dbraw/zinc/06/17/17/1191061717.db2.gz AOKZBAZKSDESBP-OAHLLOKOSA-N 1 3 336.455 2.403 10 0 EEAEHO CC[C@@H](F)C[N@@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001483817020 1191061719 /nfs/dbraw/zinc/06/17/19/1191061719.db2.gz AOKZBAZKSDESBP-OAHLLOKOSA-N 1 3 336.455 2.403 10 0 EEAEHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@H](C)C2)sn1 ZINC001483918355 1191116189 /nfs/dbraw/zinc/11/61/89/1191116189.db2.gz XXAQKQHPLHMYDD-HUUCEWRRSA-N 1 3 338.521 2.261 10 0 EEAEHO C[NH+](C)CCC(=O)N1CC2(C1)CCN(Cc1ccccc1F)CC2 ZINC001484580439 1191425277 /nfs/dbraw/zinc/42/52/77/1191425277.db2.gz GVAVMOOHWWRSSJ-UHFFFAOYSA-N 1 3 333.451 2.202 10 0 EEAEHO C[C@@H](NCc1cccnc1)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485212514 1191695331 /nfs/dbraw/zinc/69/53/31/1191695331.db2.gz SVUWUHXKVYAEJK-CVEARBPZSA-N 1 3 344.503 2.186 10 0 EEAEHO C[N@H+](CC(=O)N1C[C@H](NCc2ccccn2)C(C)(C)C1)CC(C)(C)C ZINC001486242680 1193769504 /nfs/dbraw/zinc/76/95/04/1193769504.db2.gz MUSKOKYYYPZEBJ-KRWDZBQOSA-N 1 3 346.519 2.386 10 0 EEAEHO C[N@@H+](CC(=O)N1C[C@H](NCc2ccccn2)C(C)(C)C1)CC(C)(C)C ZINC001486242680 1193769508 /nfs/dbraw/zinc/76/95/08/1193769508.db2.gz MUSKOKYYYPZEBJ-KRWDZBQOSA-N 1 3 346.519 2.386 10 0 EEAEHO CN(C)C1(C(=O)N[C@H](C[NH2+]CC[C@@H]2CCCO2)C(C)(C)C)CCC1 ZINC001486398172 1193898224 /nfs/dbraw/zinc/89/82/24/1193898224.db2.gz DHCGIEFOBQVIPW-JKSUJKDBSA-N 1 3 339.524 2.160 10 0 EEAEHO COc1ccc(CC[NH2+]C2CC(N(C)C(=O)CN(C)C(C)C)C2)cc1 ZINC001486483596 1193997572 /nfs/dbraw/zinc/99/75/72/1193997572.db2.gz MBUTVJCLQFWCOP-UHFFFAOYSA-N 1 3 347.503 2.157 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCC[C@@H](NCc2ccon2)C(C)C)CC[N@@H+]1C ZINC001410250481 1197633813 /nfs/dbraw/zinc/63/38/13/1197633813.db2.gz LXFOAJGWTVTGAK-GVDBMIGSSA-N 1 3 336.480 2.025 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCC[C@@H](NCc2ccon2)C(C)C)CC[N@H+]1C ZINC001410250481 1197633819 /nfs/dbraw/zinc/63/38/19/1197633819.db2.gz LXFOAJGWTVTGAK-GVDBMIGSSA-N 1 3 336.480 2.025 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)NCc2cnccc2C)C1 ZINC001410433199 1197878416 /nfs/dbraw/zinc/87/84/16/1197878416.db2.gz YPFJJTRIKYUXQX-ROUUACIJSA-N 1 3 346.519 2.449 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)NCc2cnccc2C)C1 ZINC001410433199 1197878427 /nfs/dbraw/zinc/87/84/27/1197878427.db2.gz YPFJJTRIKYUXQX-ROUUACIJSA-N 1 3 346.519 2.449 10 0 EEAEHO COC(=O)c1cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1C ZINC000872144287 1198052977 /nfs/dbraw/zinc/05/29/77/1198052977.db2.gz FPPSXICKMOBJAL-RBUKOAKNSA-N 1 3 346.471 2.500 10 0 EEAEHO Cc1ccc(NC(=O)NC(=O)CN(C)CCCCCC[NH3+])cc1C ZINC000872155626 1198063019 /nfs/dbraw/zinc/06/30/19/1198063019.db2.gz WXOROAZZRNICRG-UHFFFAOYSA-N 1 3 334.464 2.402 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2N(C)C)[C@H]1C ZINC001410864175 1198514628 /nfs/dbraw/zinc/51/46/28/1198514628.db2.gz QGHZZIMMQPNICU-AEFFLSMTSA-N 1 3 346.519 2.172 10 0 EEAEHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870908043 1200945510 /nfs/dbraw/zinc/94/55/10/1200945510.db2.gz DQSPLKYRXPBZFG-UHFFFAOYSA-N 1 3 333.451 2.248 10 0 EEAEHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCCCC(F)(F)F ZINC001274261055 1204978096 /nfs/dbraw/zinc/97/80/96/1204978096.db2.gz ORLXRJNCSCOXAT-YPMHNXCESA-N 1 3 332.370 2.121 10 0 EEAEHO CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C(C)(C)C1 ZINC001274437868 1205036059 /nfs/dbraw/zinc/03/60/59/1205036059.db2.gz YCNXLGKFUQCEEE-DLBZAZTESA-N 1 3 339.524 2.112 10 0 EEAEHO CCOCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C(C)(C)C1 ZINC001274437868 1205036061 /nfs/dbraw/zinc/03/60/61/1205036061.db2.gz YCNXLGKFUQCEEE-DLBZAZTESA-N 1 3 339.524 2.112 10 0 EEAEHO COc1cc(C)ccc1[C@@H](C)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851534 1206160882 /nfs/dbraw/zinc/16/08/82/1206160882.db2.gz FZFXXKAWEYXZCM-CABCVRRESA-N 1 3 332.444 2.340 10 0 EEAEHO Cc1ccc2c(c1)OCCC[C@@H]2NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855226 1206161213 /nfs/dbraw/zinc/16/12/13/1206161213.db2.gz TUMSPVCYTCIZGE-WBVHZDCISA-N 1 3 344.455 2.484 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc(Cl)n1 ZINC000827837849 1248818357 /nfs/dbraw/zinc/81/83/57/1248818357.db2.gz MJQSSGAWDYPJHR-ZFWWWQNUSA-N 1 3 338.883 2.280 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc(Cl)n1 ZINC000827837849 1248818361 /nfs/dbraw/zinc/81/83/61/1248818361.db2.gz MJQSSGAWDYPJHR-ZFWWWQNUSA-N 1 3 338.883 2.280 10 0 EEAEHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@@H]1COc2ccccc2C1 ZINC000902981923 1239261916 /nfs/dbraw/zinc/26/19/16/1239261916.db2.gz SKDCHHIXDRLINC-AEFFLSMTSA-N 1 3 331.504 2.242 10 0 EEAEHO COC(=O)c1ccc(N2CCN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)s1 ZINC000903926372 1242525300 /nfs/dbraw/zinc/52/53/00/1242525300.db2.gz LHIPGMPLMJBVDX-GOOCMWNKSA-N 1 3 349.500 2.187 10 0 EEAEHO Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cnn1C ZINC000903932920 1242555491 /nfs/dbraw/zinc/55/54/91/1242555491.db2.gz IDSLFOXPBAKFJF-AOIWGVFYSA-N 1 3 334.508 2.127 10 0 EEAEHO Cc1c(C[C@H](CN)C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cnn1C ZINC000903932920 1242555510 /nfs/dbraw/zinc/55/55/10/1242555510.db2.gz IDSLFOXPBAKFJF-AOIWGVFYSA-N 1 3 334.508 2.127 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@H]([C@@H]3CCCCO3)C2)cnn1C ZINC000903932920 1242555520 /nfs/dbraw/zinc/55/55/20/1242555520.db2.gz IDSLFOXPBAKFJF-AOIWGVFYSA-N 1 3 334.508 2.127 10 0 EEAEHO Cn1cc(-c2ccc(C[NH2+]C[C@H]3CNCCC3(F)F)s2)cn1 ZINC000903958385 1242724275 /nfs/dbraw/zinc/72/42/75/1242724275.db2.gz ZDGQVWLTFMIBEV-GFCCVEGCSA-N 1 3 326.416 2.483 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]2CN(Cc3ocnc3C)CC[C@@H]21 ZINC001490983103 1258537360 /nfs/dbraw/zinc/53/73/60/1258537360.db2.gz NQXZGAYPMGKCPM-SJORKVTESA-N 1 3 348.491 2.138 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]2CN(Cc3ocnc3C)CC[C@@H]21 ZINC001490983103 1258537363 /nfs/dbraw/zinc/53/73/63/1258537363.db2.gz NQXZGAYPMGKCPM-SJORKVTESA-N 1 3 348.491 2.138 10 0 EEAEHO CC[C@@H](F)C[NH2+]C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001491181878 1258747153 /nfs/dbraw/zinc/74/71/53/1258747153.db2.gz RUYRXVXAPLBONR-DLBZAZTESA-N 1 3 327.488 2.295 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCOC(C)C)CC(C)(C)C1 ZINC001489350682 1290535628 /nfs/dbraw/zinc/53/56/28/1290535628.db2.gz YKBSHGPAZAJRMJ-QGZVFWFLSA-N 1 3 341.540 2.360 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCOC(C)C)CC(C)(C)C1 ZINC001489350682 1290535633 /nfs/dbraw/zinc/53/56/33/1290535633.db2.gz YKBSHGPAZAJRMJ-QGZVFWFLSA-N 1 3 341.540 2.360 10 0 EEAEHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852888180 1292226441 /nfs/dbraw/zinc/22/64/41/1292226441.db2.gz UMAMZSHULXWXCC-HNNXBMFYSA-N 1 3 328.460 2.033 10 0 EEAEHO Cc1nc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)sc1C ZINC000853823007 1292473552 /nfs/dbraw/zinc/47/35/52/1292473552.db2.gz XGSZQUWCTSNUQH-NSHDSACASA-N 1 3 327.498 2.153 10 0 EEAEHO Cc1nc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)sc1C ZINC000853823007 1292473560 /nfs/dbraw/zinc/47/35/60/1292473560.db2.gz XGSZQUWCTSNUQH-NSHDSACASA-N 1 3 327.498 2.153 10 0 EEAEHO CCN(C)Cc1cc(O[C@H]2CCN(C[C@H]3CCC[N@@H+]3C)C2)ccn1 ZINC000856583842 1293572315 /nfs/dbraw/zinc/57/23/15/1293572315.db2.gz AQUPHZNXASXWFG-MJGOQNOKSA-N 1 3 332.492 2.081 10 0 EEAEHO CCN(C)Cc1cc(O[C@H]2CCN(C[C@H]3CCC[N@H+]3C)C2)ccn1 ZINC000856583842 1293572319 /nfs/dbraw/zinc/57/23/19/1293572319.db2.gz AQUPHZNXASXWFG-MJGOQNOKSA-N 1 3 332.492 2.081 10 0 EEAEHO CCON(CC)C(=O)C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000858223731 1294051454 /nfs/dbraw/zinc/05/14/54/1294051454.db2.gz YQAJKRPKXWOKGU-UHFFFAOYSA-N 1 3 333.476 2.083 10 0 EEAEHO COC(=O)C1=CC[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000863542901 1296328082 /nfs/dbraw/zinc/32/80/82/1296328082.db2.gz UGDHXGTVCAQCAV-ZSZQSSIHSA-N 1 3 328.412 2.094 10 0 EEAEHO Cc1csc(CNCCC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001277334775 1302475190 /nfs/dbraw/zinc/47/51/90/1302475190.db2.gz APOSWAMUTZQPPI-DZGCQCFKSA-N 1 3 338.521 2.168 10 0 EEAEHO Cc1csc(CNCCC[C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001277334775 1302475195 /nfs/dbraw/zinc/47/51/95/1302475195.db2.gz APOSWAMUTZQPPI-DZGCQCFKSA-N 1 3 338.521 2.168 10 0 EEAEHO C[C@H]1C[C@H]([NH2+]CCOC2CCC2)CN1C(=O)CN(C)CC(C)(C)C ZINC001278402836 1310059117 /nfs/dbraw/zinc/05/91/17/1310059117.db2.gz DECLMWWVQKBXTO-HOTGVXAUSA-N 1 3 339.524 2.112 10 0 EEAEHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)n2)C1)N(C)C ZINC001264395543 1322689669 /nfs/dbraw/zinc/68/96/69/1322689669.db2.gz YADFSOHANIIPKL-VHDGCEQUSA-N 1 3 338.883 2.060 10 0 EEAEHO CCOCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001264495368 1322709904 /nfs/dbraw/zinc/70/99/04/1322709904.db2.gz HEOFMMZJSSHCBA-DLBZAZTESA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001266039918 1323590559 /nfs/dbraw/zinc/59/05/59/1323590559.db2.gz DMTPCMZDBVGRGH-HNNXBMFYSA-N 1 3 338.883 2.013 10 0 EEAEHO CCOCCN1CC=C(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001279654654 1323971844 /nfs/dbraw/zinc/97/18/44/1323971844.db2.gz WSCGUQPMZANDOK-UHFFFAOYSA-N 1 3 345.487 2.147 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCCC2CCOCC2)CCC1 ZINC001280534406 1324281685 /nfs/dbraw/zinc/28/16/85/1324281685.db2.gz WRCSFXUXYFPISN-UHFFFAOYSA-N 1 3 348.491 2.096 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@@H](C)CN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001283621464 1326166665 /nfs/dbraw/zinc/16/66/65/1326166665.db2.gz LNMOXIQLUFRDMN-KRWDZBQOSA-N 1 3 347.503 2.295 10 0 EEAEHO Cc1cccc(CCC[NH2+][C@H](C)CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001491579462 1330171936 /nfs/dbraw/zinc/17/19/36/1330171936.db2.gz LJOHZCWLZVTWOT-QZTJIDSGSA-N 1 3 331.504 2.364 10 0 EEAEHO Cc1cc(CN[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)sn1 ZINC001491685206 1330205408 /nfs/dbraw/zinc/20/54/08/1330205408.db2.gz YFKVLHJBQOBUSM-GOEBONIOSA-N 1 3 338.521 2.166 10 0 EEAEHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001492084670 1330992783 /nfs/dbraw/zinc/99/27/83/1330992783.db2.gz CDCUWMVANNHTBF-OCCSQVGLSA-N 1 3 326.872 2.060 10 0 EEAEHO CC[C@H](C(=O)N1CC2(C[C@H]1C)CC[NH+](CCCOC)CC2)N(C)C ZINC001316672189 1331165025 /nfs/dbraw/zinc/16/50/25/1331165025.db2.gz ZQLJZTYXDHUGPC-IAGOWNOFSA-N 1 3 339.524 2.066 10 0 EEAEHO CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001316769109 1331827777 /nfs/dbraw/zinc/82/77/77/1331827777.db2.gz FNFKCFGINNITQK-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCc1ccnc(Cl)c1 ZINC001317270658 1332160061 /nfs/dbraw/zinc/16/00/61/1332160061.db2.gz JLRUQMONWHRNSE-ZDUSSCGKSA-N 1 3 338.883 2.061 10 0 EEAEHO CN(CC[NH2+]Cc1ccc2ccccc2c1)C(=O)[C@H]1CCCN1C ZINC001317572182 1332303191 /nfs/dbraw/zinc/30/31/91/1332303191.db2.gz BARHRCDRDXEGQI-LJQANCHMSA-N 1 3 325.456 2.482 10 0 EEAEHO Cc1ncc(CNCCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)s1 ZINC001317635881 1332340197 /nfs/dbraw/zinc/34/01/97/1332340197.db2.gz IDFBNXUCKDXTEG-AWEZNQCLSA-N 1 3 338.521 2.264 10 0 EEAEHO Cc1cc(F)ccc1C[NH2+]CCN(C)C(=O)CN1CCC(C)CC1 ZINC001317642132 1332343799 /nfs/dbraw/zinc/34/37/99/1332343799.db2.gz PELMDIULYHFDOP-UHFFFAOYSA-N 1 3 335.467 2.414 10 0 EEAEHO CN(CCNCc1ccccc1C(F)(F)F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317660394 1332355556 /nfs/dbraw/zinc/35/55/56/1332355556.db2.gz CNKJFNOYUWTUSR-AWEZNQCLSA-N 1 3 343.393 2.205 10 0 EEAEHO CN(CCNCc1ccccc1C(F)(F)F)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317660394 1332355564 /nfs/dbraw/zinc/35/55/64/1332355564.db2.gz CNKJFNOYUWTUSR-AWEZNQCLSA-N 1 3 343.393 2.205 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](CC[NH2+]Cc3ccccn3)C2)C1 ZINC001318831828 1332606811 /nfs/dbraw/zinc/60/68/11/1332606811.db2.gz YCDBFHISPYYPNI-QZTJIDSGSA-N 1 3 344.503 2.142 10 0 EEAEHO Cc1cccc(C)c1OCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001319435281 1332700622 /nfs/dbraw/zinc/70/06/22/1332700622.db2.gz BYANAAFRTTYSPW-MSOLQXFVSA-N 1 3 347.503 2.213 10 0 EEAEHO COc1cccc([C@H](C)NC/C=C\CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001321335501 1333077307 /nfs/dbraw/zinc/07/73/07/1333077307.db2.gz HKXUGJQMHFSMNP-FEFZKZJHSA-N 1 3 345.487 2.360 10 0 EEAEHO COc1cccc([C@H](C)NC/C=C\CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001321335501 1333077309 /nfs/dbraw/zinc/07/73/09/1333077309.db2.gz HKXUGJQMHFSMNP-FEFZKZJHSA-N 1 3 345.487 2.360 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001322694048 1333308712 /nfs/dbraw/zinc/30/87/12/1333308712.db2.gz MXPOOVUAOTYUKO-CQSZACIVSA-N 1 3 338.883 2.015 10 0 EEAEHO COc1cc(C[NH2+]CCCN(C)C(=O)CN2CCCC2)ccc1C ZINC001322835049 1333337273 /nfs/dbraw/zinc/33/72/73/1333337273.db2.gz IWVKPZPNYOMUQJ-UHFFFAOYSA-N 1 3 333.476 2.038 10 0 EEAEHO O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[C@@H]1CNCCF ZINC001324213752 1333636321 /nfs/dbraw/zinc/63/63/21/1333636321.db2.gz RFRNBCJFAHJYAF-IAGOWNOFSA-N 1 3 325.472 2.334 10 0 EEAEHO O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC[C@@H]1CNCCF ZINC001324213752 1333636324 /nfs/dbraw/zinc/63/63/24/1333636324.db2.gz RFRNBCJFAHJYAF-IAGOWNOFSA-N 1 3 325.472 2.334 10 0 EEAEHO CCOCC[NH2+]C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C(C)(C)C ZINC001332861435 1335920788 /nfs/dbraw/zinc/92/07/88/1335920788.db2.gz SCLUJOUDCFAWTN-IRXDYDNUSA-N 1 3 341.540 2.408 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)CN(C)CC(C)(C)C)o1 ZINC001668214701 1355900651 /nfs/dbraw/zinc/90/06/51/1355900651.db2.gz NNGMTBVNODQGQB-ZDUSSCGKSA-N 1 3 338.496 2.254 10 0 EEAEHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CN(C)CC2(C)C)cc1 ZINC001434381043 1341834752 /nfs/dbraw/zinc/83/47/52/1341834752.db2.gz NHACVADPEQTUFV-GOSISDBHSA-N 1 3 347.503 2.477 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+](C)CCCOC)C1 ZINC001566746197 1342622353 /nfs/dbraw/zinc/62/23/53/1342622353.db2.gz CPUKHNOKJRIPIK-QZTJIDSGSA-N 1 3 339.524 2.068 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CCCOC)C1 ZINC001566746197 1342622356 /nfs/dbraw/zinc/62/23/56/1342622356.db2.gz CPUKHNOKJRIPIK-QZTJIDSGSA-N 1 3 339.524 2.068 10 0 EEAEHO CC(C)OCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001567104494 1342695144 /nfs/dbraw/zinc/69/51/44/1342695144.db2.gz PZNDPTVMGZECAO-ROUUACIJSA-N 1 3 339.524 2.255 10 0 EEAEHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1=CCN(CCOCC2CC2)CC1 ZINC001571700407 1343279947 /nfs/dbraw/zinc/27/99/47/1343279947.db2.gz BMDLMYJVPXBDKR-CALCHBBNSA-N 1 3 349.519 2.034 10 0 EEAEHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1=CCN(CCOCC2CC2)CC1 ZINC001571700407 1343279949 /nfs/dbraw/zinc/27/99/49/1343279949.db2.gz BMDLMYJVPXBDKR-CALCHBBNSA-N 1 3 349.519 2.034 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001676968942 1357251481 /nfs/dbraw/zinc/25/14/81/1357251481.db2.gz FDSWWPKMGYEHFY-VXGBXAGGSA-N 1 3 332.370 2.088 10 0 EEAEHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1CC[NH2+]Cc1cccnc1 ZINC001656447834 1354238329 /nfs/dbraw/zinc/23/83/29/1354238329.db2.gz KHQYULAKTFKBHK-QAPCUYQASA-N 1 3 341.459 2.154 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+]CCOC2CCC2)C1 ZINC001656908380 1354298373 /nfs/dbraw/zinc/29/83/73/1354298373.db2.gz GAPOZSFVHJXWKL-QGZVFWFLSA-N 1 3 339.524 2.257 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCCC[N@H+](CC2CC(F)(F)C2)C2CC2)C1 ZINC001660723610 1354526147 /nfs/dbraw/zinc/52/61/47/1354526147.db2.gz YJVZIOLYPUPIRA-AWEZNQCLSA-N 1 3 343.462 2.344 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCCC[N@@H+](CC2CC(F)(F)C2)C2CC2)C1 ZINC001660723610 1354526150 /nfs/dbraw/zinc/52/61/50/1354526150.db2.gz YJVZIOLYPUPIRA-AWEZNQCLSA-N 1 3 343.462 2.344 10 0 EEAEHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCCN(Cc1ccccn1)C1CC1 ZINC001660753267 1354532680 /nfs/dbraw/zinc/53/26/80/1354532680.db2.gz QBKKFAHNIVYKOO-IRXDYDNUSA-N 1 3 344.503 2.425 10 0 EEAEHO COCCCCN1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001661001478 1354572083 /nfs/dbraw/zinc/57/20/83/1354572083.db2.gz WPGNCZRIEMGLRK-INIZCTEOSA-N 1 3 339.524 2.257 10 0 EEAEHO COCCCCN1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001661001478 1354572089 /nfs/dbraw/zinc/57/20/89/1354572089.db2.gz WPGNCZRIEMGLRK-INIZCTEOSA-N 1 3 339.524 2.257 10 0 EEAEHO CCOCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCCN1CC ZINC001661972044 1354730737 /nfs/dbraw/zinc/73/07/37/1354730737.db2.gz MPPXXQKVTMQWAA-ROUUACIJSA-N 1 3 339.524 2.258 10 0 EEAEHO COCC[NH2+]CCC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001666263384 1355498845 /nfs/dbraw/zinc/49/88/45/1355498845.db2.gz RSQXRGPLQCOCNX-UHFFFAOYSA-N 1 3 347.503 2.227 10 0 EEAEHO Cc1csc(CNCC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)n1 ZINC001668163246 1355889508 /nfs/dbraw/zinc/88/95/08/1355889508.db2.gz NTBCYXHJFZYAHT-CYBMUJFWSA-N 1 3 338.521 2.310 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1CCOCC1 ZINC001668326567 1355923935 /nfs/dbraw/zinc/92/39/35/1355923935.db2.gz SBSYESBLAXGKGO-FUHWJXTLSA-N 1 3 339.524 2.162 10 0 EEAEHO CCN(CCNCc1cncc(F)c1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001668581171 1355967287 /nfs/dbraw/zinc/96/72/87/1355967287.db2.gz DWYCBBKMYPFEAX-ROUUACIJSA-N 1 3 348.466 2.176 10 0 EEAEHO CCN(CCNCc1cncc(F)c1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001668581171 1355967288 /nfs/dbraw/zinc/96/72/88/1355967288.db2.gz DWYCBBKMYPFEAX-ROUUACIJSA-N 1 3 348.466 2.176 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/CNCc2cnccc2C)C1 ZINC001668995261 1356063956 /nfs/dbraw/zinc/06/39/56/1356063956.db2.gz KDNCFBGGSDICBP-WRFKIARRSA-N 1 3 344.503 2.274 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)NC/C=C/CNCc2cnccc2C)C1 ZINC001668995261 1356063960 /nfs/dbraw/zinc/06/39/60/1356063960.db2.gz KDNCFBGGSDICBP-WRFKIARRSA-N 1 3 344.503 2.274 10 0 EEAEHO Cc1ccc(CNC/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1F ZINC001669026696 1356070535 /nfs/dbraw/zinc/07/05/35/1356070535.db2.gz FNKZCAKGXCZJLJ-HPFMTEOYSA-N 1 3 335.467 2.482 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCOc1ccccc1 ZINC001669411669 1356156715 /nfs/dbraw/zinc/15/67/15/1356156715.db2.gz RXPICEZBFUGORU-MJGOQNOKSA-N 1 3 347.503 2.423 10 0 EEAEHO CCc1ccc(CC[NH2+]C[C@@H](C)NC(=O)Cc2nc[nH]c2C)cc1 ZINC001669457920 1356162334 /nfs/dbraw/zinc/16/23/34/1356162334.db2.gz JKPFEARGHGSUSL-CQSZACIVSA-N 1 3 328.460 2.160 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNCc2conc2C)C1 ZINC001672805574 1356588319 /nfs/dbraw/zinc/58/83/19/1356588319.db2.gz NTALERXPQZVITP-AEFFLSMTSA-N 1 3 348.491 2.186 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNCc2conc2C)C1 ZINC001672805574 1356588323 /nfs/dbraw/zinc/58/83/23/1356588323.db2.gz NTALERXPQZVITP-AEFFLSMTSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1oncc1CNCC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001672840877 1356597795 /nfs/dbraw/zinc/59/77/95/1356597795.db2.gz ZNMFAZHVEVPMLN-INIZCTEOSA-N 1 3 348.491 2.186 10 0 EEAEHO CC[C@@H](C(=O)N1CCC2(CC1)CC[NH+](CCCOC)CC2)N(C)C ZINC001674294700 1356814937 /nfs/dbraw/zinc/81/49/37/1356814937.db2.gz SFAVFNMJMUCNHC-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO C[C@H](CC[NH2+]Cc1cccc(Cl)n1)NC(=O)C1(N(C)C)CCC1 ZINC001699107773 1405263144 /nfs/dbraw/zinc/26/31/44/1405263144.db2.gz WSFIBHPSQWJDDZ-CYBMUJFWSA-N 1 3 338.883 2.204 10 0 EEAEHO O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[C@H]2C[C@@H](C1)N(CCF)C2 ZINC001699976408 1405618331 /nfs/dbraw/zinc/61/83/31/1405618331.db2.gz ODUUIXPJXWPKIS-BBWFWOEESA-N 1 3 325.472 2.191 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)[C@@H](C)CC[NH+](C)C)cc2)CC1 ZINC001135598211 784049431 /nfs/dbraw/zinc/04/94/31/784049431.db2.gz YZPSZJXWWZGCFW-INIZCTEOSA-N 1 3 332.492 2.355 10 0 EEAEHO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2ccc(Nc3ccncc3)cc2)C1 ZINC000911928430 787815435 /nfs/dbraw/zinc/81/54/35/787815435.db2.gz KORGHCVYZPTWGA-LJQANCHMSA-N 1 3 340.427 2.032 10 0 EEAEHO C[N@H+]1CCC[C@@](O)(CC(=O)Nc2ccc(Nc3ccncc3)cc2)C1 ZINC000911928430 787815446 /nfs/dbraw/zinc/81/54/46/787815446.db2.gz KORGHCVYZPTWGA-LJQANCHMSA-N 1 3 340.427 2.032 10 0 EEAEHO C[C@@H](C(=O)Nc1cccc2ncccc21)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495549 789652187 /nfs/dbraw/zinc/65/21/87/789652187.db2.gz CDQJDXHGGWPWRS-QLFBSQMISA-N 1 3 326.444 2.479 10 0 EEAEHO C[C@@H]1CN(CC(=O)N(C)[C@@H]2CCCc3ccccc32)CC[C@@H]1C[NH3+] ZINC000923502044 789687255 /nfs/dbraw/zinc/68/72/55/789687255.db2.gz WMKJJLIMNOXOAT-SZVBFZGTSA-N 1 3 329.488 2.439 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)NC(C)(C)/C=C/Cl)CC2)CC1 ZINC000915501071 796288185 /nfs/dbraw/zinc/28/81/85/796288185.db2.gz YNZFNUQMJSGYHM-CMDGGOBGSA-N 1 3 342.915 2.375 10 0 EEAEHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](C)c1cnc(C)cn1 ZINC001566550447 1125721524 /nfs/dbraw/zinc/72/15/24/1125721524.db2.gz IOYPGPGOODJYDP-BRWVUGGUSA-N 1 3 347.507 2.014 10 0 EEAEHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](C)c1cnc(C)cn1 ZINC001566550447 1125721530 /nfs/dbraw/zinc/72/15/30/1125721530.db2.gz IOYPGPGOODJYDP-BRWVUGGUSA-N 1 3 347.507 2.014 10 0 EEAEHO Cc1ncccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001436411045 1087764861 /nfs/dbraw/zinc/76/48/61/1087764861.db2.gz FNMXWJYAVLFIJE-FUHWJXTLSA-N 1 3 332.492 2.105 10 0 EEAEHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1)C1CCC1 ZINC001436954804 1088642111 /nfs/dbraw/zinc/64/21/11/1088642111.db2.gz OYBZCVUWJUUIRH-CALCHBBNSA-N 1 3 340.471 2.389 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CCOCC1 ZINC001437217361 1089297649 /nfs/dbraw/zinc/29/76/49/1089297649.db2.gz UQDBHCRWESVIBI-SJLPKXTDSA-N 1 3 339.524 2.160 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001437716134 1090263867 /nfs/dbraw/zinc/26/38/67/1090263867.db2.gz XWAQXTLAWOUSLJ-ZBFHGGJFSA-N 1 3 341.496 2.366 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001437716134 1090263874 /nfs/dbraw/zinc/26/38/74/1090263874.db2.gz XWAQXTLAWOUSLJ-ZBFHGGJFSA-N 1 3 341.496 2.366 10 0 EEAEHO CCOC1CC(C[NH2+][C@H]2CC[C@H](NC(=O)CN(C)C(C)C)CC2)C1 ZINC001438445269 1090949392 /nfs/dbraw/zinc/94/93/92/1090949392.db2.gz UZADSGICPAWWJF-GFHJVICUSA-N 1 3 339.524 2.159 10 0 EEAEHO Cc1nsc(C)c1C[NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001438495493 1090993302 /nfs/dbraw/zinc/99/33/02/1090993302.db2.gz ADSRXTMIRYISSB-GFCCVEGCSA-N 1 3 338.521 2.086 10 0 EEAEHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001438537603 1091029276 /nfs/dbraw/zinc/02/92/76/1091029276.db2.gz CGKOKDPJZHHZEC-KSSFIOAISA-N 1 3 330.476 2.350 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCc2cnc(C)s2)CC[N@@H+]1C ZINC001438647616 1091131764 /nfs/dbraw/zinc/13/17/64/1091131764.db2.gz CEROLKHNAOBKQL-VBNZEHGJSA-N 1 3 338.521 2.118 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCc2cnc(C)s2)CC[N@H+]1C ZINC001438647616 1091131766 /nfs/dbraw/zinc/13/17/66/1091131766.db2.gz CEROLKHNAOBKQL-VBNZEHGJSA-N 1 3 338.521 2.118 10 0 EEAEHO C[C@H](CNCc1cncc(F)c1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001438668765 1091157758 /nfs/dbraw/zinc/15/77/58/1091157758.db2.gz VGMZOXFMFQQSJQ-RHSMWYFYSA-N 1 3 336.455 2.032 10 0 EEAEHO C[C@H](CNCc1cncc(F)c1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001438668765 1091157761 /nfs/dbraw/zinc/15/77/61/1091157761.db2.gz VGMZOXFMFQQSJQ-RHSMWYFYSA-N 1 3 336.455 2.032 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)CCC[C@@H]1CCOC1 ZINC001438939741 1091625205 /nfs/dbraw/zinc/62/52/05/1091625205.db2.gz UVYJVKIUSRMFFC-QZTJIDSGSA-N 1 3 339.524 2.068 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CCC[C@@H]1CCOC1 ZINC001438939741 1091625208 /nfs/dbraw/zinc/62/52/08/1091625208.db2.gz UVYJVKIUSRMFFC-QZTJIDSGSA-N 1 3 339.524 2.068 10 0 EEAEHO C[C@@H](CNCc1cnn(C(C)(C)C)c1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001439224167 1091869883 /nfs/dbraw/zinc/86/98/83/1091869883.db2.gz PBIAGSDIPHILMF-DOTOQJQBSA-N 1 3 349.523 2.107 10 0 EEAEHO C[C@@H](CNCc1cnn(C(C)(C)C)c1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001439224167 1091869890 /nfs/dbraw/zinc/86/98/90/1091869890.db2.gz PBIAGSDIPHILMF-DOTOQJQBSA-N 1 3 349.523 2.107 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1(C)CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC001439916481 1092992423 /nfs/dbraw/zinc/99/24/23/1092992423.db2.gz LHXJBPSSXHQRKL-IAGOWNOFSA-N 1 3 339.524 2.112 10 0 EEAEHO CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001439976554 1093097326 /nfs/dbraw/zinc/09/73/26/1093097326.db2.gz UQDJGRRENDGOEL-CABCVRRESA-N 1 3 331.451 2.202 10 0 EEAEHO CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001439976554 1093097335 /nfs/dbraw/zinc/09/73/35/1093097335.db2.gz UQDJGRRENDGOEL-CABCVRRESA-N 1 3 331.451 2.202 10 0 EEAEHO CN(CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCF)C[C@H]2C1)CC(C)(C)C ZINC001448469212 1093481744 /nfs/dbraw/zinc/48/17/44/1093481744.db2.gz KFIVQONXWWCYGJ-ARFHVFGLSA-N 1 3 327.488 2.151 10 0 EEAEHO CN(CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCF)C[C@H]2C1)CC(C)(C)C ZINC001448469212 1093481748 /nfs/dbraw/zinc/48/17/48/1093481748.db2.gz KFIVQONXWWCYGJ-ARFHVFGLSA-N 1 3 327.488 2.151 10 0 EEAEHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN(C)C3CCC3)C2)cc1 ZINC001448503047 1093529356 /nfs/dbraw/zinc/52/93/56/1093529356.db2.gz QFEVARNWZSHKGZ-IYARVYRRSA-N 1 3 329.488 2.464 10 0 EEAEHO CC[C@H](C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)N(C)C)OC ZINC001440722632 1093967503 /nfs/dbraw/zinc/96/75/03/1093967503.db2.gz SIQIYFDPODWACY-NXWXRZEISA-N 1 3 347.503 2.123 10 0 EEAEHO Cc1ccccc1CN1CC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001441203879 1094565280 /nfs/dbraw/zinc/56/52/80/1094565280.db2.gz JMJZNGBHKBGFBR-DLBZAZTESA-N 1 3 329.488 2.273 10 0 EEAEHO Cc1ccccc1CN1CC([C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001441203879 1094565294 /nfs/dbraw/zinc/56/52/94/1094565294.db2.gz JMJZNGBHKBGFBR-DLBZAZTESA-N 1 3 329.488 2.273 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]C/C=C/Cl)C1CC1 ZINC001441229458 1094608884 /nfs/dbraw/zinc/60/88/84/1094608884.db2.gz BKCCNAALHLEPJP-NJEVBOHQSA-N 1 3 327.900 2.486 10 0 EEAEHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc3c(c2)CCC3)C1)N(C)C ZINC001441354005 1094869180 /nfs/dbraw/zinc/86/91/80/1094869180.db2.gz PQMXGDUGPXMLET-NSISKUIASA-N 1 3 343.515 2.500 10 0 EEAEHO Cc1csc(C[NH2+][C@H](CCNC(=O)[C@@H]2CCCN2C)C(C)C)n1 ZINC001441398974 1094967429 /nfs/dbraw/zinc/96/74/29/1094967429.db2.gz AKPASVASXZRFCS-CABCVRRESA-N 1 3 338.521 2.166 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001441443032 1095067634 /nfs/dbraw/zinc/06/76/34/1095067634.db2.gz RQKKRPGLXUOGDL-WGSAOQKQSA-N 1 3 329.488 2.252 10 0 EEAEHO Cc1cccnc1CN1CCC[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001441578201 1095375598 /nfs/dbraw/zinc/37/55/98/1095375598.db2.gz DLHWXDPQXPMOHC-MSOLQXFVSA-N 1 3 344.503 2.060 10 0 EEAEHO Cc1cccnc1CN1CCC[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001441578201 1095375609 /nfs/dbraw/zinc/37/56/09/1095375609.db2.gz DLHWXDPQXPMOHC-MSOLQXFVSA-N 1 3 344.503 2.060 10 0 EEAEHO Cc1nsc(C)c1CN[C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001441837304 1095905797 /nfs/dbraw/zinc/90/57/97/1095905797.db2.gz NDNHOELBVPVKET-WFASDCNBSA-N 1 3 338.521 2.181 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001441854194 1095945544 /nfs/dbraw/zinc/94/55/44/1095945544.db2.gz FBBVOWOOITXFBP-SJLPKXTDSA-N 1 3 347.503 2.472 10 0 EEAEHO C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)NCc1cncs1 ZINC001442119934 1096354476 /nfs/dbraw/zinc/35/44/76/1096354476.db2.gz OGJMZAMIQWKIOW-CYBMUJFWSA-N 1 3 332.473 2.113 10 0 EEAEHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(C2CC2)cc1 ZINC001442744710 1097120828 /nfs/dbraw/zinc/12/08/28/1097120828.db2.gz LGFFMQPDOQCEBR-LJQANCHMSA-N 1 3 329.488 2.454 10 0 EEAEHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(C2CC2)cc1 ZINC001442744710 1097120830 /nfs/dbraw/zinc/12/08/30/1097120830.db2.gz LGFFMQPDOQCEBR-LJQANCHMSA-N 1 3 329.488 2.454 10 0 EEAEHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(OC)c2)C1)N(C)C ZINC001479476413 1098557115 /nfs/dbraw/zinc/55/71/15/1098557115.db2.gz SFHREYDZETZMAO-SCTDSRPQSA-N 1 3 347.503 2.410 10 0 EEAEHO COc1cccc([C@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc2nc[nH]c2C)c1 ZINC001444427884 1099052454 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EEAEHO CC[C@@H](F)C[NH2+]CC[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001495363452 1101078427 /nfs/dbraw/zinc/07/84/27/1101078427.db2.gz NIKLNVAHCCSVMC-HZPDHXFCSA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1ccncc1CN1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001446684267 1101237842 /nfs/dbraw/zinc/23/78/42/1101237842.db2.gz WBRSBBVSBCUBHE-IBGZPJMESA-N 1 3 332.492 2.060 10 0 EEAEHO CCCN(C)CC(=O)N1CCC2(CC[N@H+](CCCOCC)C2)CC1 ZINC001495602234 1101314595 /nfs/dbraw/zinc/31/45/95/1101314595.db2.gz HCJPIPRGOXQHFN-UHFFFAOYSA-N 1 3 339.524 2.069 10 0 EEAEHO CCCN(C)CC(=O)N1CCC2(CC[N@@H+](CCCOCC)C2)CC1 ZINC001495602234 1101314611 /nfs/dbraw/zinc/31/46/11/1101314611.db2.gz HCJPIPRGOXQHFN-UHFFFAOYSA-N 1 3 339.524 2.069 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CCc2ccccc2)C1 ZINC001446939315 1101626114 /nfs/dbraw/zinc/62/61/14/1101626114.db2.gz HGHDWHPGDGHZPH-IEBWSBKVSA-N 1 3 331.504 2.396 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)CN(C)C1CCC1 ZINC001497204468 1102122932 /nfs/dbraw/zinc/12/29/32/1102122932.db2.gz DPTPGVCSVPDKTP-ZDUSSCGKSA-N 1 3 339.430 2.434 10 0 EEAEHO C[C@H](CCNCc1cccc(F)c1F)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497304086 1102285311 /nfs/dbraw/zinc/28/53/11/1102285311.db2.gz MIAMYUMDKNBLCB-ZIAGYGMSSA-N 1 3 339.430 2.291 10 0 EEAEHO C[C@H](CCNCc1cccc(F)c1F)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001497304086 1102285315 /nfs/dbraw/zinc/28/53/15/1102285315.db2.gz MIAMYUMDKNBLCB-ZIAGYGMSSA-N 1 3 339.430 2.291 10 0 EEAEHO Cc1cc(CNC/C=C\CNC(=O)C23CCC[NH+]2CCC3)cs1 ZINC001497625134 1102769994 /nfs/dbraw/zinc/76/99/94/1102769994.db2.gz ZXGXQFHCBRFRBM-IHWYPQMZSA-N 1 3 333.501 2.447 10 0 EEAEHO Cc1oncc1CNCC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001448224429 1104209158 /nfs/dbraw/zinc/20/91/58/1104209158.db2.gz AEARYGRSWCBIFU-MRXNPFEDSA-N 1 3 348.491 2.234 10 0 EEAEHO Cc1oncc1CNCC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001448224429 1104209161 /nfs/dbraw/zinc/20/91/61/1104209161.db2.gz AEARYGRSWCBIFU-MRXNPFEDSA-N 1 3 348.491 2.234 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)cc2F)C1 ZINC001480682731 1106876068 /nfs/dbraw/zinc/87/60/68/1106876068.db2.gz HMPCCMKASIQHDT-AWEZNQCLSA-N 1 3 339.430 2.243 10 0 EEAEHO COCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001493139450 1107580737 /nfs/dbraw/zinc/58/07/37/1107580737.db2.gz GRGWBQGIOODVFQ-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO COCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001493139450 1107580747 /nfs/dbraw/zinc/58/07/47/1107580747.db2.gz GRGWBQGIOODVFQ-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO Cc1nc(C)c(C[N@H+]2CC[C@@H](CNC(=O)CN(C)C(C)C)C2)s1 ZINC001493266582 1107811285 /nfs/dbraw/zinc/81/12/85/1107811285.db2.gz HVRRYUMWNQGBKZ-HNNXBMFYSA-N 1 3 338.521 2.038 10 0 EEAEHO Cc1nc(C)c(C[N@@H+]2CC[C@@H](CNC(=O)CN(C)C(C)C)C2)s1 ZINC001493266582 1107811310 /nfs/dbraw/zinc/81/13/10/1107811310.db2.gz HVRRYUMWNQGBKZ-HNNXBMFYSA-N 1 3 338.521 2.038 10 0 EEAEHO CN(CC[NH2+]CC[C@@H]1CCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001493498863 1108237854 /nfs/dbraw/zinc/23/78/54/1108237854.db2.gz DUQYRGKWWSRODM-PKOBYXMFSA-N 1 3 329.488 2.249 10 0 EEAEHO CC[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1NCc1nocc1C ZINC001498904718 1108302369 /nfs/dbraw/zinc/30/23/69/1108302369.db2.gz WNLAYXFLICYGER-HOTGVXAUSA-N 1 3 336.480 2.042 10 0 EEAEHO CC[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1NCc1nocc1C ZINC001498904718 1108302384 /nfs/dbraw/zinc/30/23/84/1108302384.db2.gz WNLAYXFLICYGER-HOTGVXAUSA-N 1 3 336.480 2.042 10 0 EEAEHO CC[C@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCc2ccccc2C1)N(C)C ZINC001493764887 1108640944 /nfs/dbraw/zinc/64/09/44/1108640944.db2.gz ZMOBOXONPTVLCH-VQIMIIECSA-N 1 3 331.504 2.180 10 0 EEAEHO CCCCOCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001493836143 1108718774 /nfs/dbraw/zinc/71/87/74/1108718774.db2.gz GEGNHNBYHNIILW-SJLPKXTDSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001470212887 1110503091 /nfs/dbraw/zinc/50/30/91/1110503091.db2.gz YYWGRAIQTORQFE-GVDBMIGSSA-N 1 3 326.529 2.384 10 0 EEAEHO CC[C@@H]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001470212887 1110503093 /nfs/dbraw/zinc/50/30/93/1110503093.db2.gz YYWGRAIQTORQFE-GVDBMIGSSA-N 1 3 326.529 2.384 10 0 EEAEHO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)sn1 ZINC001479338091 1110682884 /nfs/dbraw/zinc/68/28/84/1110682884.db2.gz JIVLBQKRGFHSKT-LZWOXQAQSA-N 1 3 338.521 2.022 10 0 EEAEHO Cc1cccc(OCC[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC001499883209 1112528245 /nfs/dbraw/zinc/52/82/45/1112528245.db2.gz SULNZBREWLDVRX-MJGOQNOKSA-N 1 3 345.487 2.049 10 0 EEAEHO COCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001500496693 1112888573 /nfs/dbraw/zinc/88/85/73/1112888573.db2.gz XGFLTWQQRCNHFS-HKUYNNGSSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001500496693 1112888576 /nfs/dbraw/zinc/88/85/76/1112888576.db2.gz XGFLTWQQRCNHFS-HKUYNNGSSA-N 1 3 339.524 2.114 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNCc2cc(C)no2)C1 ZINC001501574577 1113387687 /nfs/dbraw/zinc/38/76/87/1113387687.db2.gz PJDKYUPHNPGGFK-WMZOPIPTSA-N 1 3 348.491 2.186 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNCc2cc(C)no2)C1 ZINC001501574577 1113387691 /nfs/dbraw/zinc/38/76/91/1113387691.db2.gz PJDKYUPHNPGGFK-WMZOPIPTSA-N 1 3 348.491 2.186 10 0 EEAEHO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001501651300 1113416021 /nfs/dbraw/zinc/41/60/21/1113416021.db2.gz NWTNZGPRVBGMNA-GOSISDBHSA-N 1 3 347.503 2.364 10 0 EEAEHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]C(C)C ZINC001505414354 1113948334 /nfs/dbraw/zinc/94/83/34/1113948334.db2.gz CISCFUKSADXPLD-KZNAEPCWSA-N 1 3 335.467 2.447 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC001506001659 1114333629 /nfs/dbraw/zinc/33/36/29/1114333629.db2.gz FWHDXCNJUYIBFC-DLBZAZTESA-N 1 3 343.515 2.454 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC001506001659 1114333635 /nfs/dbraw/zinc/33/36/35/1114333635.db2.gz FWHDXCNJUYIBFC-DLBZAZTESA-N 1 3 343.515 2.454 10 0 EEAEHO Cc1cccnc1CN1C[C@]2(C)CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001506869142 1114940086 /nfs/dbraw/zinc/94/00/86/1114940086.db2.gz RMCFIOXWPJYRCL-BGYRXZFFSA-N 1 3 344.503 2.012 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)CCC1 ZINC001506886640 1114950947 /nfs/dbraw/zinc/95/09/47/1114950947.db2.gz ODDAMYCGMLSZSS-HSFUPAIVSA-N 1 3 333.520 2.391 10 0 EEAEHO Cc1ncsc1C[N@@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001506975491 1115025118 /nfs/dbraw/zinc/02/51/18/1115025118.db2.gz GZRVMTOSLVQOLK-UHFFFAOYSA-N 1 3 338.521 2.215 10 0 EEAEHO Cc1ncsc1C[N@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001506975491 1115025120 /nfs/dbraw/zinc/02/51/20/1115025120.db2.gz GZRVMTOSLVQOLK-UHFFFAOYSA-N 1 3 338.521 2.215 10 0 EEAEHO Cc1ccc(F)c(CN[C@@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001507118180 1115117686 /nfs/dbraw/zinc/11/76/86/1115117686.db2.gz MARGZVUPKDZJIH-HNNXBMFYSA-N 1 3 335.467 2.412 10 0 EEAEHO CC(C)COCC[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001507326985 1115194241 /nfs/dbraw/zinc/19/42/41/1115194241.db2.gz OFBKODRRBYFSRB-IRXDYDNUSA-N 1 3 341.540 2.216 10 0 EEAEHO COCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001568105704 1124306063 /nfs/dbraw/zinc/30/60/63/1124306063.db2.gz VUXJUUUNVUCDPW-BZSNNMDCSA-N 1 3 339.524 2.303 10 0 EEAEHO Cc1oncc1C[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001568401752 1124471067 /nfs/dbraw/zinc/47/10/67/1124471067.db2.gz YBHHKNQGCUORJK-KRWDZBQOSA-N 1 3 336.480 2.184 10 0 EEAEHO C[NH+]1CCC(C(=O)NC/C=C/CNCc2ccc(Cl)cc2)CC1 ZINC001568911890 1124939580 /nfs/dbraw/zinc/93/95/80/1124939580.db2.gz IIEMFQNFLDDPBC-NSCUHMNNSA-N 1 3 335.879 2.444 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC[C@@H]1CC1(Cl)Cl)N(C)C ZINC001569017256 1125044825 /nfs/dbraw/zinc/04/48/25/1125044825.db2.gz FGPSAIXUSQMLRC-JHJVBQTASA-N 1 3 338.323 2.251 10 0 EEAEHO Cc1nc(CNCCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)sc1C ZINC001569257736 1125199338 /nfs/dbraw/zinc/19/93/38/1125199338.db2.gz KCHKRUNKODAPPI-OAHLLOKOSA-N 1 3 338.521 2.040 10 0 EEAEHO Cc1nc(CNCCCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)sc1C ZINC001569257736 1125199341 /nfs/dbraw/zinc/19/93/41/1125199341.db2.gz KCHKRUNKODAPPI-OAHLLOKOSA-N 1 3 338.521 2.040 10 0 EEAEHO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415965647 529886519 /nfs/dbraw/zinc/88/65/19/529886519.db2.gz ARTSRNRVNGGSOE-UHFFFAOYSA-N 1 3 334.439 2.421 10 0 EEAEHO CCCN1CC2(C[C@H]1C(=O)N(C)Cc1ccccn1)CC[NH+](C)CC2 ZINC000072477750 203232081 /nfs/dbraw/zinc/23/20/81/203232081.db2.gz QWZKODCYGDQQQU-SFHVURJKSA-N 1 3 344.503 2.236 10 0 EEAEHO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N1CCCN(C)CC1 ZINC000043091031 204211806 /nfs/dbraw/zinc/21/18/06/204211806.db2.gz KLFLRIAZVOBJKM-WFASDCNBSA-N 1 3 326.282 2.475 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000266089318 248088707 /nfs/dbraw/zinc/08/87/07/248088707.db2.gz ZBCATAWBJHBQJP-KRWDZBQOSA-N 1 3 345.487 2.185 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCC(O)CC1 ZINC000268804225 252256649 /nfs/dbraw/zinc/25/66/49/252256649.db2.gz BXSKGPNWEWULMD-WIYYLYMNSA-N 1 3 345.531 2.333 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])C2CCOCC2)N2CCCC2)cc1 ZINC000261626903 292253486 /nfs/dbraw/zinc/25/34/86/292253486.db2.gz CPCUZQCXWHOORA-OALUTQOASA-N 1 3 345.487 2.002 10 0 EEAEHO CC(C)N1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000271460157 274132261 /nfs/dbraw/zinc/13/22/61/274132261.db2.gz HKFVAVBVRLXHPH-BHIYHBOVSA-N 1 3 329.488 2.496 10 0 EEAEHO CC(C)N1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000271460157 274132264 /nfs/dbraw/zinc/13/22/64/274132264.db2.gz HKFVAVBVRLXHPH-BHIYHBOVSA-N 1 3 329.488 2.496 10 0 EEAEHO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@]3(CCN(C)C3)C2)c1C ZINC000292142945 275383615 /nfs/dbraw/zinc/38/36/15/275383615.db2.gz MQPGJTRLKCSBDV-QUCCMNQESA-N 1 3 332.488 2.379 10 0 EEAEHO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c1C ZINC000292142945 275383616 /nfs/dbraw/zinc/38/36/16/275383616.db2.gz MQPGJTRLKCSBDV-QUCCMNQESA-N 1 3 332.488 2.379 10 0 EEAEHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000170829106 276110041 /nfs/dbraw/zinc/11/00/41/276110041.db2.gz ZIVZFCFKGLHRKJ-GOSISDBHSA-N 1 3 332.492 2.374 10 0 EEAEHO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc4c(c3F)CCNC4)CC[C@H]21 ZINC000415952071 277082853 /nfs/dbraw/zinc/08/28/53/277082853.db2.gz GXEHEWMPDVWUPA-WMLDXEAASA-N 1 3 346.450 2.419 10 0 EEAEHO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc4c(c3F)CCNC4)CC[C@H]21 ZINC000415952071 277082855 /nfs/dbraw/zinc/08/28/55/277082855.db2.gz GXEHEWMPDVWUPA-WMLDXEAASA-N 1 3 346.450 2.419 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000340143364 277167508 /nfs/dbraw/zinc/16/75/08/277167508.db2.gz CRMFXWCLKZBHSF-YRXWBPOGSA-N 1 3 342.487 2.358 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000340143364 277167509 /nfs/dbraw/zinc/16/75/09/277167509.db2.gz CRMFXWCLKZBHSF-YRXWBPOGSA-N 1 3 342.487 2.358 10 0 EEAEHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000418579297 313851508 /nfs/dbraw/zinc/85/15/08/313851508.db2.gz RGDZTIIXFMPJFM-AEFFLSMTSA-N 1 3 332.492 2.066 10 0 EEAEHO CN(C)CCN1CCC([NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000440336624 315124192 /nfs/dbraw/zinc/12/41/92/315124192.db2.gz GNXPVJDJUBFZFD-UHFFFAOYSA-N 1 3 345.516 2.321 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC[N@@H+]1C ZINC000525620637 317063862 /nfs/dbraw/zinc/06/38/62/317063862.db2.gz CFXRLDLXEKIZLO-BHIYHBOVSA-N 1 3 344.503 2.235 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC[N@H+]1C ZINC000525620637 317063863 /nfs/dbraw/zinc/06/38/63/317063863.db2.gz CFXRLDLXEKIZLO-BHIYHBOVSA-N 1 3 344.503 2.235 10 0 EEAEHO O[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCCO1 ZINC000527950609 317291546 /nfs/dbraw/zinc/29/15/46/317291546.db2.gz AKRJBUYRXUJZJP-OUUBHVDSSA-N 1 3 330.472 2.312 10 0 EEAEHO O[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCO1 ZINC000527950609 317291550 /nfs/dbraw/zinc/29/15/50/317291550.db2.gz AKRJBUYRXUJZJP-OUUBHVDSSA-N 1 3 330.472 2.312 10 0 EEAEHO COc1cccc(OCCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530240482 317703401 /nfs/dbraw/zinc/70/34/01/317703401.db2.gz LXOAPLIAYXRIMC-LJQANCHMSA-N 1 3 334.460 2.165 10 0 EEAEHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N[C@H]1CNCCC1(F)F ZINC000563593439 319027097 /nfs/dbraw/zinc/02/70/97/319027097.db2.gz VIVWKKFFVGTWSV-CABCVRRESA-N 1 3 344.450 2.080 10 0 EEAEHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N[C@H]1CNCCC1(F)F ZINC000563593439 319027098 /nfs/dbraw/zinc/02/70/98/319027098.db2.gz VIVWKKFFVGTWSV-CABCVRRESA-N 1 3 344.450 2.080 10 0 EEAEHO COc1ccc(COC[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000566116949 319247476 /nfs/dbraw/zinc/24/74/76/319247476.db2.gz QZNKARDBYPDNBW-IPQPSQTFSA-N 1 3 348.487 2.178 10 0 EEAEHO COc1ccc(COC[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000566116949 319247479 /nfs/dbraw/zinc/24/74/79/319247479.db2.gz QZNKARDBYPDNBW-IPQPSQTFSA-N 1 3 348.487 2.178 10 0 EEAEHO C[C@@H]1CCNCC[C@H]1[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000576815025 320206200 /nfs/dbraw/zinc/20/62/00/320206200.db2.gz VVRJPFYLTMFIBL-XOKHGSTOSA-N 1 3 343.450 2.377 10 0 EEAEHO CNC(=O)[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)Cc1ccc(F)cc1C ZINC000580952206 324157683 /nfs/dbraw/zinc/15/76/83/324157683.db2.gz NRZICTZXMKIVMU-SKDZVZGDSA-N 1 3 335.467 2.017 10 0 EEAEHO C[C@H](NC(=O)N[C@@H](Cc1ccccc1)CN(C)C)C(C)(C)C[NH+](C)C ZINC000085393888 462544227 /nfs/dbraw/zinc/54/42/27/462544227.db2.gz RUWNBTVDSITQQS-WMZOPIPTSA-N 1 3 348.535 2.435 10 0 EEAEHO CCC[N@H+](CC)CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179194080 464079384 /nfs/dbraw/zinc/07/93/84/464079384.db2.gz SWQGUKJHJYRKEB-ZWKOTPCHSA-N 1 3 332.492 2.463 10 0 EEAEHO CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179194080 464079387 /nfs/dbraw/zinc/07/93/87/464079387.db2.gz SWQGUKJHJYRKEB-ZWKOTPCHSA-N 1 3 332.492 2.463 10 0 EEAEHO C[C@@H](CCNC(=O)NC[C@@H]1CCCN1C)[N@H+](C)Cc1ccccc1 ZINC000175385843 464537648 /nfs/dbraw/zinc/53/76/48/464537648.db2.gz AJEWQYPNKUUWMF-WMZOPIPTSA-N 1 3 332.492 2.290 10 0 EEAEHO C[C@@H](CCNC(=O)NC[C@@H]1CCCN1C)[N@@H+](C)Cc1ccccc1 ZINC000175385843 464537653 /nfs/dbraw/zinc/53/76/53/464537653.db2.gz AJEWQYPNKUUWMF-WMZOPIPTSA-N 1 3 332.492 2.290 10 0 EEAEHO CC1(C)OCC[C@H]1NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000295259076 464764677 /nfs/dbraw/zinc/76/46/77/464764677.db2.gz RFPDNUZFXLYBPV-GOSISDBHSA-N 1 3 345.487 2.056 10 0 EEAEHO CCS[C@H]1CC[C@@H](N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000362384029 465695492 /nfs/dbraw/zinc/69/54/92/465695492.db2.gz CQCUBJBXBQLLMV-SJORKVTESA-N 1 3 339.549 2.335 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000362469889 465764699 /nfs/dbraw/zinc/76/46/99/465764699.db2.gz DATKAAFXRSXZEA-XDNAFOTISA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000362469889 465764703 /nfs/dbraw/zinc/76/47/03/465764703.db2.gz DATKAAFXRSXZEA-XDNAFOTISA-N 1 3 336.524 2.375 10 0 EEAEHO CN1CC[C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000353432752 465878122 /nfs/dbraw/zinc/87/81/22/465878122.db2.gz CKSNGTUJIVAVSP-PCCBWWKXSA-N 1 3 343.515 2.481 10 0 EEAEHO C[N@@H+]1CC[C@H](NCc2ccc(CN3CCOCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000353432752 465878127 /nfs/dbraw/zinc/87/81/27/465878127.db2.gz CKSNGTUJIVAVSP-PCCBWWKXSA-N 1 3 343.515 2.481 10 0 EEAEHO C[N@H+]1CC[C@H](NCc2ccc(CN3CCOCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000353432752 465878132 /nfs/dbraw/zinc/87/81/32/465878132.db2.gz CKSNGTUJIVAVSP-PCCBWWKXSA-N 1 3 343.515 2.481 10 0 EEAEHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCN2CCC1CC2)[NH+](C)C ZINC000357269550 465902544 /nfs/dbraw/zinc/90/25/44/465902544.db2.gz GNWMWYNUVJLDGZ-VQIMIIECSA-N 1 3 344.503 2.476 10 0 EEAEHO CCN1CCC[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000363083379 466210976 /nfs/dbraw/zinc/21/09/76/466210976.db2.gz SQZXEAPHIHVWFF-IBGZPJMESA-N 1 3 329.488 2.499 10 0 EEAEHO CN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349806808 466249546 /nfs/dbraw/zinc/24/95/46/466249546.db2.gz LBYLFQFRMGJBGI-MJGOQNOKSA-N 1 3 342.487 2.139 10 0 EEAEHO CN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000349806808 466249555 /nfs/dbraw/zinc/24/95/55/466249555.db2.gz LBYLFQFRMGJBGI-MJGOQNOKSA-N 1 3 342.487 2.139 10 0 EEAEHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(-c3cccnc3)n[nH]2)C[C@H](C)O1 ZINC000368452666 466640332 /nfs/dbraw/zinc/64/03/32/466640332.db2.gz DEVLRVIQSGBVFK-IYBDPMFKSA-N 1 3 343.475 2.451 10 0 EEAEHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](N)c2ccccc2)C1 ZINC000417049514 466764301 /nfs/dbraw/zinc/76/43/01/466764301.db2.gz UIPCUQHPDCTYED-AEFFLSMTSA-N 1 3 332.492 2.498 10 0 EEAEHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](N)c2ccccc2)C1 ZINC000417049514 466764305 /nfs/dbraw/zinc/76/43/05/466764305.db2.gz UIPCUQHPDCTYED-AEFFLSMTSA-N 1 3 332.492 2.498 10 0 EEAEHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417656895 466900568 /nfs/dbraw/zinc/90/05/68/466900568.db2.gz VMTAHAJDIRITIW-RBUKOAKNSA-N 1 3 342.487 2.187 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000418586111 467132276 /nfs/dbraw/zinc/13/22/76/467132276.db2.gz ZJMRCENHAVONGR-IEBWSBKVSA-N 1 3 346.519 2.190 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000378165863 467217476 /nfs/dbraw/zinc/21/74/76/467217476.db2.gz KVNDBJLPPMXMIV-WLRLJWMZSA-N 1 3 343.515 2.350 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](O)[C@H](C)C2)CC1 ZINC000428472050 467237002 /nfs/dbraw/zinc/23/70/02/467237002.db2.gz DZFRDQACOKDTJG-YLJYHZDGSA-N 1 3 331.504 2.421 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](O)[C@H](C)C2)CC1 ZINC000428472050 467237003 /nfs/dbraw/zinc/23/70/03/467237003.db2.gz DZFRDQACOKDTJG-YLJYHZDGSA-N 1 3 331.504 2.421 10 0 EEAEHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCCN2CCO)cc1 ZINC000452378847 467366920 /nfs/dbraw/zinc/36/69/20/467366920.db2.gz PRIKWHYBIXKBDM-IBGZPJMESA-N 1 3 347.503 2.105 10 0 EEAEHO CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000380143089 467371387 /nfs/dbraw/zinc/37/13/87/467371387.db2.gz GUQSFMHJJBLULL-MJGOQNOKSA-N 1 3 329.488 2.499 10 0 EEAEHO C[C@@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CCN1C ZINC000397499339 467442560 /nfs/dbraw/zinc/44/25/60/467442560.db2.gz FKHNNDSIJLRVTI-IEBWSBKVSA-N 1 3 331.504 2.086 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(C(C)(C)C)C3)CC2)CC1 ZINC000458107507 467769799 /nfs/dbraw/zinc/76/97/99/467769799.db2.gz DKDUNMAJYLIKIJ-UHFFFAOYSA-N 1 3 336.524 2.233 10 0 EEAEHO CCc1cc(CCC[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)on1 ZINC000450640950 467884447 /nfs/dbraw/zinc/88/44/47/467884447.db2.gz HKJKHXPKPZYUQD-QFBILLFUSA-N 1 3 334.508 2.127 10 0 EEAEHO CCc1cc(CCC[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)on1 ZINC000450640950 467884452 /nfs/dbraw/zinc/88/44/52/467884452.db2.gz HKJKHXPKPZYUQD-QFBILLFUSA-N 1 3 334.508 2.127 10 0 EEAEHO CCc1cc(CCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)on1 ZINC000450640950 467884456 /nfs/dbraw/zinc/88/44/56/467884456.db2.gz HKJKHXPKPZYUQD-QFBILLFUSA-N 1 3 334.508 2.127 10 0 EEAEHO O=C(C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1)N1CCCC1 ZINC000570402991 468634790 /nfs/dbraw/zinc/63/47/90/468634790.db2.gz LQEXLSZKVRKMPU-UHFFFAOYSA-N 1 3 327.472 2.167 10 0 EEAEHO CN(C)CCOc1cccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000560942774 468855272 /nfs/dbraw/zinc/85/52/72/468855272.db2.gz DJMMOEKCDOVJCN-IYBDPMFKSA-N 1 3 346.475 2.090 10 0 EEAEHO C[C@@H](C(=O)Nc1cccc2ncccc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000573005063 469040972 /nfs/dbraw/zinc/04/09/72/469040972.db2.gz AWKJOKQRTNQHKB-HRCADAONSA-N 1 3 338.455 2.493 10 0 EEAEHO CCc1cc(N2CCC[C@H](N[C@@H]3CC[N@H+](C)C(C)(C)C3)C2)ncn1 ZINC000623416586 469650230 /nfs/dbraw/zinc/65/02/30/469650230.db2.gz ACKJHWLFYXRTCP-SJORKVTESA-N 1 3 331.508 2.470 10 0 EEAEHO CCc1cc(N2CCC[C@H](N[C@@H]3CC[N@@H+](C)C(C)(C)C3)C2)ncn1 ZINC000623416586 469650234 /nfs/dbraw/zinc/65/02/34/469650234.db2.gz ACKJHWLFYXRTCP-SJORKVTESA-N 1 3 331.508 2.470 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)c(F)c1 ZINC000617506748 469705140 /nfs/dbraw/zinc/70/51/40/469705140.db2.gz XZAFSBOHQQGDNS-LBPRGKRZSA-N 1 3 329.847 2.481 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)c(F)c1 ZINC000617506748 469705144 /nfs/dbraw/zinc/70/51/44/469705144.db2.gz XZAFSBOHQQGDNS-LBPRGKRZSA-N 1 3 329.847 2.481 10 0 EEAEHO CC(C)c1ncc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000617506682 469705574 /nfs/dbraw/zinc/70/55/74/469705574.db2.gz VYNAGINPBZFOFC-ZDUSSCGKSA-N 1 3 326.510 2.268 10 0 EEAEHO CC(C)c1ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000617506682 469705577 /nfs/dbraw/zinc/70/55/77/469705577.db2.gz VYNAGINPBZFOFC-ZDUSSCGKSA-N 1 3 326.510 2.268 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000626916431 469753486 /nfs/dbraw/zinc/75/34/86/469753486.db2.gz CXZNQUBCSZZHFY-RCCFBDPRSA-N 1 3 330.476 2.263 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000626979047 469775679 /nfs/dbraw/zinc/77/56/79/469775679.db2.gz OMACSAMBELZONN-CGTJXYLNSA-N 1 3 330.476 2.263 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000626984537 469778244 /nfs/dbraw/zinc/77/82/44/469778244.db2.gz HWERLJGCVUMIBS-AYDFFVQHSA-N 1 3 336.505 2.181 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)NC[C@H](C)[NH+]3CCCC3)cc2)CC1 ZINC000608352101 469805677 /nfs/dbraw/zinc/80/56/77/469805677.db2.gz UGSSUCOAZLJUMA-KRWDZBQOSA-N 1 3 344.503 2.043 10 0 EEAEHO CCN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@@H]1CCN(CC)C1 ZINC000617924282 469839785 /nfs/dbraw/zinc/83/97/85/469839785.db2.gz RLLCCMFCURPHIH-SJORKVTESA-N 1 3 339.549 2.147 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C[NH2+]1 ZINC000627199678 469841383 /nfs/dbraw/zinc/84/13/83/469841383.db2.gz AXWASLUJORUYOU-AOIWGVFYSA-N 1 3 344.503 2.433 10 0 EEAEHO CN1CCOC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000624177182 469865695 /nfs/dbraw/zinc/86/56/95/469865695.db2.gz ZINWIAHNWSGRGI-BURNTYAHSA-N 1 3 343.515 2.350 10 0 EEAEHO CN1CCOC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000624177182 469865700 /nfs/dbraw/zinc/86/57/00/469865700.db2.gz ZINWIAHNWSGRGI-BURNTYAHSA-N 1 3 343.515 2.350 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000630845944 470010485 /nfs/dbraw/zinc/01/04/85/470010485.db2.gz GLNHDYUDNSJULW-ZWKOTPCHSA-N 1 3 335.467 2.446 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000630845944 470010488 /nfs/dbraw/zinc/01/04/88/470010488.db2.gz GLNHDYUDNSJULW-ZWKOTPCHSA-N 1 3 335.467 2.446 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(C)(c2ccccc2)C1 ZINC000621531914 470063003 /nfs/dbraw/zinc/06/30/03/470063003.db2.gz MJYMEGGEZFXTCT-KRWDZBQOSA-N 1 3 346.519 2.242 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(C)(c2ccccc2)C1 ZINC000621531914 470063006 /nfs/dbraw/zinc/06/30/06/470063006.db2.gz MJYMEGGEZFXTCT-KRWDZBQOSA-N 1 3 346.519 2.242 10 0 EEAEHO CN(c1ccccc1C[NH2+]CC[C@@H](O)C(F)F)C1CCN(C)CC1 ZINC000631215803 470095581 /nfs/dbraw/zinc/09/55/81/470095581.db2.gz AKDNTGHQBPELHH-QGZVFWFLSA-N 1 3 341.446 2.323 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(C(F)F)c1F ZINC000625287604 470112967 /nfs/dbraw/zinc/11/29/67/470112967.db2.gz LCRFWEGZMWPPMK-UHFFFAOYSA-N 1 3 331.382 2.329 10 0 EEAEHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000646190133 470559499 /nfs/dbraw/zinc/55/94/99/470559499.db2.gz VGQFRJKJVVOKFX-LZLYRXPVSA-N 1 3 330.476 2.127 10 0 EEAEHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cccc3c2OCCO3)C1 ZINC000650722474 470950884 /nfs/dbraw/zinc/95/08/84/470950884.db2.gz UTTGXNBDQISFPB-SOLBZPMBSA-N 1 3 332.444 2.319 10 0 EEAEHO C[C@@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)C1 ZINC000654851976 471203182 /nfs/dbraw/zinc/20/31/82/471203182.db2.gz NSOXJSLDWSOWJY-QZTJIDSGSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)C1 ZINC000654851976 471203189 /nfs/dbraw/zinc/20/31/89/471203189.db2.gz NSOXJSLDWSOWJY-QZTJIDSGSA-N 1 3 329.488 2.451 10 0 EEAEHO C[NH2+]Cc1ccccc1CNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000652185799 471252729 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2.257 10 0 EEAEHO C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCN(C/C=C/Cl)C1 ZINC001483802853 1191044624 /nfs/dbraw/zinc/04/46/24/1191044624.db2.gz VWOCSOBSVPSKAW-IBBQAADRSA-N 1 3 327.900 2.394 10 0 EEAEHO CN(C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCOC2CCC2)C3)CCC1 ZINC001484316574 1191300740 /nfs/dbraw/zinc/30/07/40/1191300740.db2.gz QAOPMEIDVUEYPA-BBWFWOEESA-N 1 3 349.519 2.009 10 0 EEAEHO CN(C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCOC2CCC2)C3)CCC1 ZINC001484316574 1191300742 /nfs/dbraw/zinc/30/07/42/1191300742.db2.gz QAOPMEIDVUEYPA-BBWFWOEESA-N 1 3 349.519 2.009 10 0 EEAEHO Cc1ccc(C[NH2+]C2(CNC(=O)CN3CC[C@H](C)C3)CCC2)c(C)n1 ZINC001484653347 1191457209 /nfs/dbraw/zinc/45/72/09/1191457209.db2.gz PBFAGGFZGYXKPW-HNNXBMFYSA-N 1 3 344.503 2.169 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCOCC(C)C)CC1(C)C)N(C)C ZINC001484940528 1191586444 /nfs/dbraw/zinc/58/64/44/1191586444.db2.gz ODVSQCZTHLUBQD-DLBZAZTESA-N 1 3 341.540 2.216 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCOCC(C)C)CC1(C)C)N(C)C ZINC001484940528 1191586446 /nfs/dbraw/zinc/58/64/46/1191586446.db2.gz ODVSQCZTHLUBQD-DLBZAZTESA-N 1 3 341.540 2.216 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CC2CC(F)(F)C2)[C@@H](C)C1 ZINC001484988171 1191604109 /nfs/dbraw/zinc/60/41/09/1191604109.db2.gz QVODGFKREWMMAU-ZFWWWQNUSA-N 1 3 331.451 2.341 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CC2CC(F)(F)C2)[C@@H](C)C1 ZINC001484988171 1191604111 /nfs/dbraw/zinc/60/41/11/1191604111.db2.gz QVODGFKREWMMAU-ZFWWWQNUSA-N 1 3 331.451 2.341 10 0 EEAEHO CCCN(C)CC(=O)N1CCOC2(CC[NH+](CCC(C)C)CC2)C1 ZINC001485007747 1191613295 /nfs/dbraw/zinc/61/32/95/1191613295.db2.gz LVWARNAUYUAMLD-UHFFFAOYSA-N 1 3 339.524 2.068 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CCc2ccccc2)C1 ZINC001485069273 1191636937 /nfs/dbraw/zinc/63/69/37/1191636937.db2.gz LJVIILOMURGWGF-UYAOXDASSA-N 1 3 343.515 2.494 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CCc2ccccc2)C1 ZINC001485069273 1191636939 /nfs/dbraw/zinc/63/69/39/1191636939.db2.gz LJVIILOMURGWGF-UYAOXDASSA-N 1 3 343.515 2.494 10 0 EEAEHO CO[C@@H](C[N@H+](C)CCN(C(=O)[C@@H]1CCCN1C)C(C)C)C1CCC1 ZINC001486365357 1193864947 /nfs/dbraw/zinc/86/49/47/1193864947.db2.gz SRGOAWMATOUOSD-ROUUACIJSA-N 1 3 339.524 2.065 10 0 EEAEHO CO[C@@H](C[N@@H+](C)CCN(C(=O)[C@@H]1CCCN1C)C(C)C)C1CCC1 ZINC001486365357 1193864952 /nfs/dbraw/zinc/86/49/52/1193864952.db2.gz SRGOAWMATOUOSD-ROUUACIJSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000810367292 1199451444 /nfs/dbraw/zinc/45/14/44/1199451444.db2.gz JEEYZMQQIFEQHA-QAPCUYQASA-N 1 3 325.472 2.286 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NCCC[NH+]2CCCCC2)cc(Cl)n1 ZINC000825985303 1199986202 /nfs/dbraw/zinc/98/62/02/1199986202.db2.gz GIIYZFYFNRYAND-HNNXBMFYSA-N 1 3 338.883 2.426 10 0 EEAEHO CC(C)(C)[C@]1(CN)CC[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000866703226 1201584740 /nfs/dbraw/zinc/58/47/40/1201584740.db2.gz GTMPDXOXKNXUMY-IBGZPJMESA-N 1 3 347.459 2.441 10 0 EEAEHO CC(C)(C)[C@]1(CN)CC[N@@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000866703226 1201584744 /nfs/dbraw/zinc/58/47/44/1201584744.db2.gz GTMPDXOXKNXUMY-IBGZPJMESA-N 1 3 347.459 2.441 10 0 EEAEHO CC(C)c1ccc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866708596 1201586419 /nfs/dbraw/zinc/58/64/19/1201586419.db2.gz OZLNGNQALMRUNH-KSZLIROESA-N 1 3 329.444 2.177 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1([C@H]2CCCCO2)CCC1 ZINC000869238362 1201971491 /nfs/dbraw/zinc/97/14/91/1201971491.db2.gz ZJQZEMPZERAABD-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1([C@H]2CCCCO2)CCC1 ZINC000869238362 1201971494 /nfs/dbraw/zinc/97/14/94/1201971494.db2.gz ZJQZEMPZERAABD-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO C[NH+](C)CC1(C(=O)NC/C=C/CN[C@H]2CCc3ccc(F)cc32)CC1 ZINC001274318225 1204996184 /nfs/dbraw/zinc/99/61/84/1204996184.db2.gz MJFPNTYQJIGTQK-WHLIDYPQSA-N 1 3 345.462 2.417 10 0 EEAEHO CN(C)C1(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CCCC1 ZINC001412484526 1205737988 /nfs/dbraw/zinc/73/79/88/1205737988.db2.gz WQXZXKGDLIPFNK-UHFFFAOYSA-N 1 3 346.475 2.390 10 0 EEAEHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)C(C)(C)CO)CC1 ZINC000924694884 1206019831 /nfs/dbraw/zinc/01/98/31/1206019831.db2.gz OLUUHIHECOKMRL-QGZVFWFLSA-N 1 3 333.520 2.321 10 0 EEAEHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)c1 ZINC000924931810 1206052124 /nfs/dbraw/zinc/05/21/24/1206052124.db2.gz LHSWEHQJTUGFRR-FRQCXROJSA-N 1 3 336.476 2.157 10 0 EEAEHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000925321573 1206096236 /nfs/dbraw/zinc/09/62/36/1206096236.db2.gz NDTBZPKOUZJSEZ-MAUKXSAKSA-N 1 3 332.492 2.372 10 0 EEAEHO Cc1cc(N2CCC[C@H](N[C@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)C2)n(C)n1 ZINC000925657693 1206140669 /nfs/dbraw/zinc/14/06/69/1206140669.db2.gz DPDBPLSHWSQAIO-MVJTYMMSSA-N 1 3 331.508 2.064 10 0 EEAEHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CCN(C(=O)Nc3ccccc3)C1)[NH2+]2 ZINC000925664240 1206141093 /nfs/dbraw/zinc/14/10/93/1206141093.db2.gz DNVCSQMWACYUGA-XNJHUCFUSA-N 1 3 328.460 2.411 10 0 EEAEHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)[NH2+]2 ZINC000925674188 1206142581 /nfs/dbraw/zinc/14/25/81/1206142581.db2.gz RMNRXDWKOOKBJU-VQJWOFKYSA-N 1 3 347.425 2.439 10 0 EEAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000925735632 1206147597 /nfs/dbraw/zinc/14/75/97/1206147597.db2.gz HRSWWPTZLDGGOK-YOEHRIQHSA-N 1 3 333.476 2.475 10 0 EEAEHO O=C1O[C@@H](CN[C@H]2CCCc3c(O)cccc32)CC12CC[NH2+]CC2 ZINC000925849363 1206160516 /nfs/dbraw/zinc/16/05/16/1206160516.db2.gz IQMGMFCLIYADOQ-CJNGLKHVSA-N 1 3 330.428 2.045 10 0 EEAEHO C(C1CCC2(CC1)OCCO2)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000931287072 1206622118 /nfs/dbraw/zinc/62/21/18/1206622118.db2.gz MHDNCOYIFUSVPJ-UHFFFAOYSA-N 1 3 338.492 2.106 10 0 EEAEHO C(C1CCC2(CC1)OCCO2)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931287072 1206622117 /nfs/dbraw/zinc/62/21/17/1206622117.db2.gz MHDNCOYIFUSVPJ-UHFFFAOYSA-N 1 3 338.492 2.106 10 0 EEAEHO C[C@@H]1CN(C(=O)c2cccc(CC[NH+](C)C)c2)CCN(C2CC2)C1 ZINC001413034713 1216937347 /nfs/dbraw/zinc/93/73/47/1216937347.db2.gz UNJNRZRPRCJALS-INIZCTEOSA-N 1 3 329.488 2.347 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NCC[NH+]2CCC(C)CC2)cc(Cl)n1 ZINC000827067628 1249738815 /nfs/dbraw/zinc/73/88/15/1249738815.db2.gz ODLNNJHRGYYIKG-HNNXBMFYSA-N 1 3 338.883 2.281 10 0 EEAEHO [NH3+][C@@H]1CC[C@H](CN2CCN(C(=O)Cc3ccccc3Cl)CC2)C1 ZINC000903433277 1240459552 /nfs/dbraw/zinc/45/95/52/1240459552.db2.gz YEOHZPOBTDQTMF-GOEBONIOSA-N 1 3 335.879 2.154 10 0 EEAEHO COc1ccc(-c2noc(CN3C[C@@H](C)[C@H](CC[NH3+])C3)n2)c(OC)c1 ZINC000903500178 1240688703 /nfs/dbraw/zinc/68/87/03/1240688703.db2.gz USEPWURDZMAOFU-CHWSQXEVSA-N 1 3 346.431 2.171 10 0 EEAEHO CCOc1cc(CNC[C@H](C[NH3+])Cc2cnn(C)c2C)ccc1OC ZINC000903921916 1242510209 /nfs/dbraw/zinc/51/02/09/1242510209.db2.gz SNFRYOUVRVZVLU-INIZCTEOSA-N 1 3 346.475 2.043 10 0 EEAEHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001491055121 1258623688 /nfs/dbraw/zinc/62/36/88/1258623688.db2.gz KUKGGVLMJUWYNF-YTQUADARSA-N 1 3 329.488 2.198 10 0 EEAEHO C[NH2+]CCCC(=O)N1CCC(N[C@H](C)c2cccnc2Cl)CC1 ZINC000854233175 1292681923 /nfs/dbraw/zinc/68/19/23/1292681923.db2.gz ZRMRUNZGJLFOSM-CYBMUJFWSA-N 1 3 338.883 2.376 10 0 EEAEHO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000863549201 1296330188 /nfs/dbraw/zinc/33/01/88/1296330188.db2.gz CTHDPJWXXONXHN-KSZLIROESA-N 1 3 345.418 2.070 10 0 EEAEHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CCc4nnn(C)c4C3)CC2)C1 ZINC000927149784 1297038496 /nfs/dbraw/zinc/03/84/96/1297038496.db2.gz IWCVOTHNYKCPSN-HYVNUMGLSA-N 1 3 331.508 2.305 10 0 EEAEHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]CC[C@@H]2CCCCO2)CCC1 ZINC001277866804 1304975164 /nfs/dbraw/zinc/97/51/64/1304975164.db2.gz YTDJJBSKPVWGNC-IRXDYDNUSA-N 1 3 337.508 2.011 10 0 EEAEHO COc1c(C)cc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000841069926 1315467325 /nfs/dbraw/zinc/46/73/25/1315467325.db2.gz GDXLOXBBYDQIQS-HNNXBMFYSA-N 1 3 345.409 2.238 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc(Cl)n1 ZINC000841850808 1315622827 /nfs/dbraw/zinc/62/28/27/1315622827.db2.gz DUTLNSFIDHZTGN-YOEHRIQHSA-N 1 3 336.867 2.035 10 0 EEAEHO CC(C)OCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001264433769 1322700957 /nfs/dbraw/zinc/70/09/57/1322700957.db2.gz NZIAHKCVVARPSM-KZNAEPCWSA-N 1 3 339.524 2.159 10 0 EEAEHO CCOCCCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001265294930 1323044080 /nfs/dbraw/zinc/04/40/80/1323044080.db2.gz MLRPNMOYFYOCDK-KRWDZBQOSA-N 1 3 339.524 2.116 10 0 EEAEHO CCOCC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001265596878 1323252972 /nfs/dbraw/zinc/25/29/72/1323252972.db2.gz LXJUBLHQAKXVIS-GOSISDBHSA-N 1 3 347.503 2.227 10 0 EEAEHO CCOCC[N@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001265596878 1323252981 /nfs/dbraw/zinc/25/29/81/1323252981.db2.gz LXJUBLHQAKXVIS-GOSISDBHSA-N 1 3 347.503 2.227 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001265626184 1323277448 /nfs/dbraw/zinc/27/74/48/1323277448.db2.gz PQZCAQICXHLDOZ-PYJQOMOHSA-N 1 3 338.455 2.494 10 0 EEAEHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001265945337 1323509035 /nfs/dbraw/zinc/50/90/35/1323509035.db2.gz JBRFOTKQENDXQU-IBGZPJMESA-N 1 3 329.488 2.296 10 0 EEAEHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccnc(Cl)c1 ZINC001266149574 1323718658 /nfs/dbraw/zinc/71/86/58/1323718658.db2.gz ZGYCANAEIHFYJX-CYBMUJFWSA-N 1 3 338.883 2.204 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@H](CC[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001280208030 1324115684 /nfs/dbraw/zinc/11/56/84/1324115684.db2.gz RFPJVWAYRKDDBP-KBPBESRZSA-N 1 3 340.418 2.216 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCOc2cccc(C)c2)[C@@H]1C ZINC001283924897 1326321968 /nfs/dbraw/zinc/32/19/68/1326321968.db2.gz BFAHAYPLXCMTQO-PKOBYXMFSA-N 1 3 347.503 2.295 10 0 EEAEHO C[C@@H]1[C@H]([NH2+]CCCc2ccccc2)CCN1C(=O)CN1CCCC1 ZINC001283937780 1326328605 /nfs/dbraw/zinc/32/86/05/1326328605.db2.gz DVNAYVMORBNXBT-IEBWSBKVSA-N 1 3 329.488 2.294 10 0 EEAEHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001491858991 1330276757 /nfs/dbraw/zinc/27/67/57/1330276757.db2.gz NSBKVHXYNOYPLA-INIZCTEOSA-N 1 3 335.467 2.412 10 0 EEAEHO O=C(NCCC[C@H]1CCCN1Cc1cncs1)C12CC[NH+](CC1)C2 ZINC001492176042 1331054601 /nfs/dbraw/zinc/05/46/01/1331054601.db2.gz QHKOVTURNSOLII-HNNXBMFYSA-N 1 3 348.516 2.100 10 0 EEAEHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCOCC1)N(C)C ZINC001317434491 1332237801 /nfs/dbraw/zinc/23/78/01/1332237801.db2.gz INZVGAZAXRXWNO-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCOCC1)N(C)C ZINC001317434491 1332237805 /nfs/dbraw/zinc/23/78/05/1332237805.db2.gz INZVGAZAXRXWNO-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cccc(OC)c1C ZINC001317664613 1332359016 /nfs/dbraw/zinc/35/90/16/1332359016.db2.gz LGNGGZWMKXAQIX-GOSISDBHSA-N 1 3 347.503 2.426 10 0 EEAEHO CC(C)(C(=O)N[C@@H]1CCC[C@H]1C[NH2+]C/C=C/Cl)N1CCCC1 ZINC001320150943 1332838892 /nfs/dbraw/zinc/83/88/92/1332838892.db2.gz DYRHKUDGBNOQGB-OVPGCVMQSA-N 1 3 327.900 2.488 10 0 EEAEHO Cc1nc(C)c(CNCC[C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)o1 ZINC001320451586 1332887135 /nfs/dbraw/zinc/88/71/35/1332887135.db2.gz YDGXFJLHZNOYHR-BBRMVZONSA-N 1 3 336.480 2.150 10 0 EEAEHO Cc1nc(C)c(CNCC[C@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)o1 ZINC001320451586 1332887138 /nfs/dbraw/zinc/88/71/38/1332887138.db2.gz YDGXFJLHZNOYHR-BBRMVZONSA-N 1 3 336.480 2.150 10 0 EEAEHO C[C@H](NC/C=C/CNC(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001321230450 1333050281 /nfs/dbraw/zinc/05/02/81/1333050281.db2.gz CMBZQNGKOSVHDP-BWPKMQGJSA-N 1 3 333.451 2.491 10 0 EEAEHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C/CNCc1cccc(F)c1 ZINC001321418048 1333099198 /nfs/dbraw/zinc/09/91/98/1333099198.db2.gz XPKDESBZFZXJNA-OBMMGQTPSA-N 1 3 333.451 2.461 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]CC/C=C/c1ccccc1 ZINC001322059413 1333203187 /nfs/dbraw/zinc/20/31/87/1333203187.db2.gz GMPUMTQADIHDAZ-WGPYJDKQSA-N 1 3 326.444 2.458 10 0 EEAEHO C[C@H]([NH2+]CCCCCF)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001325410537 1333881185 /nfs/dbraw/zinc/88/11/85/1333881185.db2.gz SEVQDIOSRWZKOT-JKSUJKDBSA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCNCc1nccn1C ZINC001675986435 1357082298 /nfs/dbraw/zinc/08/22/98/1357082298.db2.gz UPFZPNAWVSBXSK-SJORKVTESA-N 1 3 349.523 2.058 10 0 EEAEHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCCNCc1nccn1C ZINC001675986435 1357082301 /nfs/dbraw/zinc/08/23/01/1357082301.db2.gz UPFZPNAWVSBXSK-SJORKVTESA-N 1 3 349.523 2.058 10 0 EEAEHO COCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001329922419 1334740714 /nfs/dbraw/zinc/74/07/14/1334740714.db2.gz XGKNVYDTNGLJEX-ROUUACIJSA-N 1 3 339.524 2.257 10 0 EEAEHO COCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001329922419 1334740716 /nfs/dbraw/zinc/74/07/16/1334740716.db2.gz XGKNVYDTNGLJEX-ROUUACIJSA-N 1 3 339.524 2.257 10 0 EEAEHO C[C@@H](CCC[NH2+]CC1CC(F)(F)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC001330919260 1334927388 /nfs/dbraw/zinc/92/73/88/1334927388.db2.gz UNVXBQGEAQLHGR-KGLIPLIRSA-N 1 3 331.451 2.248 10 0 EEAEHO Cc1cc(CN[C@@H]2C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)sn1 ZINC001332047717 1335713265 /nfs/dbraw/zinc/71/32/65/1335713265.db2.gz JGHAOFWARFNNJJ-LSDHHAIUSA-N 1 3 338.521 2.262 10 0 EEAEHO CC[C@@H](F)CN(C)CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001660304015 1354434699 /nfs/dbraw/zinc/43/46/99/1354434699.db2.gz MUNMCUZHZYRUBT-RHSMWYFYSA-N 1 3 333.467 2.385 10 0 EEAEHO CC[C@@H](F)CN(C)CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001660304015 1354434700 /nfs/dbraw/zinc/43/47/00/1354434700.db2.gz MUNMCUZHZYRUBT-RHSMWYFYSA-N 1 3 333.467 2.385 10 0 EEAEHO Cc1nn(C(C)C)cc1C[NH2+]CC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001668214724 1355900696 /nfs/dbraw/zinc/90/06/96/1355900696.db2.gz NXIXMJRLYRFVBV-HZPDHXFCSA-N 1 3 349.523 2.099 10 0 EEAEHO O=C(NCCCN(Cc1ccsc1)C1CC1)C12CC[NH+](CC1)C2 ZINC001566600757 1342574279 /nfs/dbraw/zinc/57/42/79/1342574279.db2.gz MGSOIRVLESZBTI-UHFFFAOYSA-N 1 3 333.501 2.315 10 0 EEAEHO Cc1ncc(CN[C@@H]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)o1 ZINC001567176055 1342705126 /nfs/dbraw/zinc/70/51/26/1342705126.db2.gz HKHMGSAUBHEBEE-HZPDHXFCSA-N 1 3 336.480 2.232 10 0 EEAEHO Cc1noc(C)c1CNCCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001676002611 1357085949 /nfs/dbraw/zinc/08/59/49/1357085949.db2.gz WHJOFVGBEYLJDR-CZUORRHYSA-N 1 3 336.480 2.008 10 0 EEAEHO Cc1noc(C)c1CNCCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001676002611 1357085952 /nfs/dbraw/zinc/08/59/52/1357085952.db2.gz WHJOFVGBEYLJDR-CZUORRHYSA-N 1 3 336.480 2.008 10 0 EEAEHO CC(C)OCCN1CC=C(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001571700978 1343280923 /nfs/dbraw/zinc/28/09/23/1343280923.db2.gz UQPSIEDKAAOHAP-UHFFFAOYSA-N 1 3 337.508 2.036 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2cccc(Cl)n2)[C@@H]1C ZINC001676679569 1357179509 /nfs/dbraw/zinc/17/95/09/1357179509.db2.gz AQKBADMOWPJURQ-DZGCQCFKSA-N 1 3 338.883 2.156 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2cccc(Cl)n2)[C@@H]1C ZINC001676679569 1357179512 /nfs/dbraw/zinc/17/95/12/1357179512.db2.gz AQKBADMOWPJURQ-DZGCQCFKSA-N 1 3 338.883 2.156 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]CC/C=C/c2ccccc2)C1 ZINC001649439909 1353506309 /nfs/dbraw/zinc/50/63/09/1353506309.db2.gz JKZSJQITDXSPMY-OPUMOTSWSA-N 1 3 329.488 2.480 10 0 EEAEHO C[C@H](NC(=O)CN1CCCC2(CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC001649850269 1353626065 /nfs/dbraw/zinc/62/60/65/1353626065.db2.gz ULCQBISXBVFDIN-HNNXBMFYSA-N 1 3 333.451 2.469 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCCC[N@H+](CC2CC(F)(F)C2)C2CC2)C1 ZINC001660723611 1354525866 /nfs/dbraw/zinc/52/58/66/1354525866.db2.gz YJVZIOLYPUPIRA-CQSZACIVSA-N 1 3 343.462 2.344 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCCC[N@@H+](CC2CC(F)(F)C2)C2CC2)C1 ZINC001660723611 1354525869 /nfs/dbraw/zinc/52/58/69/1354525869.db2.gz YJVZIOLYPUPIRA-CQSZACIVSA-N 1 3 343.462 2.344 10 0 EEAEHO CCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001661235643 1354615251 /nfs/dbraw/zinc/61/52/51/1354615251.db2.gz LWNNWYHGLRDLEO-ZWKOTPCHSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001661235643 1354615253 /nfs/dbraw/zinc/61/52/53/1354615253.db2.gz LWNNWYHGLRDLEO-ZWKOTPCHSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCCN1CC ZINC001661972042 1354730528 /nfs/dbraw/zinc/73/05/28/1354730528.db2.gz MPPXXQKVTMQWAA-MSOLQXFVSA-N 1 3 339.524 2.258 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCC[C@H]1CCOC1 ZINC001661972758 1354730967 /nfs/dbraw/zinc/73/09/67/1354730967.db2.gz YNCJWNCJINUZBZ-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO CCN(CCNCc1cc(F)cc(F)c1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001668614464 1355973147 /nfs/dbraw/zinc/97/31/47/1355973147.db2.gz VSUWOWAIDMKVHA-CQSZACIVSA-N 1 3 339.430 2.245 10 0 EEAEHO CCN(CCNCc1cc(F)cc(F)c1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001668614464 1355973148 /nfs/dbraw/zinc/97/31/48/1355973148.db2.gz VSUWOWAIDMKVHA-CQSZACIVSA-N 1 3 339.430 2.245 10 0 EEAEHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]C/C=C\Cl ZINC001672320332 1356500736 /nfs/dbraw/zinc/50/07/36/1356500736.db2.gz HIVNYPPKBRPWIU-XSDWHBAISA-N 1 3 327.900 2.155 10 0 EEAEHO CCOCCN1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001698569405 1405009536 /nfs/dbraw/zinc/00/95/36/1405009536.db2.gz PWVQPJBEHBIIAI-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1ncc(CNCC[C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)o1 ZINC001698917023 1405160132 /nfs/dbraw/zinc/16/01/32/1405160132.db2.gz HCFBZGNTPYDDCH-QGZVFWFLSA-N 1 3 348.491 2.186 10 0 EEAEHO O=C(NC/C=C\CNC/C=C\Cl)C1CC[NH+](CC2CC2)CC1 ZINC001699328078 1405334580 /nfs/dbraw/zinc/33/45/80/1405334580.db2.gz DEUYSROKNPTIPZ-DVWHOSDNSA-N 1 3 325.884 2.123 10 0 EEAEHO COCCN1CCC[C@@H]1CNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000782903639 761995269 /nfs/dbraw/zinc/99/52/69/761995269.db2.gz ZMTOPWCKYKLJOR-QGZVFWFLSA-N 1 3 348.491 2.023 10 0 EEAEHO Cc1ccc(C[NH+]2CCC3(C[C@@H](C(=O)N4CCCC4)N(C)C3)CC2)o1 ZINC000675009026 769024568 /nfs/dbraw/zinc/02/45/68/769024568.db2.gz COHWJWXQXQPLPP-SFHVURJKSA-N 1 3 345.487 2.497 10 0 EEAEHO CC(C)Oc1ccc([C@H](CNC(=O)C23CC[NH+](CC2)C3)N(C)C)cc1 ZINC000908213430 785239115 /nfs/dbraw/zinc/23/91/15/785239115.db2.gz WPYFBCMYLGPYCK-SFHVURJKSA-N 1 3 345.487 2.289 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc(Cl)n1 ZINC000843514010 788670028 /nfs/dbraw/zinc/67/00/28/788670028.db2.gz HOMSRDSKKXPEPD-UONOGXRCSA-N 1 3 336.867 2.224 10 0 EEAEHO C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000844313238 788979645 /nfs/dbraw/zinc/97/96/45/788979645.db2.gz JNFUQBMWIZERRY-WDYCEAGBSA-N 1 3 343.471 2.470 10 0 EEAEHO CN(Cc1cccc(OC(F)(F)F)c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923317180 789359073 /nfs/dbraw/zinc/35/90/73/789359073.db2.gz BEIDXXZSPZKDKL-CQSZACIVSA-N 1 3 330.350 2.396 10 0 EEAEHO C[C@H](OCCCNC(=O)CN1CC[C@H](C[NH3+])[C@@H](C)C1)c1ccccc1 ZINC000923497147 789671633 /nfs/dbraw/zinc/67/16/33/789671633.db2.gz FRPAYISZFSEXCN-JENIJYKNSA-N 1 3 347.503 2.187 10 0 EEAEHO CCCCOc1cccc(CNC(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923498906 789680816 /nfs/dbraw/zinc/68/08/16/789680816.db2.gz QRTPKEFJAFIFST-FUHWJXTLSA-N 1 3 347.503 2.398 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)NCCC3CC=CC3)CC2)CC1 ZINC000915500090 796291270 /nfs/dbraw/zinc/29/12/70/796291270.db2.gz APBVQJPIHMAIAQ-UHFFFAOYSA-N 1 3 334.508 2.201 10 0 EEAEHO CCOCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001566074916 1125547980 /nfs/dbraw/zinc/54/79/80/1125547980.db2.gz DJLMAWORKXAPFP-MSOLQXFVSA-N 1 3 341.540 2.360 10 0 EEAEHO CCN(CCCNC(=O)C12CCC[NH+]1CCC2)Cc1ncccc1C ZINC001566556882 1125730797 /nfs/dbraw/zinc/73/07/97/1125730797.db2.gz RRBDMYCLJSQSBR-UHFFFAOYSA-N 1 3 344.503 2.347 10 0 EEAEHO Cc1cnc([C@H](C)N[C@@H]2CC[C@H](CNC(=O)CCC[NH+](C)C)C2)cn1 ZINC001436415134 1087770019 /nfs/dbraw/zinc/77/00/19/1087770019.db2.gz IYRBQAGMBCYXDT-YESZJQIVSA-N 1 3 347.507 2.062 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@@H](C)NCc2cc(C)no2)C1 ZINC001437393804 1089645513 /nfs/dbraw/zinc/64/55/13/1089645513.db2.gz BUYHAFPUXLAZHU-ZBFHGGJFSA-N 1 3 336.480 2.089 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)NCC[C@@H](C)NCc2cc(C)no2)C1 ZINC001437393804 1089645524 /nfs/dbraw/zinc/64/55/24/1089645524.db2.gz BUYHAFPUXLAZHU-ZBFHGGJFSA-N 1 3 336.480 2.089 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3F)C2)C1 ZINC001437725937 1090280428 /nfs/dbraw/zinc/28/04/28/1090280428.db2.gz KIQHJNZASUOODK-IAGOWNOFSA-N 1 3 347.478 2.148 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3F)C2)C1 ZINC001437725937 1090280431 /nfs/dbraw/zinc/28/04/31/1090280431.db2.gz KIQHJNZASUOODK-IAGOWNOFSA-N 1 3 347.478 2.148 10 0 EEAEHO CC(C)CCN1CC[C@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001446091932 1092117787 /nfs/dbraw/zinc/11/77/87/1092117787.db2.gz GELVRQPBMCNMIC-MAUKXSAKSA-N 1 3 327.488 2.436 10 0 EEAEHO CC(C)CCN1CC[C@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001446091932 1092117790 /nfs/dbraw/zinc/11/77/90/1092117790.db2.gz GELVRQPBMCNMIC-MAUKXSAKSA-N 1 3 327.488 2.436 10 0 EEAEHO C[NH+](C)CCCC(=O)NC[C@H]1CCN1C[C@H]1CCCC(F)(F)C1 ZINC001439550273 1092420951 /nfs/dbraw/zinc/42/09/51/1092420951.db2.gz WTHWIFRRGVYTQP-LSDHHAIUSA-N 1 3 331.451 2.344 10 0 EEAEHO Cc1cc(CN2CC[C@H]([C@H]3CCCCN3C(=O)CC[NH+](C)C)C2)on1 ZINC001446300978 1092469572 /nfs/dbraw/zinc/46/95/72/1092469572.db2.gz ZUWSUPOPHBDSFU-FUHWJXTLSA-N 1 3 348.491 2.138 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1(C)CC[NH+](C[C@H]2CC[C@H](C)O2)CC1 ZINC001439916477 1092993089 /nfs/dbraw/zinc/99/30/89/1092993089.db2.gz LHXJBPSSXHQRKL-DLBZAZTESA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1ccncc1C[N@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001440401816 1093588365 /nfs/dbraw/zinc/58/83/65/1093588365.db2.gz XUCTXQONAHUKNX-GOSISDBHSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1ccncc1C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001440401816 1093588370 /nfs/dbraw/zinc/58/83/70/1093588370.db2.gz XUCTXQONAHUKNX-GOSISDBHSA-N 1 3 332.492 2.201 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)CC2CC(F)(F)C2)CC1 ZINC001448555098 1093599069 /nfs/dbraw/zinc/59/90/69/1093599069.db2.gz RSYCRWWOPBNXJB-UHFFFAOYSA-N 1 3 331.451 2.295 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)CC2CC(F)(F)C2)CC1 ZINC001448555098 1093599073 /nfs/dbraw/zinc/59/90/73/1093599073.db2.gz RSYCRWWOPBNXJB-UHFFFAOYSA-N 1 3 331.451 2.295 10 0 EEAEHO C[C@H](CN(C)C(=O)CC[NH+](C)C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001448716342 1093787973 /nfs/dbraw/zinc/78/79/73/1093787973.db2.gz JSVULMDJUAWDKT-OLZOCXBDSA-N 1 3 327.419 2.414 10 0 EEAEHO CC[C@H](C(=O)NC1(CO)CC[NH+](CCCC(C)(C)C)CC1)N(C)C ZINC001440694264 1093946939 /nfs/dbraw/zinc/94/69/39/1093946939.db2.gz KHDSABMBSALOLL-MRXNPFEDSA-N 1 3 341.540 2.096 10 0 EEAEHO CCCC[C@H](CNCc1cncs1)NC(=O)C12CC[NH+](CC1)C2 ZINC001441127673 1094452520 /nfs/dbraw/zinc/45/25/20/1094452520.db2.gz DUYDKLFSCYTKQL-CQSZACIVSA-N 1 3 336.505 2.004 10 0 EEAEHO Cc1nsc(C)c1C[NH2+][C@H](CNC(=O)CN(C)C(C)C)C1CC1 ZINC001441292401 1094725916 /nfs/dbraw/zinc/72/59/16/1094725916.db2.gz GRFXSXOUHMGNTD-MRXNPFEDSA-N 1 3 338.521 2.085 10 0 EEAEHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C2CCC2)c(C)n1 ZINC001441534530 1095246386 /nfs/dbraw/zinc/24/63/86/1095246386.db2.gz IKCRVECTKBHWPV-HNNXBMFYSA-N 1 3 332.492 2.119 10 0 EEAEHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCc1ccccc1Cl ZINC001441646606 1095592781 /nfs/dbraw/zinc/59/27/81/1095592781.db2.gz IXKSUIRZIAVYEK-AWEZNQCLSA-N 1 3 335.879 2.372 10 0 EEAEHO CCc1nocc1C[NH2+]C1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001441739861 1095729600 /nfs/dbraw/zinc/72/96/00/1095729600.db2.gz UYIKJVMNLMBEFV-VMBOVVBDSA-N 1 3 336.480 2.094 10 0 EEAEHO Cc1conc1CN[C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001441889629 1096025337 /nfs/dbraw/zinc/02/53/37/1096025337.db2.gz ZEVHLXNGZWJGIF-YESZJQIVSA-N 1 3 348.491 2.042 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001441955853 1096157158 /nfs/dbraw/zinc/15/71/58/1096157158.db2.gz WQOYEDHRYXXDDO-LSDHHAIUSA-N 1 3 328.460 2.104 10 0 EEAEHO Cc1cccnc1CN1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001442276591 1096586073 /nfs/dbraw/zinc/58/60/73/1096586073.db2.gz JBGMBKPKFXLWOC-UHFFFAOYSA-N 1 3 344.503 2.203 10 0 EEAEHO COc1ccc(CN2CCC[C@@H]2CNC(=O)CC[NH+](C)C)cc1C ZINC001442803366 1097185184 /nfs/dbraw/zinc/18/51/84/1097185184.db2.gz VJFHBXHGZUCXTN-QGZVFWFLSA-N 1 3 333.476 2.036 10 0 EEAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCN(C[C@@H]1CCCCO1)C1CC1 ZINC001443010055 1097425176 /nfs/dbraw/zinc/42/51/76/1097425176.db2.gz UQDVZEXKRYFKRX-AEFFLSMTSA-N 1 3 337.508 2.011 10 0 EEAEHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCN(C[C@@H]1CCCCO1)C1CC1 ZINC001443010055 1097425180 /nfs/dbraw/zinc/42/51/80/1097425180.db2.gz UQDVZEXKRYFKRX-AEFFLSMTSA-N 1 3 337.508 2.011 10 0 EEAEHO CCOCCCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001479906083 1099296142 /nfs/dbraw/zinc/29/61/42/1099296142.db2.gz LPAKUWILSVSSAR-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CCOCCCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001479906083 1099296147 /nfs/dbraw/zinc/29/61/47/1099296147.db2.gz LPAKUWILSVSSAR-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H](CNCc1ccccc1F)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001444671372 1099512123 /nfs/dbraw/zinc/51/21/23/1099512123.db2.gz JHXNUSOSIFXHNN-XHSDSOJGSA-N 1 3 335.467 2.493 10 0 EEAEHO C[C@H](CNCc1ccccc1F)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001444671372 1099512137 /nfs/dbraw/zinc/51/21/37/1099512137.db2.gz JHXNUSOSIFXHNN-XHSDSOJGSA-N 1 3 335.467 2.493 10 0 EEAEHO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)c1 ZINC001444731448 1099607281 /nfs/dbraw/zinc/60/72/81/1099607281.db2.gz RJERJDLJQUQVOP-HZPDHXFCSA-N 1 3 333.476 2.289 10 0 EEAEHO O=C(N[C@@H]1CCC[C@H]1CNC/C(Cl)=C/Cl)C12CC[NH+](CC1)C2 ZINC001445100225 1100329897 /nfs/dbraw/zinc/32/98/97/1100329897.db2.gz AOFPCDVYPQYTOX-DOOVCASASA-N 1 3 346.302 2.276 10 0 EEAEHO C[C@H](CNC(=O)CCC[NH+](C)C)N[C@H]1CCc2c1cc(F)cc2F ZINC001480528111 1100359084 /nfs/dbraw/zinc/35/90/84/1100359084.db2.gz URRZCPWMZOSOBD-PXAZEXFGSA-N 1 3 339.430 2.388 10 0 EEAEHO C[C@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]Cc2ccccn2)CCCC1 ZINC001495210957 1100894161 /nfs/dbraw/zinc/89/41/61/1100894161.db2.gz KEZTXKQGFWVYGO-IRXDYDNUSA-N 1 3 344.503 2.473 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001496375893 1100969009 /nfs/dbraw/zinc/96/90/09/1100969009.db2.gz OSIFHUIHUAYDAK-YJBOKZPZSA-N 1 3 335.467 2.493 10 0 EEAEHO CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1cnc(C)s1)C1CC1)N(C)C ZINC001495280102 1100978347 /nfs/dbraw/zinc/97/83/47/1100978347.db2.gz LQYQEDRFNIFDIS-RDJZCZTQSA-N 1 3 338.521 2.166 10 0 EEAEHO C[C@@H]1CCCC[C@@]1(C[NH2+]CCCO)NC(=O)CN(C)CC(C)(C)C ZINC001495320779 1101025987 /nfs/dbraw/zinc/02/59/87/1101025987.db2.gz LKZRINMXKVDEET-APWZRJJASA-N 1 3 341.540 2.001 10 0 EEAEHO COCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001495389289 1101108925 /nfs/dbraw/zinc/10/89/25/1101108925.db2.gz CECFRSMDPRXCNT-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC001495481251 1101190730 /nfs/dbraw/zinc/19/07/30/1101190730.db2.gz GZBSUTHIKQXHNY-WKILWMFISA-N 1 3 348.491 2.409 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@]1(C)CCC[N@H+](CCOC2CCC2)C1 ZINC001446698624 1101263991 /nfs/dbraw/zinc/26/39/91/1101263991.db2.gz VFKQWALMFIOXLR-IBGZPJMESA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@]1(C)CCC[N@@H+](CCOC2CCC2)C1 ZINC001446698624 1101263999 /nfs/dbraw/zinc/26/39/99/1101263999.db2.gz VFKQWALMFIOXLR-IBGZPJMESA-N 1 3 339.524 2.114 10 0 EEAEHO CCCN(C)CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCOCC1 ZINC001446726360 1101298383 /nfs/dbraw/zinc/29/83/83/1101298383.db2.gz OFFHHQNJUJMAHJ-UHFFFAOYSA-N 1 3 339.524 2.019 10 0 EEAEHO CC(C)COCCN(C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001496732733 1101364261 /nfs/dbraw/zinc/36/42/61/1101364261.db2.gz ZBYGZCGXUMCIJF-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)COCCN(C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001496732733 1101364274 /nfs/dbraw/zinc/36/42/74/1101364274.db2.gz ZBYGZCGXUMCIJF-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccn(C(C)C)n2)C1 ZINC001446945796 1101635826 /nfs/dbraw/zinc/63/58/26/1101635826.db2.gz OSFOGXGYSNYSLY-IAGOWNOFSA-N 1 3 349.523 2.131 10 0 EEAEHO CCN(CC)C[C@@H](F)C(=O)N1CCC2(C[NH+](CC[C@@H](C)F)C2)CC1 ZINC001495974218 1101870175 /nfs/dbraw/zinc/87/01/75/1101870175.db2.gz PCUILVZCNLGXMG-HZPDHXFCSA-N 1 3 345.478 2.339 10 0 EEAEHO C[C@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)CN1CC[C@H](C)C1 ZINC001497271915 1102229847 /nfs/dbraw/zinc/22/98/47/1102229847.db2.gz PKSIOVFPYKNGKT-UONOGXRCSA-N 1 3 339.430 2.291 10 0 EEAEHO C[NH+](C)CCCC(=O)NC/C=C/CN[C@H]1CCc2c1cccc2F ZINC001497660433 1102845327 /nfs/dbraw/zinc/84/53/27/1102845327.db2.gz IKFHEGSKPQPJBA-WHLIDYPQSA-N 1 3 333.451 2.417 10 0 EEAEHO Cc1ncsc1CN[C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001447885071 1103514917 /nfs/dbraw/zinc/51/49/17/1103514917.db2.gz YCLSCNSURYHGKZ-OLZOCXBDSA-N 1 3 336.505 2.063 10 0 EEAEHO Cc1cccnc1CN[C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001447907795 1103570397 /nfs/dbraw/zinc/57/03/97/1103570397.db2.gz KSCHMGHUSXJNOU-DLBZAZTESA-N 1 3 346.519 2.493 10 0 EEAEHO CCc1nocc1CN1CCCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001448261586 1104269807 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335.467 2.412 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001498446757 1107544513 /nfs/dbraw/zinc/54/45/13/1107544513.db2.gz YLPDBNZUFFFPSY-YPMHNXCESA-N 1 3 328.407 2.133 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001498446757 1107544523 /nfs/dbraw/zinc/54/45/23/1107544523.db2.gz YLPDBNZUFFFPSY-YPMHNXCESA-N 1 3 328.407 2.133 10 0 EEAEHO O=C(NCCN(CCOC1CCC1)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001493382389 1108033900 /nfs/dbraw/zinc/03/39/00/1108033900.db2.gz ZQUKAMXGFUWBBK-UHFFFAOYSA-N 1 3 349.519 2.012 10 0 EEAEHO Cc1cncc(CNCCN(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC001493719410 1108561831 /nfs/dbraw/zinc/56/18/31/1108561831.db2.gz BAIPRMHPQRWAJF-SFHVURJKSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1cncc(CNCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001493719410 1108561842 /nfs/dbraw/zinc/56/18/42/1108561842.db2.gz BAIPRMHPQRWAJF-SFHVURJKSA-N 1 3 332.492 2.201 10 0 EEAEHO CS[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C[C@H]1N(C)C ZINC001457737744 1109749855 /nfs/dbraw/zinc/74/98/55/1109749855.db2.gz BTDUXLOMANUVBT-MLHJIOFPSA-N 1 3 347.528 2.183 10 0 EEAEHO CS[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C[C@H]1N(C)C ZINC001457737744 1109749858 /nfs/dbraw/zinc/74/98/58/1109749858.db2.gz BTDUXLOMANUVBT-MLHJIOFPSA-N 1 3 347.528 2.183 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001499944764 1112551002 /nfs/dbraw/zinc/55/10/02/1112551002.db2.gz PLPFGIJNWWLBIL-KRWDZBQOSA-N 1 3 335.467 2.291 10 0 EEAEHO CC(C)CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CCO1 ZINC001502054376 1113571540 /nfs/dbraw/zinc/57/15/40/1113571540.db2.gz ZJODKDZPGZELMP-KRWDZBQOSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ncccc1CN(C)CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001502390365 1113661652 /nfs/dbraw/zinc/66/16/52/1113661652.db2.gz BDXJUZBIKFVOPA-KRWDZBQOSA-N 1 3 332.492 2.012 10 0 EEAEHO Cc1ncccc1CN(C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001502390365 1113661653 /nfs/dbraw/zinc/66/16/53/1113661653.db2.gz BDXJUZBIKFVOPA-KRWDZBQOSA-N 1 3 332.492 2.012 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2c3ccccc3CCN2CC2CC2)C1 ZINC001503690122 1113899059 /nfs/dbraw/zinc/89/90/59/1113899059.db2.gz FCHSLNUZPDLCKV-YLJYHZDGSA-N 1 3 341.499 2.454 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2c3ccccc3CCN2CC2CC2)C1 ZINC001503690122 1113899063 /nfs/dbraw/zinc/89/90/63/1113899063.db2.gz FCHSLNUZPDLCKV-YLJYHZDGSA-N 1 3 341.499 2.454 10 0 EEAEHO COc1cccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN(C)C(C)C)c1 ZINC001505465831 1114000828 /nfs/dbraw/zinc/00/08/28/1114000828.db2.gz NBLMZNBPPFUFRA-SFHVURJKSA-N 1 3 347.503 2.458 10 0 EEAEHO COc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN(C)C(C)C)c1 ZINC001505465831 1114000830 /nfs/dbraw/zinc/00/08/30/1114000830.db2.gz NBLMZNBPPFUFRA-SFHVURJKSA-N 1 3 347.503 2.458 10 0 EEAEHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NCc1ccc(Cl)c(F)c1 ZINC001507117103 1115117258 /nfs/dbraw/zinc/11/72/58/1115117258.db2.gz GORLGOZRSBVMJJ-LBPRGKRZSA-N 1 3 329.847 2.367 10 0 EEAEHO C[C@@H](C(=O)NC[C@H](CO)[NH2+]CCCC(C)(C)C)N1CCCCCC1 ZINC001507244956 1115159899 /nfs/dbraw/zinc/15/98/99/1115159899.db2.gz YPXXMRKSJPNISZ-DLBZAZTESA-N 1 3 341.540 2.144 10 0 EEAEHO COCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001507296356 1115179161 /nfs/dbraw/zinc/17/91/61/1115179161.db2.gz IVERLBWYUTYKLR-QFBILLFUSA-N 1 3 347.503 2.367 10 0 EEAEHO Cc1ccccc1OCCN1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001507380488 1115239241 /nfs/dbraw/zinc/23/92/41/1115239241.db2.gz FRWXUOCBJVDPJX-MSOLQXFVSA-N 1 3 347.503 2.295 10 0 EEAEHO C[C@H](CC[NH2+]Cc1ccc(CF)cc1)NC(=O)CN1CC[C@H](C)C1 ZINC001568678707 1124690585 /nfs/dbraw/zinc/69/05/85/1124690585.db2.gz XGBSWSKWRIAMAJ-JKSUJKDBSA-N 1 3 335.467 2.482 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)cc(F)c1)N(C)C ZINC001568698721 1124712388 /nfs/dbraw/zinc/71/23/88/1124712388.db2.gz HRQKIYAQGSYFGR-LRDDRELGSA-N 1 3 327.419 2.289 10 0 EEAEHO COc1ccccc1N1CC[C@H](N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422880309 240272609 /nfs/dbraw/zinc/27/26/09/240272609.db2.gz WSLLAXZZUXFVGS-WNRNVDISSA-N 1 3 345.487 2.021 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000170863089 206629635 /nfs/dbraw/zinc/62/96/35/206629635.db2.gz TWWDXNBNNCWCRM-QZTJIDSGSA-N 1 3 332.492 2.415 10 0 EEAEHO CN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261548076 160399263 /nfs/dbraw/zinc/39/92/63/160399263.db2.gz JBOWKVAWGYXWGP-QZTJIDSGSA-N 1 3 327.472 2.109 10 0 EEAEHO NC1(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCOCC1 ZINC000261758325 160413997 /nfs/dbraw/zinc/41/39/97/160413997.db2.gz FQVVEQAYHHRDIL-UHFFFAOYSA-N 1 3 345.487 2.187 10 0 EEAEHO [NH3+]C1(CNC(=O)CC2(N3CCOCC3)CCCC2)CCCCCC1 ZINC000237738259 160224395 /nfs/dbraw/zinc/22/43/95/160224395.db2.gz MQXBVASCKSNXFK-UHFFFAOYSA-N 1 3 337.508 2.189 10 0 EEAEHO CN1CCO[C@H](CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248389669 160343240 /nfs/dbraw/zinc/34/32/40/160343240.db2.gz BAMILEXVVSKGQW-XRXFAXGQSA-N 1 3 343.515 2.207 10 0 EEAEHO CN1CCO[C@H](CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248389669 160343242 /nfs/dbraw/zinc/34/32/42/160343242.db2.gz BAMILEXVVSKGQW-XRXFAXGQSA-N 1 3 343.515 2.207 10 0 EEAEHO CN1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000248389669 160343244 /nfs/dbraw/zinc/34/32/44/160343244.db2.gz BAMILEXVVSKGQW-XRXFAXGQSA-N 1 3 343.515 2.207 10 0 EEAEHO NC(=O)N1CCC([NH2+]CC2CCN(Cc3cccs3)CC2)CC1 ZINC000343952047 161183646 /nfs/dbraw/zinc/18/36/46/161183646.db2.gz MKPBAVDTRRPLGP-UHFFFAOYSA-N 1 3 336.505 2.093 10 0 EEAEHO CC(C)N1CCN(CCC[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000289474273 275119156 /nfs/dbraw/zinc/11/91/56/275119156.db2.gz XJPHTSZPVGRVBO-LEWJYISDSA-N 1 3 344.547 2.438 10 0 EEAEHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3CCC(=O)NC3(C)C)cc2)CC1 ZINC000495017167 276888615 /nfs/dbraw/zinc/88/86/15/276888615.db2.gz JXPMRUOEJVSBJO-GOSISDBHSA-N 1 3 345.487 2.306 10 0 EEAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000247911222 288302591 /nfs/dbraw/zinc/30/25/91/288302591.db2.gz AEWPWGGFLQLFID-OWYHZJEWSA-N 1 3 342.487 2.310 10 0 EEAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000247911222 288302592 /nfs/dbraw/zinc/30/25/92/288302592.db2.gz AEWPWGGFLQLFID-OWYHZJEWSA-N 1 3 342.487 2.310 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@H](NCCNC(=O)c2ccccc2)[C@H](C)C1 ZINC000162517937 311376478 /nfs/dbraw/zinc/37/64/78/311376478.db2.gz LFBDJQDEIMYOAO-MJGOQNOKSA-N 1 3 347.503 2.143 10 0 EEAEHO CCOCCC[N@H+]1CC[C@H](NCCNC(=O)c2ccccc2)[C@H](C)C1 ZINC000162517937 311376481 /nfs/dbraw/zinc/37/64/81/311376481.db2.gz LFBDJQDEIMYOAO-MJGOQNOKSA-N 1 3 347.503 2.143 10 0 EEAEHO C[NH+](C)CC1CCC(NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000414358241 313003945 /nfs/dbraw/zinc/00/39/45/313003945.db2.gz GHOUODMXNQBQHE-UHFFFAOYSA-N 1 3 330.519 2.362 10 0 EEAEHO [NH3+]CCN(CCc1ccccc1)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418557551 313846060 /nfs/dbraw/zinc/84/60/60/313846060.db2.gz RLMUZKKECWQBDX-UHFFFAOYSA-N 1 3 338.455 2.003 10 0 EEAEHO CC[NH2+]CCCNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000576569725 320183609 /nfs/dbraw/zinc/18/36/09/320183609.db2.gz YVKSEBMQAFGJPB-LJQANCHMSA-N 1 3 332.492 2.340 10 0 EEAEHO CN(C)CCOCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000339358791 465222652 /nfs/dbraw/zinc/22/26/52/465222652.db2.gz LOEZYBIPYPJQTB-CQSZACIVSA-N 1 3 341.293 2.474 10 0 EEAEHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCN(C)C1 ZINC000073811819 463658871 /nfs/dbraw/zinc/65/88/71/463658871.db2.gz PQYUOLGPAKJWGX-RBUKOAKNSA-N 1 3 344.503 2.244 10 0 EEAEHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCN(C)C1 ZINC000073811819 463658873 /nfs/dbraw/zinc/65/88/73/463658873.db2.gz PQYUOLGPAKJWGX-RBUKOAKNSA-N 1 3 344.503 2.244 10 0 EEAEHO O=C(N1CCN(CC2CC[NH2+]CC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000262243904 463981194 /nfs/dbraw/zinc/98/11/94/463981194.db2.gz PHSXZIFPYYDQCH-UHFFFAOYSA-N 1 3 345.531 2.347 10 0 EEAEHO CN(c1ccccc1CN1CC[N@@H+]2CCC[C@@H]2C1)C1CCN(C)CC1 ZINC000179548577 464155441 /nfs/dbraw/zinc/15/54/41/464155441.db2.gz OEJDPFMHPCUSOZ-HXUWFJFHSA-N 1 3 342.531 2.497 10 0 EEAEHO CN(c1ccccc1CN1CC[N@H+]2CCC[C@@H]2C1)C1CCN(C)CC1 ZINC000179548577 464155446 /nfs/dbraw/zinc/15/54/46/464155446.db2.gz OEJDPFMHPCUSOZ-HXUWFJFHSA-N 1 3 342.531 2.497 10 0 EEAEHO CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182352379 464634041 /nfs/dbraw/zinc/63/40/41/464634041.db2.gz YQQOOHDHXPOWLW-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182352379 464634045 /nfs/dbraw/zinc/63/40/45/464634045.db2.gz YQQOOHDHXPOWLW-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[NH+]1CCC(CCNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)CC1 ZINC000183094676 464795556 /nfs/dbraw/zinc/79/55/56/464795556.db2.gz WMMFKOUYVGREBH-ROUUACIJSA-N 1 3 336.524 2.234 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000349669719 466184355 /nfs/dbraw/zinc/18/43/55/466184355.db2.gz QRTALVXJGWUDCR-JZXOWHBKSA-N 1 3 336.524 2.233 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000349669719 466184363 /nfs/dbraw/zinc/18/43/63/466184363.db2.gz QRTALVXJGWUDCR-JZXOWHBKSA-N 1 3 336.524 2.233 10 0 EEAEHO CN(CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000363530646 466461375 /nfs/dbraw/zinc/46/13/75/466461375.db2.gz QZSYAZSGQNLSKH-KRWDZBQOSA-N 1 3 336.524 2.378 10 0 EEAEHO CN(Cc1nc2ccccc2o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373214997 466730262 /nfs/dbraw/zinc/73/02/62/466730262.db2.gz HOIRKFDITIBBHN-INIZCTEOSA-N 1 3 328.460 2.428 10 0 EEAEHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](N)c2ccccc2)C1 ZINC000417240375 466812882 /nfs/dbraw/zinc/81/28/82/466812882.db2.gz PKLXPNQZKLXJOC-WBVHZDCISA-N 1 3 332.492 2.496 10 0 EEAEHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](N)c2ccccc2)C1 ZINC000417240375 466812886 /nfs/dbraw/zinc/81/28/86/466812886.db2.gz PKLXPNQZKLXJOC-WBVHZDCISA-N 1 3 332.492 2.496 10 0 EEAEHO C[C@H]1C[N@H+](Cc2ccc(-c3cc[nH]n3)o2)CC[C@@H]1N1CCN(C)CC1 ZINC000373850984 466941818 /nfs/dbraw/zinc/94/18/18/466941818.db2.gz ORMUOGJEHGFQJD-YJBOKZPZSA-N 1 3 343.475 2.128 10 0 EEAEHO C[C@H]1C[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)CC[C@@H]1N1CCN(C)CC1 ZINC000373850984 466941824 /nfs/dbraw/zinc/94/18/24/466941824.db2.gz ORMUOGJEHGFQJD-YJBOKZPZSA-N 1 3 343.475 2.128 10 0 EEAEHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418031512 467028137 /nfs/dbraw/zinc/02/81/37/467028137.db2.gz KSBCESOFUGMNHO-WDSOQIARSA-N 1 3 346.519 2.440 10 0 EEAEHO C[C@@]1(CNC(=O)N[C@@H](C[NH3+])C2CC2)CCCN1Cc1ccccc1 ZINC000418048177 467034066 /nfs/dbraw/zinc/03/40/66/467034066.db2.gz VHTRCBWGIDOSHZ-HKUYNNGSSA-N 1 3 330.476 2.078 10 0 EEAEHO COc1cc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc2c1OCCO2 ZINC000424373796 467035238 /nfs/dbraw/zinc/03/52/38/467035238.db2.gz HESJOEOGROPLID-CQSZACIVSA-N 1 3 332.444 2.430 10 0 EEAEHO C[NH+](C)CCCC1CCN(C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000418424990 467108437 /nfs/dbraw/zinc/10/84/37/467108437.db2.gz HLIVHJMUCDRSQP-GOSISDBHSA-N 1 3 332.492 2.450 10 0 EEAEHO CC(C)(C)CCN1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418443341 467111270 /nfs/dbraw/zinc/11/12/70/467111270.db2.gz FTCOXEWPRROBCS-KRWDZBQOSA-N 1 3 332.492 2.450 10 0 EEAEHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000418579298 467130878 /nfs/dbraw/zinc/13/08/78/467130878.db2.gz RGDZTIIXFMPJFM-FUHWJXTLSA-N 1 3 332.492 2.066 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418614649 467136222 /nfs/dbraw/zinc/13/62/22/467136222.db2.gz JJNTVUPZHPICQF-BHIYHBOVSA-N 1 3 344.503 2.290 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000378165862 467216983 /nfs/dbraw/zinc/21/69/83/467216983.db2.gz KVNDBJLPPMXMIV-PMXSJFBMSA-N 1 3 343.515 2.350 10 0 EEAEHO COc1ccc([C@H](C[NH3+])CN2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000420372717 467381969 /nfs/dbraw/zinc/38/19/69/467381969.db2.gz LUUSBTCHLLMWQA-JKSUJKDBSA-N 1 3 342.443 2.487 10 0 EEAEHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000420372717 467381973 /nfs/dbraw/zinc/38/19/73/467381973.db2.gz LUUSBTCHLLMWQA-JKSUJKDBSA-N 1 3 342.443 2.487 10 0 EEAEHO COc1ccc([C@H](CN)C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000420372717 467381978 /nfs/dbraw/zinc/38/19/78/467381978.db2.gz LUUSBTCHLLMWQA-JKSUJKDBSA-N 1 3 342.443 2.487 10 0 EEAEHO C[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(OCCN(C)C)cc1 ZINC000453277676 467476806 /nfs/dbraw/zinc/47/68/06/467476806.db2.gz YGPQXQIMWPUONW-IEBWSBKVSA-N 1 3 349.519 2.124 10 0 EEAEHO COc1c(C)cc(C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1C ZINC000415134746 467499090 /nfs/dbraw/zinc/49/90/90/467499090.db2.gz WBYKXDUWXMWSJA-KRWDZBQOSA-N 1 3 329.448 2.199 10 0 EEAEHO COc1c(C)cc(C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1C ZINC000415134746 467499096 /nfs/dbraw/zinc/49/90/96/467499096.db2.gz WBYKXDUWXMWSJA-KRWDZBQOSA-N 1 3 329.448 2.199 10 0 EEAEHO O[C@@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)CN1CCCC1 ZINC000519399457 468159296 /nfs/dbraw/zinc/15/92/96/468159296.db2.gz QBEWBXLWZCCSJD-PMACEKPBSA-N 1 3 343.515 2.230 10 0 EEAEHO CN(Cc1ccccc1)C[C@@H](O)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594205336 468512159 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CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C=C1CC[NH2+]CC1 ZINC000852883647 1292224532 /nfs/dbraw/zinc/22/45/32/1292224532.db2.gz MLBBRFQNZHKBIC-UHFFFAOYSA-N 1 3 337.414 2.165 10 0 EEAEHO CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21)N(C)C ZINC001276737330 1297114192 /nfs/dbraw/zinc/11/41/92/1297114192.db2.gz JPWKZMRSLRXZKK-OKYOBFRVSA-N 1 3 333.520 2.367 10 0 EEAEHO CC(C)[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21)N(C)C ZINC001276737330 1297114199 /nfs/dbraw/zinc/11/41/99/1297114199.db2.gz JPWKZMRSLRXZKK-OKYOBFRVSA-N 1 3 333.520 2.367 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@H](C[NH2+]C/C=C\Cl)C2CCCC2)C1 ZINC001278273790 1308945108 /nfs/dbraw/zinc/94/51/08/1308945108.db2.gz ABXUWWFXGMKDTC-IIKMGHGCSA-N 1 3 327.900 2.345 10 0 EEAEHO COc1ccc(NC(=O)[C@H]2CCCN2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000842472320 1315711650 /nfs/dbraw/zinc/71/16/50/1315711650.db2.gz WKDHRAHTAGSVFT-MAUKXSAKSA-N 1 3 331.460 2.488 10 0 EEAEHO O[C@@H](C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)CN1CCCCC1 ZINC000843061632 1315832506 /nfs/dbraw/zinc/83/25/06/1315832506.db2.gz GVRHADIQMMCIEX-XJKSGUPXSA-N 1 3 346.393 2.175 10 0 EEAEHO CN(CC(=O)N1CC[C@H]([NH2+]CCCOc2ccccc2)C1)C1CCC1 ZINC001265911037 1323480873 /nfs/dbraw/zinc/48/08/73/1323480873.db2.gz ZPYJPJQICGOABW-KRWDZBQOSA-N 1 3 345.487 2.130 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CCNCc2cnoc2C)C1 ZINC001280062071 1324072528 /nfs/dbraw/zinc/07/25/28/1324072528.db2.gz JXOQLKDZYRHRDO-FUHWJXTLSA-N 1 3 348.491 2.186 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CCNCc2cnoc2C)C1 ZINC001280062071 1324072535 /nfs/dbraw/zinc/07/25/35/1324072535.db2.gz JXOQLKDZYRHRDO-FUHWJXTLSA-N 1 3 348.491 2.186 10 0 EEAEHO C[NH+](C)CCCCC(=O)N1CC2(C1)CCN(C/C=C/Cl)CC2 ZINC001280394530 1324197653 /nfs/dbraw/zinc/19/76/53/1324197653.db2.gz PTLBXRIQCDWFJR-WEVVVXLNSA-N 1 3 327.900 2.395 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]CCC[C@H](C)O)CCC1 ZINC001280521912 1324273649 /nfs/dbraw/zinc/27/36/49/1324273649.db2.gz FTXPUQLCROMYGA-IRXDYDNUSA-N 1 3 339.524 2.039 10 0 EEAEHO COCCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001282737938 1325776264 /nfs/dbraw/zinc/77/62/64/1325776264.db2.gz CWIBWDAPVQMGBQ-FUHWJXTLSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1ccccc1OCC[NH2+][C@H](C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001283677693 1326197862 /nfs/dbraw/zinc/19/78/62/1326197862.db2.gz KLURJLFRSHMTCD-SJLPKXTDSA-N 1 3 347.503 2.152 10 0 EEAEHO CN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001491827284 1330266011 /nfs/dbraw/zinc/26/60/11/1330266011.db2.gz YICNOIJOXYRJLZ-ZUTSKAEESA-N 1 3 334.291 2.228 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001413830601 1331432929 /nfs/dbraw/zinc/43/29/29/1331432929.db2.gz KNJKEZFKTHVJFK-POAQFYNOSA-N 1 3 344.503 2.100 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001413830601 1331432931 /nfs/dbraw/zinc/43/29/31/1331432931.db2.gz KNJKEZFKTHVJFK-POAQFYNOSA-N 1 3 344.503 2.100 10 0 EEAEHO CCN(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ocnc1C)c1ccccc1 ZINC001317647301 1332346758 /nfs/dbraw/zinc/34/67/58/1332346758.db2.gz BYTCNBCQSXKZKH-GOSISDBHSA-N 1 3 344.459 2.224 10 0 EEAEHO CC[N@H+](C)[C@@H](C(=O)N(C)CCNCc1ocnc1C)c1ccccc1 ZINC001317647301 1332346760 /nfs/dbraw/zinc/34/67/60/1332346760.db2.gz BYTCNBCQSXKZKH-GOSISDBHSA-N 1 3 344.459 2.224 10 0 EEAEHO CC[N@@H+](C)[C@@H](C(=O)N(C)CCNCc1ocnc1C)c1ccccc1 ZINC001317647301 1332346761 /nfs/dbraw/zinc/34/67/61/1332346761.db2.gz BYTCNBCQSXKZKH-GOSISDBHSA-N 1 3 344.459 2.224 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCC2C[NH+](CCCCc3ccccc3)C2)C1 ZINC001318153773 1332479992 /nfs/dbraw/zinc/47/99/92/1332479992.db2.gz AQDXNKFVUVHDMX-GOSISDBHSA-N 1 3 343.515 2.399 10 0 EEAEHO CC(C)COCC[NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001318956454 1332629028 /nfs/dbraw/zinc/62/90/28/1332629028.db2.gz NGSYODBLZQCDCE-QAQDUYKDSA-N 1 3 339.524 2.160 10 0 EEAEHO CC(C)OCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001318966581 1332630767 /nfs/dbraw/zinc/63/07/67/1332630767.db2.gz UQOTZPSIDCILPL-QAQDUYKDSA-N 1 3 339.524 2.303 10 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EEAEHO CCOCCN1CCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001661885648 1354717930 /nfs/dbraw/zinc/71/79/30/1354717930.db2.gz LPSIJQZENAMGIH-ROUUACIJSA-N 1 3 339.524 2.258 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C[NH2+]CCCC1CCOCC1 ZINC001661950810 1354728107 /nfs/dbraw/zinc/72/81/07/1354728107.db2.gz ZNKVESQWSKYQIO-GOSISDBHSA-N 1 3 348.491 2.130 10 0 EEAEHO C[C@@H](C[NH2+]CCc1ccccc1Cl)N(C)C(=O)Cc1c[nH]cn1 ZINC001667003248 1355630882 /nfs/dbraw/zinc/63/08/82/1355630882.db2.gz RRNUGPZYRFQFRX-ZDUSSCGKSA-N 1 3 334.851 2.285 10 0 EEAEHO Cc1ccc(CNC/C=C\CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c(C)n1 ZINC001668820361 1356012064 /nfs/dbraw/zinc/01/20/64/1356012064.db2.gz DWNRHSQFRGTHKZ-SFFCAUCYSA-N 1 3 344.503 2.333 10 0 EEAEHO Cc1ccc(CNC/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(C)n1 ZINC001668820361 1356012068 /nfs/dbraw/zinc/01/20/68/1356012068.db2.gz DWNRHSQFRGTHKZ-SFFCAUCYSA-N 1 3 344.503 2.333 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001668883251 1356034239 /nfs/dbraw/zinc/03/42/39/1356034239.db2.gz NUISFNOSMYHBJC-FKDQEEMOSA-N 1 3 342.487 2.169 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001668883251 1356034242 /nfs/dbraw/zinc/03/42/42/1356034242.db2.gz NUISFNOSMYHBJC-FKDQEEMOSA-N 1 3 342.487 2.169 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C\C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001669189316 1356120838 /nfs/dbraw/zinc/12/08/38/1356120838.db2.gz MTICJLOIKSIZIK-LLHWWHOWSA-N 1 3 341.499 2.464 10 0 EEAEHO CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CCOCC1 ZINC001671935034 1356441039 /nfs/dbraw/zinc/44/10/39/1356441039.db2.gz SCABVYSFCAIQEM-KRWDZBQOSA-N 1 3 337.508 2.080 10 0 EEAEHO CC/C=C\CC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCOCC1 ZINC001671934780 1356441079 /nfs/dbraw/zinc/44/10/79/1356441079.db2.gz HXECWYPGENIFLM-WAYWQWQTSA-N 1 3 337.508 2.082 10 0 EEAEHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CCO1 ZINC001673316883 1356665520 /nfs/dbraw/zinc/66/55/20/1356665520.db2.gz IKPZEXFKTHDLFR-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ccncc1C[NH2+]CCC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001675972948 1357079444 /nfs/dbraw/zinc/07/94/44/1357079444.db2.gz CJPACFBMLNCOIV-DOTOQJQBSA-N 1 3 332.492 2.106 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(C2CC2)ccn1 ZINC000823470572 787769032 /nfs/dbraw/zinc/76/90/32/787769032.db2.gz CDNVGQFGGJZEEI-AWEZNQCLSA-N 1 3 333.480 2.353 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(C2CC2)ccn1 ZINC000823470572 787769039 /nfs/dbraw/zinc/76/90/39/787769039.db2.gz CDNVGQFGGJZEEI-AWEZNQCLSA-N 1 3 333.480 2.353 10 0 EEAEHO COc1ccccc1NC(=O)[C@H]1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000923441498 789567449 /nfs/dbraw/zinc/56/74/49/789567449.db2.gz MAAXTGUHSLIFHA-PMPSAXMXSA-N 1 3 331.460 2.201 10 0 EEAEHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1ccc(C(F)(F)F)cn1)CC2 ZINC000923450445 789581094 /nfs/dbraw/zinc/58/10/94/789581094.db2.gz HJUOTHJUFNSLCE-CQSZACIVSA-N 1 3 329.366 2.430 10 0 EEAEHO CC(C)Oc1ccc(CCNC(=O)CN2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923498249 789676031 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1091405532 /nfs/dbraw/zinc/40/55/32/1091405532.db2.gz CTKATMBUWRQICC-IAGOWNOFSA-N 1 3 339.524 2.016 10 0 EEAEHO CC(C)[C@H](C(=O)NC[C@@H](NCc1ccccn1)C(C)C)[NH+]1CCCC1 ZINC001438845312 1091482408 /nfs/dbraw/zinc/48/24/08/1091482408.db2.gz GHTXUGCTOUKYCQ-RTBURBONSA-N 1 3 346.519 2.432 10 0 EEAEHO C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001439257058 1091907665 /nfs/dbraw/zinc/90/76/65/1091907665.db2.gz XSECNXVDTIMKNN-KXBFYZLASA-N 1 3 335.467 2.493 10 0 EEAEHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]Cc1ccns1 ZINC001439517316 1092362895 /nfs/dbraw/zinc/36/28/95/1092362895.db2.gz RWALEWKMWTZWSP-HOCLYGCPSA-N 1 3 338.521 2.200 10 0 EEAEHO Cc1cc(CN2CC[C@@H]([C@H]3CCCCN3C(=O)CC[NH+](C)C)C2)on1 ZINC001446300980 1092469844 /nfs/dbraw/zinc/46/98/44/1092469844.db2.gz ZUWSUPOPHBDSFU-SJLPKXTDSA-N 1 3 348.491 2.138 10 0 EEAEHO COCC[N@H+](CCC(C)C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001446305373 1092478989 /nfs/dbraw/zinc/47/89/89/1092478989.db2.gz HGLZGCGNMLOGIP-UHFFFAOYSA-N 1 3 339.524 2.068 10 0 EEAEHO COCC[N@@H+](CCC(C)C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001446305373 1092478996 /nfs/dbraw/zinc/47/89/96/1092478996.db2.gz HGLZGCGNMLOGIP-UHFFFAOYSA-N 1 3 339.524 2.068 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)C[C@H]1CCCCO1 ZINC001440519079 1093769738 /nfs/dbraw/zinc/76/97/38/1093769738.db2.gz OTHSOYAAMMBGEQ-ZWKOTPCHSA-N 1 3 339.524 2.209 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)C[C@H]1CCCCO1 ZINC001440519079 1093769743 /nfs/dbraw/zinc/76/97/43/1093769743.db2.gz OTHSOYAAMMBGEQ-ZWKOTPCHSA-N 1 3 339.524 2.209 10 0 EEAEHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCc1ccc(F)c(F)c1 ZINC001448730707 1093802009 /nfs/dbraw/zinc/80/20/09/1093802009.db2.gz HWDOJRYQXIQIRH-CYBMUJFWSA-N 1 3 339.430 2.243 10 0 EEAEHO CC[C@@H](C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCCN2CC)CC1)OC ZINC001440612108 1093878505 /nfs/dbraw/zinc/87/85/05/1093878505.db2.gz AFRCUARZGRMTIM-IRXDYDNUSA-N 1 3 339.524 2.257 10 0 EEAEHO C[C@H]1C[C@H](NCc2ccccc2OC2CC2)CN1C(=O)CC[NH+](C)C ZINC001449033622 1094045861 /nfs/dbraw/zinc/04/58/61/1094045861.db2.gz TWYJXFBPFGOVBP-RDJZCZTQSA-N 1 3 345.487 2.259 10 0 EEAEHO CN(CC(=O)N1C[C@H]([NH2+]Cc2cccnc2)C(C)(C)C1)CC(C)(C)C ZINC001449074755 1094088918 /nfs/dbraw/zinc/08/89/18/1094088918.db2.gz CUADEHAGYZKLBB-KRWDZBQOSA-N 1 3 346.519 2.386 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1c(C)nsc1C ZINC001440844732 1094102366 /nfs/dbraw/zinc/10/23/66/1094102366.db2.gz DOUQHGWFKVLKLF-RYUDHWBXSA-N 1 3 326.510 2.085 10 0 EEAEHO CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cccnc1)[NH+](C)C ZINC001441447475 1095081676 /nfs/dbraw/zinc/08/16/76/1095081676.db2.gz QGLLWNGMCPRPMK-IPQPSQTFSA-N 1 3 344.503 2.279 10 0 EEAEHO Cc1ccncc1CN1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001441473209 1095138137 /nfs/dbraw/zinc/13/81/37/1095138137.db2.gz JDVCIFUISOVXLV-PKOBYXMFSA-N 1 3 344.503 2.155 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2cnc(C)s2)C(C)(C)C1 ZINC001441938573 1096132429 /nfs/dbraw/zinc/13/24/29/1096132429.db2.gz SGJJCDIICGRDSX-OAHLLOKOSA-N 1 3 338.521 2.120 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2cnc(C)s2)C(C)(C)C1 ZINC001441938573 1096132436 /nfs/dbraw/zinc/13/24/36/1096132436.db2.gz SGJJCDIICGRDSX-OAHLLOKOSA-N 1 3 338.521 2.120 10 0 EEAEHO CO[C@H](C)CN(C)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001442127573 1096366369 /nfs/dbraw/zinc/36/63/69/1096366369.db2.gz VUBJPLORVGDYME-MSOLQXFVSA-N 1 3 341.540 2.455 10 0 EEAEHO COc1ccc(C[NH2+]C2CC(N(C)C(=O)CN(C)C(C)C)C2)cc1 ZINC001442256716 1096557990 /nfs/dbraw/zinc/55/79/90/1096557990.db2.gz HHZWHNXQMQVXCK-UHFFFAOYSA-N 1 3 333.476 2.114 10 0 EEAEHO CCCN(C)CC(=O)NC1(C2CC[NH+](CC[C@@H](C)F)CC2)CC1 ZINC001442264805 1096568443 /nfs/dbraw/zinc/56/84/43/1096568443.db2.gz BUENCOMKMHIEKQ-OAHLLOKOSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@H](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1ccc(F)cn1 ZINC001442361233 1096683990 /nfs/dbraw/zinc/68/39/90/1096683990.db2.gz WUJJHAJCZREVEL-RHSMWYFYSA-N 1 3 336.455 2.080 10 0 EEAEHO C[C@H](CCNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1ccc(F)cn1 ZINC001442361233 1096683994 /nfs/dbraw/zinc/68/39/94/1096683994.db2.gz WUJJHAJCZREVEL-RHSMWYFYSA-N 1 3 336.455 2.080 10 0 EEAEHO Cc1cc(Cl)ccc1CN(C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001442570118 1096934676 /nfs/dbraw/zinc/93/46/76/1096934676.db2.gz AEGSUUSIUOMUJL-UHFFFAOYSA-N 1 3 335.879 2.292 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC001442911929 1097318200 /nfs/dbraw/zinc/31/82/00/1097318200.db2.gz WCFDJQPFHUIZEU-QFBILLFUSA-N 1 3 329.488 2.452 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001442911929 1097318206 /nfs/dbraw/zinc/31/82/06/1097318206.db2.gz WCFDJQPFHUIZEU-QFBILLFUSA-N 1 3 329.488 2.452 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001442914824 1097323817 /nfs/dbraw/zinc/32/38/17/1097323817.db2.gz XFGJVUVWIRDIRP-QGZVFWFLSA-N 1 3 342.487 2.448 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001442914824 1097323823 /nfs/dbraw/zinc/32/38/23/1097323823.db2.gz XFGJVUVWIRDIRP-QGZVFWFLSA-N 1 3 342.487 2.448 10 0 EEAEHO CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCOCC2)C1)N(CC)CC ZINC001443423091 1097924430 /nfs/dbraw/zinc/92/44/30/1097924430.db2.gz GRHUQUWKTKDIJX-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCOCC2)C1)N(CC)CC ZINC001443423091 1097924432 /nfs/dbraw/zinc/92/44/32/1097924432.db2.gz GRHUQUWKTKDIJX-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCCN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001479907068 1099297285 /nfs/dbraw/zinc/29/72/85/1099297285.db2.gz HWTJTWWBJPMVNQ-QGZVFWFLSA-N 1 3 339.524 2.116 10 0 EEAEHO C[C@H](CNCc1cccc(Cl)c1F)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444716247 1099578961 /nfs/dbraw/zinc/57/89/61/1099578961.db2.gz CKPLLDANCDNAJC-TZMCWYRMSA-N 1 3 341.858 2.367 10 0 EEAEHO C[C@H](CNCc1cccc(Cl)c1F)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001444716247 1099578971 /nfs/dbraw/zinc/57/89/71/1099578971.db2.gz CKPLLDANCDNAJC-TZMCWYRMSA-N 1 3 341.858 2.367 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CCOC(C)C)CC[C@@H]21 ZINC001480187379 1099780933 /nfs/dbraw/zinc/78/09/33/1099780933.db2.gz CBQGLUYWZSQIHG-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CCOC(C)C)CC[C@@H]21 ZINC001480187379 1099780937 /nfs/dbraw/zinc/78/09/37/1099780937.db2.gz CBQGLUYWZSQIHG-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1ncsc1C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001480224775 1099845375 /nfs/dbraw/zinc/84/53/75/1099845375.db2.gz UKHSPBGLFPKQJF-OKILXGFUSA-N 1 3 338.521 2.166 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC001480238361 1099869615 /nfs/dbraw/zinc/86/96/15/1099869615.db2.gz RVISUCZYSQRQCE-GASCZTMLSA-N 1 3 325.403 2.042 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccn(CC)n2)C[C@H]1C ZINC001446417170 1100827758 /nfs/dbraw/zinc/82/77/58/1100827758.db2.gz JSUCKLFNEFHDLN-SJORKVTESA-N 1 3 349.523 2.104 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccn(CC)n2)C[C@H]1C ZINC001446417170 1100827767 /nfs/dbraw/zinc/82/77/67/1100827767.db2.gz JSUCKLFNEFHDLN-SJORKVTESA-N 1 3 349.523 2.104 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2)[C@@H](C)C1 ZINC001496376203 1100968954 /nfs/dbraw/zinc/96/89/54/1100968954.db2.gz PLYOJVGAVDYMRN-HKUYNNGSSA-N 1 3 331.504 2.396 10 0 EEAEHO Cc1cc(CNCC[C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)on1 ZINC001495377087 1101095490 /nfs/dbraw/zinc/09/54/90/1101095490.db2.gz CILZEIYCKKQLCK-DLBZAZTESA-N 1 3 348.491 2.043 10 0 EEAEHO Cc1cc(CNCC[C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)on1 ZINC001495377087 1101095495 /nfs/dbraw/zinc/09/54/95/1101095495.db2.gz CILZEIYCKKQLCK-DLBZAZTESA-N 1 3 348.491 2.043 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCC(CC[NH2+]Cc3ccccn3)CC2)C1 ZINC001495430638 1101149020 /nfs/dbraw/zinc/14/90/20/1101149020.db2.gz UXCAJUBUKGQNBT-QGZVFWFLSA-N 1 3 344.503 2.142 10 0 EEAEHO CC(C)[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC=C(Cl)Cl ZINC001496562035 1101163592 /nfs/dbraw/zinc/16/35/92/1101163592.db2.gz ONQYCRYWXZGLHN-KGLIPLIRSA-N 1 3 348.318 2.378 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NCCC2CCN(C/C=C\Cl)CC2)C1 ZINC001495535974 1101252038 /nfs/dbraw/zinc/25/20/38/1101252038.db2.gz NVAARONIIANWJO-CGGYKVPPSA-N 1 3 327.900 2.299 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NCCC2CCN(C/C=C\Cl)CC2)C1 ZINC001495535974 1101252043 /nfs/dbraw/zinc/25/20/43/1101252043.db2.gz NVAARONIIANWJO-CGGYKVPPSA-N 1 3 327.900 2.299 10 0 EEAEHO C[NH+](C)CCC(=O)NCC1(NCc2cccc(F)c2F)CCCC1 ZINC001495939327 1101793780 /nfs/dbraw/zinc/79/37/80/1101793780.db2.gz HLRSJJCFRKUYPL-UHFFFAOYSA-N 1 3 339.430 2.435 10 0 EEAEHO Cc1nocc1CNC1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001495963267 1101841451 /nfs/dbraw/zinc/84/14/51/1101841451.db2.gz HCVXTMZDGDTDCF-GASCZTMLSA-N 1 3 348.491 2.374 10 0 EEAEHO Cc1nocc1CNC1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001495963267 1101841458 /nfs/dbraw/zinc/84/14/58/1101841458.db2.gz HCVXTMZDGDTDCF-GASCZTMLSA-N 1 3 348.491 2.374 10 0 EEAEHO Cc1cnc([C@@H](C)NCC[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)cn1 ZINC001447076998 1101937647 /nfs/dbraw/zinc/93/76/47/1101937647.db2.gz JEFQLOHDTRPCKF-SJORKVTESA-N 1 3 347.507 2.016 10 0 EEAEHO C[C@H](C[NH2+]Cc1ccc(C2CC2)cc1)N(C)C(=O)Cc1c[nH]cn1 ZINC001496168918 1102161545 /nfs/dbraw/zinc/16/15/45/1102161545.db2.gz GVIKTZYBMFRUQC-CQSZACIVSA-N 1 3 326.444 2.466 10 0 EEAEHO O=C(NCC1(NCc2cncs2)CCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001447248273 1102290032 /nfs/dbraw/zinc/29/00/32/1102290032.db2.gz RHSLQNPNVXIBEM-GDBMZVCRSA-N 1 3 348.516 2.289 10 0 EEAEHO O=C(NCC1(NCc2cncs2)CCC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001447248273 1102290039 /nfs/dbraw/zinc/29/00/39/1102290039.db2.gz RHSLQNPNVXIBEM-GDBMZVCRSA-N 1 3 348.516 2.289 10 0 EEAEHO Cc1nn(C(C)C)cc1C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCC1 ZINC001447249943 1102294497 /nfs/dbraw/zinc/29/44/97/1102294497.db2.gz HAWZGKYUYLWJNC-UHFFFAOYSA-N 1 3 349.523 2.241 10 0 EEAEHO CCN(CC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)[C@@H](C(C)C)N(C)C ZINC001497486798 1102565743 /nfs/dbraw/zinc/56/57/43/1102565743.db2.gz UGKXNXWGJIXBIZ-LSDHHAIUSA-N 1 3 333.467 2.446 10 0 EEAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C\CNCc1cccc(F)c1 ZINC001497598123 1102725212 /nfs/dbraw/zinc/72/52/12/1102725212.db2.gz ACLPMHYMFMKSKW-KVLZDYKBSA-N 1 3 333.451 2.462 10 0 EEAEHO C[N@H+]1CCC[C@H]1CCC(=O)NC/C=C\CNCc1cccc(F)c1 ZINC001497598123 1102725218 /nfs/dbraw/zinc/72/52/18/1102725218.db2.gz ACLPMHYMFMKSKW-KVLZDYKBSA-N 1 3 333.451 2.462 10 0 EEAEHO Cc1ncc(CNC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)s1 ZINC001498044131 1106827219 /nfs/dbraw/zinc/82/72/19/1106827219.db2.gz RLKYKAUAMYEIDA-ZDUSSCGKSA-N 1 3 338.521 2.310 10 0 EEAEHO CCOCC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001480693176 1106894896 /nfs/dbraw/zinc/89/48/96/1106894896.db2.gz MKEJYVXBDWSXJI-SJORKVTESA-N 1 3 339.524 2.304 10 0 EEAEHO Cc1ncc(CN[C@H](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)o1 ZINC001480763048 1107066650 /nfs/dbraw/zinc/06/66/50/1107066650.db2.gz DTNMSYQFPHBAOQ-CQSZACIVSA-N 1 3 336.480 2.232 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC)C[C@@H]1CC(C)(C)CO1 ZINC001493062768 1107423147 /nfs/dbraw/zinc/42/31/47/1107423147.db2.gz QTPXIKGYEAYTKH-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC)C[C@@H]1CC(C)(C)CO1 ZINC001493062768 1107423151 /nfs/dbraw/zinc/42/31/51/1107423151.db2.gz QTPXIKGYEAYTKH-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO CN(CCC[NH2+]Cc1ccc2ncccc2c1)C(=O)[C@H]1CCCN1C ZINC001498525428 1107672637 /nfs/dbraw/zinc/67/26/37/1107672637.db2.gz AINDNGIJZPDUAS-LJQANCHMSA-N 1 3 340.471 2.267 10 0 EEAEHO C[NH+](C)CCCCC(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001493255409 1107784052 /nfs/dbraw/zinc/78/40/52/1107784052.db2.gz SSXFVAFLFYORNK-KRWDZBQOSA-N 1 3 335.467 2.496 10 0 EEAEHO Cc1ccc(C[NH2+]CCCN(C)C(=O)CN2CCC(C)CC2)c(C)n1 ZINC001498629922 1107843313 /nfs/dbraw/zinc/84/33/13/1107843313.db2.gz GHZUNEVURZMPQL-UHFFFAOYSA-N 1 3 346.519 2.368 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001493806646 1108687406 /nfs/dbraw/zinc/68/74/06/1108687406.db2.gz MJWHBYLJSYTLKV-CYBMUJFWSA-N 1 3 327.419 2.414 10 0 EEAEHO CN1C[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C(C)(C)C1 ZINC001456161632 1109107838 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ZINC001568952049 1124987145 /nfs/dbraw/zinc/98/71/45/1124987145.db2.gz UOXJMWHNCLBPAP-UCAFPWNGSA-N 1 3 345.462 2.417 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC/C=C/CN[C@@H]2CCc3ccc(F)cc32)C1 ZINC001568952049 1124987160 /nfs/dbraw/zinc/98/71/60/1124987160.db2.gz UOXJMWHNCLBPAP-UCAFPWNGSA-N 1 3 345.462 2.417 10 0 EEAEHO Cc1ncc(CNCCCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)o1 ZINC001569202773 1125161354 /nfs/dbraw/zinc/16/13/54/1125161354.db2.gz ICUXDQACDOCQFL-UHFFFAOYSA-N 1 3 336.480 2.186 10 0 EEAEHO CCN1CCO[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379653405 539938604 /nfs/dbraw/zinc/93/86/04/539938604.db2.gz ZNOUZWWOZYXFOQ-MISYRCLQSA-N 1 3 331.504 2.350 10 0 EEAEHO CCN1CCO[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379653405 539938606 /nfs/dbraw/zinc/93/86/06/539938606.db2.gz ZNOUZWWOZYXFOQ-MISYRCLQSA-N 1 3 331.504 2.350 10 0 EEAEHO C[C@H]1C[C@H](NCC2(N3CCCCC3)CC[NH+](C)CC2)c2nccn21 ZINC000453113577 291145655 /nfs/dbraw/zinc/14/56/55/291145655.db2.gz FNGUFRYWRRLQHO-IRXDYDNUSA-N 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CC(C)N1CCN(CCC[NH+]2CCC(c3ccnn3C)CC2)CC1 ZINC000191468958 152257653 /nfs/dbraw/zinc/25/76/53/152257653.db2.gz FQNRXAVGRTVONN-UHFFFAOYSA-N 1 3 333.524 2.016 10 0 EEAEHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000377201954 154085038 /nfs/dbraw/zinc/08/50/38/154085038.db2.gz RBQAWWPNVHYVOS-RBUKOAKNSA-N 1 3 346.519 2.439 10 0 EEAEHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000377201954 154085043 /nfs/dbraw/zinc/08/50/43/154085043.db2.gz RBQAWWPNVHYVOS-RBUKOAKNSA-N 1 3 346.519 2.439 10 0 EEAEHO C[C@H](CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C)C[NH+]1CCCC1 ZINC000127962004 292333687 /nfs/dbraw/zinc/33/36/87/292333687.db2.gz WMWCXIWGJDRMBI-MJGOQNOKSA-N 1 3 346.519 2.190 10 0 EEAEHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000245688430 160247600 /nfs/dbraw/zinc/24/76/00/160247600.db2.gz WQWXWXMHSKHKJB-NZSAHSFTSA-N 1 3 344.503 2.463 10 0 EEAEHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000245688430 160247601 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343.515 2.492 10 0 EEAEHO COCCN1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000278688678 274390002 /nfs/dbraw/zinc/39/00/02/274390002.db2.gz KIAVHXCRWGXZCH-XSDIEEQYSA-N 1 3 343.515 2.492 10 0 EEAEHO COCCN1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000278688678 274390003 /nfs/dbraw/zinc/39/00/03/274390003.db2.gz KIAVHXCRWGXZCH-XSDIEEQYSA-N 1 3 343.515 2.492 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000494422149 276263079 /nfs/dbraw/zinc/26/30/79/276263079.db2.gz BEBKDECLNKUANP-RBUKOAKNSA-N 1 3 331.504 2.468 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](O)C2CCC2)CC1 ZINC000449740837 276263248 /nfs/dbraw/zinc/26/32/48/276263248.db2.gz RDVVHVSZCLDJLN-FQEVSTJZSA-N 1 3 331.504 2.469 10 0 EEAEHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000303428053 279282076 /nfs/dbraw/zinc/28/20/76/279282076.db2.gz BFXOQJVUOZOTBQ-MOPGFXCFSA-N 1 3 346.519 2.333 10 0 EEAEHO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000303428053 279282079 /nfs/dbraw/zinc/28/20/79/279282079.db2.gz BFXOQJVUOZOTBQ-MOPGFXCFSA-N 1 3 346.519 2.333 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc[nH]c1C1CC1 ZINC000284055665 293023826 /nfs/dbraw/zinc/02/38/26/293023826.db2.gz UTOHMWXBNGIQJQ-INIZCTEOSA-N 1 3 332.492 2.380 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc[nH]c1C1CC1 ZINC000284055665 293023828 /nfs/dbraw/zinc/02/38/28/293023828.db2.gz UTOHMWXBNGIQJQ-INIZCTEOSA-N 1 3 332.492 2.380 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)N(C)C)cc1 ZINC000416845931 313334409 /nfs/dbraw/zinc/33/44/09/313334409.db2.gz SMFVYQFFCPTSME-OLMNPRSZSA-N 1 3 332.492 2.149 10 0 EEAEHO C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)CN1 ZINC000416882830 313347600 /nfs/dbraw/zinc/34/76/00/313347600.db2.gz BAUVZEDAQXQRPX-HZPDHXFCSA-N 1 3 330.476 2.174 10 0 EEAEHO C[C@H](NC(C)(C)CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000417630424 313551991 /nfs/dbraw/zinc/55/19/91/313551991.db2.gz QXHWQIHNWZPPIS-VYDXJSESSA-N 1 3 332.492 2.413 10 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EEAEHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171756909 463920864 /nfs/dbraw/zinc/92/08/64/463920864.db2.gz VARMMNQTNDRHOE-PKOBYXMFSA-N 1 3 345.462 2.344 10 0 EEAEHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171756909 463920871 /nfs/dbraw/zinc/92/08/71/463920871.db2.gz VARMMNQTNDRHOE-PKOBYXMFSA-N 1 3 345.462 2.344 10 0 EEAEHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171897149 463943753 /nfs/dbraw/zinc/94/37/53/463943753.db2.gz AWAACQPUAQMKBU-RTBURBONSA-N 1 3 342.487 2.313 10 0 EEAEHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171897149 463943760 /nfs/dbraw/zinc/94/37/60/463943760.db2.gz AWAACQPUAQMKBU-RTBURBONSA-N 1 3 342.487 2.313 10 0 EEAEHO CN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](C)C2)[C@H]1c1ccccc1 ZINC000179191847 464077952 /nfs/dbraw/zinc/07/79/52/464077952.db2.gz XPWZTTYFQWKKIG-KBAYOESNSA-N 1 3 330.476 2.073 10 0 EEAEHO CN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](C)C2)[C@H]1c1ccccc1 ZINC000179191847 464077954 /nfs/dbraw/zinc/07/79/54/464077954.db2.gz XPWZTTYFQWKKIG-KBAYOESNSA-N 1 3 330.476 2.073 10 0 EEAEHO CN1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+](C)C2)[C@@H]1c1ccccc1 ZINC000245693009 464506633 /nfs/dbraw/zinc/50/66/33/464506633.db2.gz XPWZTTYFQWKKIG-NJAFHUGGSA-N 1 3 330.476 2.073 10 0 EEAEHO CN1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](C)C2)[C@@H]1c1ccccc1 ZINC000245693009 464506643 /nfs/dbraw/zinc/50/66/43/464506643.db2.gz XPWZTTYFQWKKIG-NJAFHUGGSA-N 1 3 330.476 2.073 10 0 EEAEHO CCOC(=O)c1csc(CCN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000191566899 464820722 /nfs/dbraw/zinc/82/07/22/464820722.db2.gz FLHILKUUVGRRAK-RWMBFGLXSA-N 1 3 325.478 2.181 10 0 EEAEHO CCOC(=O)c1csc(CCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000191566899 464820724 /nfs/dbraw/zinc/82/07/24/464820724.db2.gz FLHILKUUVGRRAK-RWMBFGLXSA-N 1 3 325.478 2.181 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000371137679 465612936 /nfs/dbraw/zinc/61/29/36/465612936.db2.gz BZMRWDHHNXRTNK-QAPCUYQASA-N 1 3 342.487 2.205 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000357282147 465910428 /nfs/dbraw/zinc/91/04/28/465910428.db2.gz HSDZJEBXQKVQED-GOSISDBHSA-N 1 3 329.488 2.076 10 0 EEAEHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000349710156 466200673 /nfs/dbraw/zinc/20/06/73/466200673.db2.gz FBXWWTVPAHYYBM-KRWDZBQOSA-N 1 3 326.529 2.480 10 0 EEAEHO CN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CN2CCC1CC2 ZINC000338536229 466204288 /nfs/dbraw/zinc/20/42/88/466204288.db2.gz MDSNSULRWVUDAX-IBGZPJMESA-N 1 3 327.472 2.449 10 0 EEAEHO CC(C)[NH+]1CCC(N[C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC000374595249 466686683 /nfs/dbraw/zinc/68/66/83/466686683.db2.gz SLWLHOQTEBSUMB-GOSISDBHSA-N 1 3 345.487 2.129 10 0 EEAEHO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000668477180 472139885 /nfs/dbraw/zinc/13/98/85/472139885.db2.gz WXLNXUGHRMRTGW-IPELMVKDSA-N 1 3 333.476 2.206 10 0 EEAEHO CN1CC[C@H](NC(=O)NCCC[C@H]2CCC[NH2+]2)[C@H]1c1ccccc1 ZINC000417946475 466998976 /nfs/dbraw/zinc/99/89/76/466998976.db2.gz RMGQTUXLILNZFG-FGTMMUONSA-N 1 3 330.476 2.263 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000417951510 466999819 /nfs/dbraw/zinc/99/98/19/466999819.db2.gz WZPZVBHLSSCPCJ-ROUUACIJSA-N 1 3 342.487 2.217 10 0 EEAEHO CCN(Cc1ccccc1)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424282781 467020610 /nfs/dbraw/zinc/02/06/10/467020610.db2.gz ALRCKXPVQWYJJN-QGZVFWFLSA-N 1 3 329.488 2.499 10 0 EEAEHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccco1 ZINC000418171765 467064695 /nfs/dbraw/zinc/06/46/95/467064695.db2.gz VOKKTKJZQFULBY-TXPKVOOTSA-N 1 3 348.491 2.494 10 0 EEAEHO C[C@H](NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[C@@H](c1ccccc1)N(C)C ZINC000418176419 467066516 /nfs/dbraw/zinc/06/65/16/467066516.db2.gz GXMKYAGIYARMFZ-XKGZKEIXSA-N 1 3 344.503 2.463 10 0 EEAEHO C[C@@H]([NH3+])c1ccc(CNC(=O)NCCCNCc2cccnc2)cc1 ZINC000418321565 467092620 /nfs/dbraw/zinc/09/26/20/467092620.db2.gz AWXDJMHVMMDLTM-OAHLLOKOSA-N 1 3 341.459 2.080 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000398095277 467447157 /nfs/dbraw/zinc/44/71/57/467447157.db2.gz XKRFKEKWPALEDO-LULLPPNCSA-N 1 3 329.488 2.388 10 0 EEAEHO Cc1ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c(OCCN(C)C)c1 ZINC000415203020 467517708 /nfs/dbraw/zinc/51/77/08/467517708.db2.gz KLTVYIBLQABJEL-GDBMZVCRSA-N 1 3 334.464 2.055 10 0 EEAEHO CC(=O)[C@@](C)(O)CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000450653279 467887660 /nfs/dbraw/zinc/88/76/60/467887660.db2.gz VPMYNUYXKZEDNN-IBGZPJMESA-N 1 3 330.472 2.315 10 0 EEAEHO CC(=O)[C@@](C)(O)CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000450653279 467887663 /nfs/dbraw/zinc/88/76/63/467887663.db2.gz VPMYNUYXKZEDNN-IBGZPJMESA-N 1 3 330.472 2.315 10 0 EEAEHO CC(=O)[C@@](C)(O)C[NH+]1CCC2(CCN(Cc3ccccc3)C2)CC1 ZINC000450653279 467887667 /nfs/dbraw/zinc/88/76/67/467887667.db2.gz VPMYNUYXKZEDNN-IBGZPJMESA-N 1 3 330.472 2.315 10 0 EEAEHO C[C@H](CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])N1CCC(C)CC1 ZINC000567821327 468216762 /nfs/dbraw/zinc/21/67/62/468216762.db2.gz ZBOQKAHRCPDZPF-APWZRJJASA-N 1 3 344.503 2.375 10 0 EEAEHO C[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)n1cccc1 ZINC000520569666 468259118 /nfs/dbraw/zinc/25/91/18/468259118.db2.gz UQWDNZSDBZFOSR-MRXNPFEDSA-N 1 3 332.492 2.114 10 0 EEAEHO CN(C)[C@@H](CNC(=O)CCN(C)c1cc[nH+]cc1)Cc1ccccc1 ZINC000561497597 468897541 /nfs/dbraw/zinc/89/75/41/468897541.db2.gz PBNWUDYDUHAWSG-LJQANCHMSA-N 1 3 340.471 2.197 10 0 EEAEHO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CCCN2CCN(C(C)C)CC2)[C@@H](C)C1 ZINC000599698036 469342197 /nfs/dbraw/zinc/34/21/97/469342197.db2.gz ULKCCZFYNIZCOK-BCDXTJNWSA-N 1 3 339.524 2.065 10 0 EEAEHO COC(=O)[C@@H]1C[C@@H](C)[N@H+](CCCN2CCN(C(C)C)CC2)[C@@H](C)C1 ZINC000599698036 469342199 /nfs/dbraw/zinc/34/21/99/469342199.db2.gz ULKCCZFYNIZCOK-BCDXTJNWSA-N 1 3 339.524 2.065 10 0 EEAEHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCCN(C)C1)Cc1ccccc1 ZINC000618555474 469387657 /nfs/dbraw/zinc/38/76/57/469387657.db2.gz ZRHZWZVYDCGFMK-MOPGFXCFSA-N 1 3 346.519 2.333 10 0 EEAEHO CC[C@@H](C(=O)N1CCC(CC)(N2CCOCC2)CC1)[NH+](CC)CC ZINC000629418110 469535626 /nfs/dbraw/zinc/53/56/26/469535626.db2.gz NPHFPUQAEVRPGI-KRWDZBQOSA-N 1 3 339.524 2.210 10 0 EEAEHO CC(C)(C)N1CC[C@@H]1CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000617007543 469569049 /nfs/dbraw/zinc/56/90/49/469569049.db2.gz VKZALZMOOJZKBG-HZPDHXFCSA-N 1 3 339.549 2.193 10 0 EEAEHO CN1CC[C@H]([NH2+]CCn2cc(Br)ccc2=O)CC1(C)C ZINC000623535296 469686813 /nfs/dbraw/zinc/68/68/13/469686813.db2.gz UIHHJAPIDHYTJU-ZDUSSCGKSA-N 1 3 342.281 2.073 10 0 EEAEHO Cc1ccc(SCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000617503461 469701349 /nfs/dbraw/zinc/70/13/49/469701349.db2.gz KGJPHLQPIWIHQZ-INIZCTEOSA-N 1 3 337.533 2.475 10 0 EEAEHO Cc1ccc(SCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000617503461 469701351 /nfs/dbraw/zinc/70/13/51/469701351.db2.gz KGJPHLQPIWIHQZ-INIZCTEOSA-N 1 3 337.533 2.475 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc2ccc(F)cc2c1 ZINC000617506303 469705646 /nfs/dbraw/zinc/70/56/46/469705646.db2.gz JSHZLSQEFBOTHE-AWEZNQCLSA-N 1 3 346.450 2.376 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc2ccc(F)cc2c1 ZINC000617506303 469705651 /nfs/dbraw/zinc/70/56/51/469705651.db2.gz JSHZLSQEFBOTHE-AWEZNQCLSA-N 1 3 346.450 2.376 10 0 EEAEHO COc1ccc(C(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000617506389 469706627 /nfs/dbraw/zinc/70/66/27/469706627.db2.gz LRXUKURJUQVKAG-INIZCTEOSA-N 1 3 349.519 2.361 10 0 EEAEHO COc1ccc(C(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000617506389 469706630 /nfs/dbraw/zinc/70/66/30/469706630.db2.gz LRXUKURJUQVKAG-INIZCTEOSA-N 1 3 349.519 2.361 10 0 EEAEHO Cc1nc(C2CC2)ccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507693 469708409 /nfs/dbraw/zinc/70/84/09/469708409.db2.gz GAYBNDALVWDDNE-AWEZNQCLSA-N 1 3 332.492 2.269 10 0 EEAEHO Cc1nc(C2CC2)ccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507693 469708416 /nfs/dbraw/zinc/70/84/16/469708416.db2.gz GAYBNDALVWDDNE-AWEZNQCLSA-N 1 3 332.492 2.269 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2CC)N(C)C)cc1 ZINC000626921897 469754920 /nfs/dbraw/zinc/75/49/20/469754920.db2.gz LUUGAAVSUOKAPR-RCCFBDPRSA-N 1 3 332.492 2.291 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000626946495 469765354 /nfs/dbraw/zinc/76/53/54/469765354.db2.gz RDDSKIMSZGJKMG-LAVFITLUSA-N 1 3 330.476 2.262 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000627237468 469852401 /nfs/dbraw/zinc/85/24/01/469852401.db2.gz DUXGPZWSUWUZHV-XJKSGUPXSA-N 1 3 338.883 2.164 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000627240295 469853417 /nfs/dbraw/zinc/85/34/17/469853417.db2.gz TXHCZXCAHVFWIF-SOLBZPMBSA-N 1 3 330.476 2.043 10 0 EEAEHO C[C@@H]1CCCCN1CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000624138718 469853845 /nfs/dbraw/zinc/85/38/45/469853845.db2.gz WTNMRDBMIPEGOB-NZSAHSFTSA-N 1 3 329.488 2.322 10 0 EEAEHO C[C@@H]1CCCCN1CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000624138718 469853849 /nfs/dbraw/zinc/85/38/49/469853849.db2.gz WTNMRDBMIPEGOB-NZSAHSFTSA-N 1 3 329.488 2.322 10 0 EEAEHO CN1CCOC[C@@H]1CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000624175745 469865586 /nfs/dbraw/zinc/86/55/86/469865586.db2.gz WFQWOGLJTSYATK-XSDIEEQYSA-N 1 3 343.515 2.207 10 0 EEAEHO CN1CCOC[C@@H]1CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000624175745 469865591 /nfs/dbraw/zinc/86/55/91/469865591.db2.gz WFQWOGLJTSYATK-XSDIEEQYSA-N 1 3 343.515 2.207 10 0 EEAEHO CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000624175745 469865594 /nfs/dbraw/zinc/86/55/94/469865594.db2.gz WFQWOGLJTSYATK-XSDIEEQYSA-N 1 3 343.515 2.207 10 0 EEAEHO C[C@@](O)(C[C@H](O)CNCc1cccc(C[NH+]2CCCC2)c1)C1CC1 ZINC000634700403 470281290 /nfs/dbraw/zinc/28/12/90/470281290.db2.gz ZKMNJVVZTKEGCK-VQTJNVASSA-N 1 3 332.488 2.284 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](C1CCC1)C1CCCC1 ZINC000645785801 470416444 /nfs/dbraw/zinc/41/64/44/470416444.db2.gz VOYZHOJMZFQZIH-SFHVURJKSA-N 1 3 338.540 2.480 10 0 EEAEHO CC[NH+](CC)CCC[C@H](C)NCc1ccc(S(N)(=O)=O)cc1F ZINC000647166472 470846606 /nfs/dbraw/zinc/84/66/06/470846606.db2.gz PCOYXMVDVARSPC-ZDUSSCGKSA-N 1 3 345.484 2.073 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC34CCCC4)CC2)CC1 ZINC000650797962 470969945 /nfs/dbraw/zinc/96/99/45/470969945.db2.gz ITGZXFKYUUQTCK-UHFFFAOYSA-N 1 3 334.508 2.273 10 0 EEAEHO Cn1ncc(C2CC2)c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657537432 471163648 /nfs/dbraw/zinc/16/36/48/471163648.db2.gz KXFSDHDPLGPNAN-UHFFFAOYSA-N 1 3 332.492 2.278 10 0 EEAEHO C[NH2+]Cc1ccccc1CNC(=O)NCCN(C)Cc1ccccc1 ZINC000652137388 471242689 /nfs/dbraw/zinc/24/26/89/471242689.db2.gz JGURERZDJPYONJ-UHFFFAOYSA-N 1 3 340.471 2.337 10 0 EEAEHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@H]1COC2(CCC2)C1 ZINC000657969618 471254119 /nfs/dbraw/zinc/25/41/19/471254119.db2.gz SFOMALQVIWDUDG-RTBURBONSA-N 1 3 330.472 2.445 10 0 EEAEHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@H]1COC2(CCC2)C1 ZINC000657969618 471254121 /nfs/dbraw/zinc/25/41/21/471254121.db2.gz SFOMALQVIWDUDG-RTBURBONSA-N 1 3 330.472 2.445 10 0 EEAEHO CN(C(=O)NCCC1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000652315893 471271412 /nfs/dbraw/zinc/27/14/12/471271412.db2.gz HQEQCAPDIJBAIH-IBGZPJMESA-N 1 3 344.503 2.292 10 0 EEAEHO C[C@@H]1CN(C(=O)N[C@H]2CCCN(C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000652418141 471288883 /nfs/dbraw/zinc/28/88/83/471288883.db2.gz UDJYKOLCXXKFGG-HKUYNNGSSA-N 1 3 344.503 2.244 10 0 EEAEHO C[C@@H]1CN(C(=O)N[C@H]2CCCN(C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000652418141 471288885 /nfs/dbraw/zinc/28/88/85/471288885.db2.gz UDJYKOLCXXKFGG-HKUYNNGSSA-N 1 3 344.503 2.244 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)CC1 ZINC000660572669 471398282 /nfs/dbraw/zinc/39/82/82/471398282.db2.gz DHCYAKXAZKJNFW-GJYPPUQNSA-N 1 3 348.535 2.280 10 0 EEAEHO CCOc1ccccc1CNC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663503919 471402960 /nfs/dbraw/zinc/40/29/60/471402960.db2.gz SYNDTYVMONOZPZ-UHFFFAOYSA-N 1 3 333.476 2.166 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccnn1C(C)(C)C ZINC000666786288 471536317 /nfs/dbraw/zinc/53/63/17/471536317.db2.gz JCIROSLRWOEDQG-AWEZNQCLSA-N 1 3 338.500 2.032 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccnn1C(C)(C)C ZINC000666786288 471536319 /nfs/dbraw/zinc/53/63/19/471536319.db2.gz JCIROSLRWOEDQG-AWEZNQCLSA-N 1 3 338.500 2.032 10 0 EEAEHO C[C@]1(CNC(=O)NCC[NH2+]C2CC2)CCCN1Cc1ccccc1 ZINC000669565908 471560253 /nfs/dbraw/zinc/56/02/53/471560253.db2.gz WYTUWISBWCZOIE-LJQANCHMSA-N 1 3 330.476 2.092 10 0 EEAEHO C[C@H]1C[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CN1C1CC1 ZINC000659467404 471641869 /nfs/dbraw/zinc/64/18/69/471641869.db2.gz MAIBPIHWNFUDBZ-IAAVTCLWSA-N 1 3 342.487 2.057 10 0 EEAEHO C[C@H](CCN1CCC[C@](O)(C2CC2)C1)[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661628562 471833975 /nfs/dbraw/zinc/83/39/75/471833975.db2.gz VQKNHIKTMQCOKC-NSISKUIASA-N 1 3 336.520 2.239 10 0 EEAEHO C[C@H](CCN1CCC[C@](O)(C2CC2)C1)[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661628562 471833977 /nfs/dbraw/zinc/83/39/77/471833977.db2.gz VQKNHIKTMQCOKC-NSISKUIASA-N 1 3 336.520 2.239 10 0 EEAEHO C[C@H](CC[N@@H+]1CCC[C@](O)(C2CC2)C1)N1CCC[C@](O)(C2CC2)C1 ZINC000661628562 471833979 /nfs/dbraw/zinc/83/39/79/471833979.db2.gz VQKNHIKTMQCOKC-NSISKUIASA-N 1 3 336.520 2.239 10 0 EEAEHO C[C@H](CC[N@H+]1CCC[C@](O)(C2CC2)C1)N1CCC[C@](O)(C2CC2)C1 ZINC000661628562 471833981 /nfs/dbraw/zinc/83/39/81/471833981.db2.gz VQKNHIKTMQCOKC-NSISKUIASA-N 1 3 336.520 2.239 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cccc2cc[nH]c21 ZINC000664728237 471845941 /nfs/dbraw/zinc/84/59/41/471845941.db2.gz MKNPFWMPCPLZLZ-HNNXBMFYSA-N 1 3 345.491 2.239 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cccc2cc[nH]c21 ZINC000664728237 471845945 /nfs/dbraw/zinc/84/59/45/471845945.db2.gz MKNPFWMPCPLZLZ-HNNXBMFYSA-N 1 3 345.491 2.239 10 0 EEAEHO CO[C@@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCCC1 ZINC000660128047 471874369 /nfs/dbraw/zinc/87/43/69/471874369.db2.gz IJTDQZDUJBKVJC-XNMUZJSGSA-N 1 3 335.536 2.434 10 0 EEAEHO CO[C@@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CCCC1 ZINC000660128047 471874373 /nfs/dbraw/zinc/87/43/73/471874373.db2.gz IJTDQZDUJBKVJC-XNMUZJSGSA-N 1 3 335.536 2.434 10 0 EEAEHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000667789519 471905420 /nfs/dbraw/zinc/90/54/20/471905420.db2.gz QQISDMMJKYXQSQ-LEWJYISDSA-N 1 3 343.515 2.481 10 0 EEAEHO CC[NH+]1CCC(CNC(=O)Nc2ccc3c(c2F)CCNC3)CC1 ZINC000667831564 471922345 /nfs/dbraw/zinc/92/23/45/471922345.db2.gz WZVWULMOGKWUTG-UHFFFAOYSA-N 1 3 334.439 2.325 10 0 EEAEHO CCOc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000665124367 471950644 /nfs/dbraw/zinc/95/06/44/471950644.db2.gz RMEHPDVYIRUHJI-HNNXBMFYSA-N 1 3 336.480 2.479 10 0 EEAEHO CCOc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000665124367 471950649 /nfs/dbraw/zinc/95/06/49/471950649.db2.gz RMEHPDVYIRUHJI-HNNXBMFYSA-N 1 3 336.480 2.479 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000665639297 472119942 /nfs/dbraw/zinc/11/99/42/472119942.db2.gz UHQDVIZBQXHTEQ-IKGGRYGDSA-N 1 3 326.529 2.479 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000665639297 472119947 /nfs/dbraw/zinc/11/99/47/472119947.db2.gz UHQDVIZBQXHTEQ-IKGGRYGDSA-N 1 3 326.529 2.479 10 0 EEAEHO C[C@H](c1cccnc1)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665639859 472120051 /nfs/dbraw/zinc/12/00/51/472120051.db2.gz GZBHAXILKISAPE-JKSUJKDBSA-N 1 3 335.496 2.056 10 0 EEAEHO C[C@H](c1cccnc1)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665639859 472120054 /nfs/dbraw/zinc/12/00/54/472120054.db2.gz GZBHAXILKISAPE-JKSUJKDBSA-N 1 3 335.496 2.056 10 0 EEAEHO C[C@@H]1CN(CCCCNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C[C@@H](C)O1 ZINC000662689765 472208682 /nfs/dbraw/zinc/20/86/82/472208682.db2.gz XLJGCGFBMLXYGF-MDZRGWNJSA-N 1 3 345.487 2.227 10 0 EEAEHO CC[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cnn(C)c1 ZINC000658143667 485572858 /nfs/dbraw/zinc/57/28/58/485572858.db2.gz ZTBKZMRTPUJMPV-OALUTQOASA-N 1 3 328.460 2.228 10 0 EEAEHO CC[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cnn(C)c1 ZINC000658143667 485572867 /nfs/dbraw/zinc/57/28/67/485572867.db2.gz ZTBKZMRTPUJMPV-OALUTQOASA-N 1 3 328.460 2.228 10 0 EEAEHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H]1CCCN(C)C1)[NH+](C)C ZINC000672754011 486186199 /nfs/dbraw/zinc/18/61/99/486186199.db2.gz HOUBUCLDZVNEJD-NUJGCVRESA-N 1 3 332.492 2.380 10 0 EEAEHO CN(C(=O)N[C@@H]1CCCN(C)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074857761 490592300 /nfs/dbraw/zinc/59/23/00/490592300.db2.gz WNULKYRXWNSVEM-RTBURBONSA-N 1 3 344.503 2.387 10 0 EEAEHO CN(C(=O)N[C@@H]1CCCN(C)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074857761 490592302 /nfs/dbraw/zinc/59/23/02/490592302.db2.gz WNULKYRXWNSVEM-RTBURBONSA-N 1 3 344.503 2.387 10 0 EEAEHO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000266298355 535663368 /nfs/dbraw/zinc/66/33/68/535663368.db2.gz IKQZXXTWKXPCMV-MRXNPFEDSA-N 1 3 333.476 2.183 10 0 EEAEHO COC1([C@@H](C)NCc2ccccc2OCC[NH+](C)C)CCOCC1 ZINC000453092292 536710067 /nfs/dbraw/zinc/71/00/67/536710067.db2.gz QSMKDTXUDQGPQV-MRXNPFEDSA-N 1 3 336.476 2.301 10 0 EEAEHO CN1CC[C@@H](NC(=S)NCC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000760500031 577664227 /nfs/dbraw/zinc/66/42/27/577664227.db2.gz PLKBPULWWHFBKE-QZTJIDSGSA-N 1 3 346.544 2.238 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C(C)(C)OC)CC2)CC1 ZINC000928601316 684775550 /nfs/dbraw/zinc/77/55/50/684775550.db2.gz CQKOBJWCCTYUQB-OAHLLOKOSA-N 1 3 339.524 2.112 10 0 EEAEHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CO[C@H](C)[C@H]3C)cc2)CC1 ZINC000924693421 693174083 /nfs/dbraw/zinc/17/40/83/693174083.db2.gz ZCPLRDJNNNEVSO-MBOZVWFJSA-N 1 3 331.504 2.337 10 0 EEAEHO CCCN(C)CC(=O)N1CC2(C[C@H]1C)CC[NH+](CCOCC)CC2 ZINC001691960720 1176080892 /nfs/dbraw/zinc/08/08/92/1176080892.db2.gz VPPFOZCNPDXRDB-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO C[C@H]1CCCN(C(=O)CN(C)C2CCC2)[C@H]1CC[NH2+]CCCF ZINC001691297864 1177851819 /nfs/dbraw/zinc/85/18/19/1177851819.db2.gz MMJVCKLKUODFGF-RDJZCZTQSA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)(C(=O)NC[C@@H]1CCCN1CCOC1CCC1)[NH+]1CCCC1 ZINC001481052223 1179633952 /nfs/dbraw/zinc/63/39/52/1179633952.db2.gz LHCDXOFNBFNGAU-INIZCTEOSA-N 1 3 337.508 2.011 10 0 EEAEHO Cc1cc(CN2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@@H]32)on1 ZINC001268272762 1182122390 /nfs/dbraw/zinc/12/23/90/1182122390.db2.gz VWXDSKVVVGRMPO-AEFFLSMTSA-N 1 3 348.491 2.138 10 0 EEAEHO Cc1cc(CNCC[C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)ncn1 ZINC001268402310 1182498420 /nfs/dbraw/zinc/49/84/20/1182498420.db2.gz GIFQECQRNCTDTA-RDJZCZTQSA-N 1 3 347.507 2.034 10 0 EEAEHO CCCCOCCN1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481745098 1182498578 /nfs/dbraw/zinc/49/85/78/1182498578.db2.gz RDDFHSQCKWUKJM-SFHVURJKSA-N 1 3 339.524 2.068 10 0 EEAEHO C[C@H](CCNCc1cccc(F)c1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268425093 1182597063 /nfs/dbraw/zinc/59/70/63/1182597063.db2.gz YSGJQUJVBSBONJ-TZMCWYRMSA-N 1 3 341.858 2.415 10 0 EEAEHO C[C@H](CCNCc1cccc(F)c1Cl)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268425093 1182597067 /nfs/dbraw/zinc/59/70/67/1182597067.db2.gz YSGJQUJVBSBONJ-TZMCWYRMSA-N 1 3 341.858 2.415 10 0 EEAEHO CCN(CCNCc1cncn1C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001268462960 1182774428 /nfs/dbraw/zinc/77/44/28/1182774428.db2.gz UTEAXHDYPIODIW-UHFFFAOYSA-N 1 3 349.523 2.011 10 0 EEAEHO CCN(CCNCc1cncn1C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001268462960 1182774432 /nfs/dbraw/zinc/77/44/32/1182774432.db2.gz UTEAXHDYPIODIW-UHFFFAOYSA-N 1 3 349.523 2.011 10 0 EEAEHO C[C@@H]1CCCC[C@@]1(CNCc1ccccn1)NC(=O)CC[NH+](C)C ZINC001481962352 1183034816 /nfs/dbraw/zinc/03/48/16/1183034816.db2.gz QUVMSBJYVDGPTG-APWZRJJASA-N 1 3 332.492 2.188 10 0 EEAEHO Cc1ncc(C[NH2+]C[C@H](C)CNC(=O)C(C)(C)N2CCCCC2)o1 ZINC001482100625 1183329561 /nfs/dbraw/zinc/32/95/61/1183329561.db2.gz GTLIAYHMFHLJHL-AWEZNQCLSA-N 1 3 336.480 2.089 10 0 EEAEHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1cccc(N(C)C)c1 ZINC001482106597 1183341230 /nfs/dbraw/zinc/34/12/30/1183341230.db2.gz AVSYUOUJVRLKSR-MRXNPFEDSA-N 1 3 346.519 2.079 10 0 EEAEHO CCc1nocc1C[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001269943432 1184736458 /nfs/dbraw/zinc/73/64/58/1184736458.db2.gz NPUXFPDQTAWCBS-UHFFFAOYSA-N 1 3 348.491 2.051 10 0 EEAEHO C[C@H](CNCc1ccnc(Cl)c1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482353845 1185490832 /nfs/dbraw/zinc/49/08/32/1185490832.db2.gz LTIHFVSQFFFMAG-UKRRQHHQSA-N 1 3 338.883 2.013 10 0 EEAEHO C[C@H](CNCc1ccnc(Cl)c1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482353845 1185490837 /nfs/dbraw/zinc/49/08/37/1185490837.db2.gz LTIHFVSQFFFMAG-UKRRQHHQSA-N 1 3 338.883 2.013 10 0 EEAEHO COCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001271102002 1185886520 /nfs/dbraw/zinc/88/65/20/1185886520.db2.gz ONXNSIUXMCEFPQ-QAPCUYQASA-N 1 3 345.503 2.062 10 0 EEAEHO CN(C)Cc1cccc(C(=O)N[C@@H](C[NH2+]CCO)C2CCCCC2)c1 ZINC001271353755 1186156684 /nfs/dbraw/zinc/15/66/84/1186156684.db2.gz JFYZRHTZHZNLIU-IBGZPJMESA-N 1 3 347.503 2.009 10 0 EEAEHO Cc1ncccc1CNC/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001483067152 1188399475 /nfs/dbraw/zinc/39/94/75/1188399475.db2.gz AVJKGHBEHAFLOP-KTBRJVSMSA-N 1 3 342.487 2.169 10 0 EEAEHO Cc1ncccc1CNC/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001483067152 1188399481 /nfs/dbraw/zinc/39/94/81/1188399481.db2.gz AVJKGHBEHAFLOP-KTBRJVSMSA-N 1 3 342.487 2.169 10 0 EEAEHO Cc1ccc(F)c(CN[C@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001485915208 1193638798 /nfs/dbraw/zinc/63/87/98/1193638798.db2.gz TUNFEVBZKHXOEB-OAHLLOKOSA-N 1 3 335.467 2.412 10 0 EEAEHO Cc1oncc1CN[C@H](C)[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001409483058 1189844079 /nfs/dbraw/zinc/84/40/79/1189844079.db2.gz YSMQERLYPYEOAZ-KGLIPLIRSA-N 1 3 344.459 2.341 10 0 EEAEHO Cc1ccc(CNC2(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)c(C)n1 ZINC001483757187 1190982156 /nfs/dbraw/zinc/98/21/56/1190982156.db2.gz SXZOBNZZOLOMPN-UHFFFAOYSA-N 1 3 344.503 2.311 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1([NH2+]CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001483794554 1191033884 /nfs/dbraw/zinc/03/38/84/1191033884.db2.gz INODZHYHCMRLOK-GFCCVEGCSA-N 1 3 336.307 2.149 10 0 EEAEHO CN(C)C1(C(=O)N2CC[C@](C)(C[NH2+]CCCCCF)C2)CCC1 ZINC001484097528 1191209371 /nfs/dbraw/zinc/20/93/71/1191209371.db2.gz BHFIJODSKPKSJV-QGZVFWFLSA-N 1 3 327.488 2.439 10 0 EEAEHO Cc1cc(CNCC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)on1 ZINC001484542895 1191402809 /nfs/dbraw/zinc/40/28/09/1191402809.db2.gz ZHSTXTXRDOGHJL-KRWDZBQOSA-N 1 3 348.491 2.043 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)C2CCC([NH2+]C/C=C\Cl)CC2)C1 ZINC001485241406 1191706431 /nfs/dbraw/zinc/70/64/31/1191706431.db2.gz FRHSJZJNZATZMA-JBOPTNBHSA-N 1 3 327.900 2.440 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CC[C@H]2CCCO2)CC1)N(C)C ZINC001486438757 1193957900 /nfs/dbraw/zinc/95/79/00/1193957900.db2.gz YUAWUUUPXAEXQF-KBAYOESNSA-N 1 3 339.524 2.112 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](Cc2ncccc2C)CC1)N(C)C ZINC001486450041 1193964774 /nfs/dbraw/zinc/96/47/74/1193964774.db2.gz YUGMLJPUVARUDD-QFBILLFUSA-N 1 3 346.519 2.447 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001410128262 1197559124 /nfs/dbraw/zinc/55/91/24/1197559124.db2.gz VAQLXJVFCCWTDL-OWYHZJEWSA-N 1 3 329.488 2.383 10 0 EEAEHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001410128262 1197559129 /nfs/dbraw/zinc/55/91/29/1197559129.db2.gz VAQLXJVFCCWTDL-OWYHZJEWSA-N 1 3 329.488 2.383 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1scnc1C)C(C)(C)C)N(C)C ZINC001411211137 1198920369 /nfs/dbraw/zinc/92/03/69/1198920369.db2.gz VXMHNGBENXKDMW-UKRRQHHQSA-N 1 3 340.537 2.412 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC001411255943 1198985144 /nfs/dbraw/zinc/98/51/44/1198985144.db2.gz WJXRNTIDUHLUOR-UHFFFAOYSA-N 1 3 345.487 2.136 10 0 EEAEHO C[NH+](C)CC1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810647270 1199644110 /nfs/dbraw/zinc/64/41/10/1199644110.db2.gz FZZKLBCXTFYPFZ-JMLCCBQJSA-N 1 3 327.488 2.436 10 0 EEAEHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000870919137 1200952916 /nfs/dbraw/zinc/95/29/16/1200952916.db2.gz SOZQKRGBEFYYOU-JRBPQWBISA-N 1 3 327.472 2.457 10 0 EEAEHO CC(C)COCC[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001274252132 1204977173 /nfs/dbraw/zinc/97/71/73/1204977173.db2.gz SXCJMJFLXOQKLO-IRXDYDNUSA-N 1 3 341.540 2.073 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC/C=C\C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001274534368 1205070287 /nfs/dbraw/zinc/07/02/87/1205070287.db2.gz LNUAIFJZLHOITP-SFAKSCPVSA-N 1 3 340.418 2.348 10 0 EEAEHO Cc1ccncc1CNC/C=C\CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001274608232 1205095832 /nfs/dbraw/zinc/09/58/32/1205095832.db2.gz DUGBJVHWTAAXAK-HMECNJMJSA-N 1 3 344.503 2.272 10 0 EEAEHO CC(C)N(C)CC(=O)NC1(C[NH2+]CC[C@H]2CCCO2)CCCCC1 ZINC001276243405 1205851468 /nfs/dbraw/zinc/85/14/68/1205851468.db2.gz BKCZRJGDUWTQFS-QGZVFWFLSA-N 1 3 339.524 2.304 10 0 EEAEHO CCN1CCN(CCC[NH2+][C@H]2CCC[C@@H]2Cc2cc(C)nn2C)CC1 ZINC000924656969 1206012403 /nfs/dbraw/zinc/01/24/03/1206012403.db2.gz DXEPZCZBRXRGRY-QUCCMNQESA-N 1 3 347.551 2.057 10 0 EEAEHO CN1CCN(C[C@H](N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c2ccccc2)CC1 ZINC000925474573 1206116644 /nfs/dbraw/zinc/11/66/44/1206116644.db2.gz CRGPFGBKTNSDSK-AABGKKOBSA-N 1 3 344.547 2.471 10 0 EEAEHO Cc1cccc(N2CCN(CCCN[C@H]3CC[NH2+]C34CCC4)CC2)c1 ZINC000925528174 1206123592 /nfs/dbraw/zinc/12/35/92/1206123592.db2.gz YVOGPFNTORTGAP-FQEVSTJZSA-N 1 3 342.531 2.381 10 0 EEAEHO C(Cc1nnc2n1CCCCC2)N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925534260 1206124561 /nfs/dbraw/zinc/12/45/61/1206124561.db2.gz UFSYCSWCIXHICJ-SJORKVTESA-N 1 3 331.508 2.305 10 0 EEAEHO CC(=O)N1CC[C@H]([NH2+]C[C@H]2CNCCC2(F)F)c2ccccc2C1 ZINC000925783875 1206153507 /nfs/dbraw/zinc/15/35/07/1206153507.db2.gz PAJIBGJOUQBSCI-WBVHZDCISA-N 1 3 337.414 2.314 10 0 EEAEHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@](O)(CC)C(F)(F)F)C1 ZINC000929771145 1206500338 /nfs/dbraw/zinc/50/03/38/1206500338.db2.gz KLMKNFATAAWXRG-ZIAGYGMSSA-N 1 3 326.403 2.123 10 0 EEAEHO C[N@@H+]1C[C@@H]2CN(CCC(=O)N[C@H]3CCCc4ccccc43)C[C@]2(C)C1 ZINC000933742256 1207831548 /nfs/dbraw/zinc/83/15/48/1207831548.db2.gz GCWYRKWQAUUONC-LMNJBCLMSA-N 1 3 341.499 2.454 10 0 EEAEHO C[N@H+]1C[C@@H]2CN(CCC(=O)N[C@H]3CCCc4ccccc43)C[C@]2(C)C1 ZINC000933742256 1207831553 /nfs/dbraw/zinc/83/15/53/1207831553.db2.gz GCWYRKWQAUUONC-LMNJBCLMSA-N 1 3 341.499 2.454 10 0 EEAEHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C[C@H](C)O1 ZINC000900980334 1235074430 /nfs/dbraw/zinc/07/44/30/1235074430.db2.gz JXNOAHIJGJDSLL-MHORFTMASA-N 1 3 337.508 2.009 10 0 EEAEHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C[C@H](C)O1 ZINC000900980334 1235074433 /nfs/dbraw/zinc/07/44/33/1235074433.db2.gz JXNOAHIJGJDSLL-MHORFTMASA-N 1 3 337.508 2.009 10 0 EEAEHO c1ccc2c(c1)COC21CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903731526 1241756539 /nfs/dbraw/zinc/75/65/39/1241756539.db2.gz ABLOTQMAJHDWTN-HKUYNNGSSA-N 1 3 328.456 2.277 10 0 EEAEHO C([C@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCC(c2nc(C3CCC3)no2)CC1 ZINC000903779218 1241922317 /nfs/dbraw/zinc/92/23/17/1241922317.db2.gz WOFOCOHZDMNXIY-APWZRJJASA-N 1 3 346.475 2.285 10 0 EEAEHO CN(c1ccccc1CNCc1cc(N)ccn1)C1CC[NH+](C)CC1 ZINC000903951480 1242675742 /nfs/dbraw/zinc/67/57/42/1242675742.db2.gz YUIACWZYGQRHJY-UHFFFAOYSA-N 1 3 339.487 2.484 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@@H]1CCCN(Cc2ccccn2)CC1 ZINC001273468136 1278559226 /nfs/dbraw/zinc/55/92/26/1278559226.db2.gz XCTSYFBBCWBATE-QGZVFWFLSA-N 1 3 332.492 2.284 10 0 EEAEHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@H]1CCOC1)N(C)C ZINC001489322665 1290508872 /nfs/dbraw/zinc/50/88/72/1290508872.db2.gz LJHBZJRVZIMWHB-OKZBNKHCSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC[C@H]1CCOC1)N(C)C ZINC001489322665 1290508878 /nfs/dbraw/zinc/50/88/78/1290508878.db2.gz LJHBZJRVZIMWHB-OKZBNKHCSA-N 1 3 339.524 2.066 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@@H]1CCCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001490455080 1291391459 /nfs/dbraw/zinc/39/14/59/1291391459.db2.gz PVJSMRZLIPOTHT-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H](O)C3CC3)C2)ccn1 ZINC000856606070 1293578858 /nfs/dbraw/zinc/57/88/58/1293578858.db2.gz GXIPLAGOMGXNDR-RBUKOAKNSA-N 1 3 333.476 2.146 10 0 EEAEHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H](O)C3CC3)C2)ccn1 ZINC000856606070 1293578863 /nfs/dbraw/zinc/57/88/63/1293578863.db2.gz GXIPLAGOMGXNDR-RBUKOAKNSA-N 1 3 333.476 2.146 10 0 EEAEHO CCOC(=O)C1=CC[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000863544532 1296328217 /nfs/dbraw/zinc/32/82/17/1296328217.db2.gz WWFZKZRLHMBQKM-KNBMTAEXSA-N 1 3 342.439 2.484 10 0 EEAEHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCc3nnn(C)c3C2)CC1 ZINC000927150810 1297038218 /nfs/dbraw/zinc/03/82/18/1297038218.db2.gz OIBQKJUEUGTIJU-KYJSFNMBSA-N 1 3 331.508 2.305 10 0 EEAEHO CC(C)OCCC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001278302523 1309182601 /nfs/dbraw/zinc/18/26/01/1309182601.db2.gz ZGMJIHINTYHVQH-DLBZAZTESA-N 1 3 341.540 2.358 10 0 EEAEHO C[C@H]1C[C@@H](NCc2cncc(F)c2)CN1C(=O)CCCC[NH+](C)C ZINC001278416464 1310167217 /nfs/dbraw/zinc/16/72/17/1310167217.db2.gz NFXGXTXSDFNBGB-WMLDXEAASA-N 1 3 336.455 2.032 10 0 EEAEHO CCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C(F)(F)F ZINC001278705635 1317803947 /nfs/dbraw/zinc/80/39/47/1317803947.db2.gz XSIWWVHXZFIJPL-CABCVRRESA-N 1 3 349.441 2.355 10 0 EEAEHO Cc1cncc(CN2CCC[C@H](CNC(=O)CCCC[NH+](C)C)C2)c1 ZINC001265594882 1323251401 /nfs/dbraw/zinc/25/14/01/1323251401.db2.gz MZDWVOGCXMQSQY-GOSISDBHSA-N 1 3 346.519 2.450 10 0 EEAEHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)C[C@@H]1CC(C)(C)CO1 ZINC001266048975 1323598410 /nfs/dbraw/zinc/59/84/10/1323598410.db2.gz CILPXCJURNWSDS-INIZCTEOSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)C[C@@H]1CC(C)(C)CO1 ZINC001266048975 1323598412 /nfs/dbraw/zinc/59/84/12/1323598412.db2.gz CILPXCJURNWSDS-INIZCTEOSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCc1ccccc1F ZINC001279163376 1323843038 /nfs/dbraw/zinc/84/30/38/1323843038.db2.gz ZIQNAJWCJXUXBT-HOCLYGCPSA-N 1 3 344.434 2.018 10 0 EEAEHO Cc1cc(F)ccc1C[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001280208006 1324115345 /nfs/dbraw/zinc/11/53/45/1324115345.db2.gz QSXHPBDFGQICDI-HNNXBMFYSA-N 1 3 344.434 2.428 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001281476074 1325146488 /nfs/dbraw/zinc/14/64/88/1325146488.db2.gz PAHSZRZMWJXCNS-MJGOQNOKSA-N 1 3 331.504 2.396 10 0 EEAEHO CCc1nc(C)c(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCCN2C)o1 ZINC001283147761 1325934976 /nfs/dbraw/zinc/93/49/76/1325934976.db2.gz XLRKDLQFBGUYMS-ZFWWWQNUSA-N 1 3 336.480 2.014 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001316626539 1326051945 /nfs/dbraw/zinc/05/19/45/1326051945.db2.gz VIEOPYGJIADJOL-BETUJISGSA-N 1 3 346.397 2.478 10 0 EEAEHO Cc1ccccc1OCC[NH2+][C@H](C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001283677692 1326197686 /nfs/dbraw/zinc/19/76/86/1326197686.db2.gz KLURJLFRSHMTCD-FUHWJXTLSA-N 1 3 347.503 2.152 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCOCC2CCC2)C1)N(C)C ZINC001491951831 1330343964 /nfs/dbraw/zinc/34/39/64/1330343964.db2.gz MTJUYEOULVAAIC-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCOCC2CCC2)C1)N(C)C ZINC001491951831 1330343969 /nfs/dbraw/zinc/34/39/69/1330343969.db2.gz MTJUYEOULVAAIC-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCCC[N@H+](C)CCc2ccccc2F)C1 ZINC001316850253 1331444337 /nfs/dbraw/zinc/44/43/37/1331444337.db2.gz CJXHUZLVHKBTKZ-INIZCTEOSA-N 1 3 335.467 2.148 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCCC[N@@H+](C)CCc2ccccc2F)C1 ZINC001316850253 1331444340 /nfs/dbraw/zinc/44/43/40/1331444340.db2.gz CJXHUZLVHKBTKZ-INIZCTEOSA-N 1 3 335.467 2.148 10 0 EEAEHO CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1OCC ZINC001316695716 1331649708 /nfs/dbraw/zinc/64/97/08/1331649708.db2.gz PVSRSUQNSFDJSJ-RTBURBONSA-N 1 3 347.503 2.225 10 0 EEAEHO Cc1ncccc1CN(C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001316836240 1331923715 /nfs/dbraw/zinc/92/37/15/1331923715.db2.gz VDENYBAUUZGZPY-RBUKOAKNSA-N 1 3 344.503 2.345 10 0 EEAEHO Cc1ncccc1CN(C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001316836240 1331923718 /nfs/dbraw/zinc/92/37/18/1331923718.db2.gz VDENYBAUUZGZPY-RBUKOAKNSA-N 1 3 344.503 2.345 10 0 EEAEHO CN(CCNCc1cc2ccccc2o1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317656196 1332352697 /nfs/dbraw/zinc/35/26/97/1332352697.db2.gz WIIKVIAASNRTDE-HNNXBMFYSA-N 1 3 329.444 2.323 10 0 EEAEHO CN(CCNCc1cc2ccccc2o1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317656196 1332352699 /nfs/dbraw/zinc/35/26/99/1332352699.db2.gz WIIKVIAASNRTDE-HNNXBMFYSA-N 1 3 329.444 2.323 10 0 EEAEHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCc1cccc(Cl)n1 ZINC001318567887 1332561622 /nfs/dbraw/zinc/56/16/22/1332561622.db2.gz JBZKDTUDQZDNSG-AWEZNQCLSA-N 1 3 338.883 2.061 10 0 EEAEHO COCCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001319875442 1332790061 /nfs/dbraw/zinc/79/00/61/1332790061.db2.gz UIIPEUDUDAPLMJ-SFHVURJKSA-N 1 3 339.524 2.068 10 0 EEAEHO COCCCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001319875442 1332790064 /nfs/dbraw/zinc/79/00/64/1332790064.db2.gz UIIPEUDUDAPLMJ-SFHVURJKSA-N 1 3 339.524 2.068 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]Cc1cnc(Cl)s1 ZINC001320644017 1332927910 /nfs/dbraw/zinc/92/79/10/1332927910.db2.gz JANDYIISYUGHKL-LLVKDONJSA-N 1 3 332.901 2.121 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1cnccc1C ZINC001321083475 1333014618 /nfs/dbraw/zinc/01/46/18/1333014618.db2.gz KCOPBYONPMSTLU-XDXAGZTOSA-N 1 3 330.476 2.026 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1cnccc1C ZINC001321083475 1333014621 /nfs/dbraw/zinc/01/46/21/1333014621.db2.gz KCOPBYONPMSTLU-XDXAGZTOSA-N 1 3 330.476 2.026 10 0 EEAEHO C[C@@H](NC/C=C/CNC(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001321230453 1333050411 /nfs/dbraw/zinc/05/04/11/1333050411.db2.gz CMBZQNGKOSVHDP-NHZBNJEXSA-N 1 3 333.451 2.491 10 0 EEAEHO C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1cccnc1 ZINC001324544559 1333705496 /nfs/dbraw/zinc/70/54/96/1333705496.db2.gz GPTGXXKUYITEBW-MOPGFXCFSA-N 1 3 344.503 2.379 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCF)C1 ZINC001324796905 1333761606 /nfs/dbraw/zinc/76/16/06/1333761606.db2.gz DQTIXZCQWYZKTD-AEFFLSMTSA-N 1 3 327.488 2.437 10 0 EEAEHO CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCCC2CCCC2)C1)N(C)C ZINC001326988884 1334197605 /nfs/dbraw/zinc/19/76/05/1334197605.db2.gz FAWQOTRBWNYXNF-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO CCC1(NCc2nc(C)oc2C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001502515593 1342201555 /nfs/dbraw/zinc/20/15/55/1342201555.db2.gz FAOZNTLCVZNEOM-MRXNPFEDSA-N 1 3 348.491 2.104 10 0 EEAEHO CCC1(NCc2nc(C)oc2C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001502515593 1342201562 /nfs/dbraw/zinc/20/15/62/1342201562.db2.gz FAOZNTLCVZNEOM-MRXNPFEDSA-N 1 3 348.491 2.104 10 0 EEAEHO CC(C)=CC[NH2+]CC1(NC(=O)CN(C)CC(C)(C)C)CCOCC1 ZINC001502635665 1342218939 /nfs/dbraw/zinc/21/89/39/1342218939.db2.gz UBURPBCTPHYGDD-UHFFFAOYSA-N 1 3 339.524 2.186 10 0 EEAEHO CN(Cc1ccccn1)C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001567742714 1342830645 /nfs/dbraw/zinc/83/06/45/1342830645.db2.gz QGLHEVUKUNWTEX-QGZVFWFLSA-N 1 3 332.492 2.094 10 0 EEAEHO CN(Cc1ccnc(Cl)c1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001676063900 1357100213 /nfs/dbraw/zinc/10/02/13/1357100213.db2.gz ORPKTCLVRMKXDG-UHFFFAOYSA-N 1 3 338.883 2.110 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H](C)F)C1 ZINC001571168972 1343165472 /nfs/dbraw/zinc/16/54/72/1343165472.db2.gz WQESPQCDRMUKGC-LUKYLMHMSA-N 1 3 327.488 2.482 10 0 EEAEHO C[C@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)CN1C(=O)CN1CCCC1 ZINC001676781736 1357198725 /nfs/dbraw/zinc/19/87/25/1357198725.db2.gz CVPYSRUEOHUMBZ-QFBILLFUSA-N 1 3 347.478 2.433 10 0 EEAEHO CN(CC(=O)N1C[C@@H]([NH2+]CCCCCF)C(C)(C)C1)C1CCC1 ZINC001677003369 1357260036 /nfs/dbraw/zinc/26/00/36/1357260036.db2.gz FPZKLRBQQMPQDE-MRXNPFEDSA-N 1 3 327.488 2.437 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCOCC)C(C)(C)C1 ZINC001677004574 1357260477 /nfs/dbraw/zinc/26/04/77/1357260477.db2.gz WKDLEALUKXFTKU-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ccc(CN2CCCN(C(=O)N[C@H]3CC[N@H+](C)[C@H]3C)CC2)cc1 ZINC001650042700 1353697656 /nfs/dbraw/zinc/69/76/56/1353697656.db2.gz VTHZROATSSTIFS-HKUYNNGSSA-N 1 3 344.503 2.305 10 0 EEAEHO Cc1ccc(CN2CCCN(C(=O)N[C@H]3CC[N@@H+](C)[C@H]3C)CC2)cc1 ZINC001650042700 1353697658 /nfs/dbraw/zinc/69/76/58/1353697658.db2.gz VTHZROATSSTIFS-HKUYNNGSSA-N 1 3 344.503 2.305 10 0 EEAEHO CC(C)[C@H](C(=O)NCCCN(C)Cc1ccnc(Cl)c1)[NH+](C)C ZINC001660295619 1354433269 /nfs/dbraw/zinc/43/32/69/1354433269.db2.gz YFZZMDLDJPGFOZ-MRXNPFEDSA-N 1 3 340.899 2.259 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](CC)C[C@H]1CCCCO1 ZINC001660632672 1354505766 /nfs/dbraw/zinc/50/57/66/1354505766.db2.gz UODUPJHURONMNO-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](CC)C[C@H]1CCCCO1 ZINC001660632672 1354505769 /nfs/dbraw/zinc/50/57/69/1354505769.db2.gz UODUPJHURONMNO-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO CCOCCCN1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001660845441 1354549763 /nfs/dbraw/zinc/54/97/63/1354549763.db2.gz XTGQFGJSKPUYMG-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO CCOCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001660845441 1354549765 /nfs/dbraw/zinc/54/97/65/1354549765.db2.gz XTGQFGJSKPUYMG-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO CCOCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001660845441 1354549766 /nfs/dbraw/zinc/54/97/66/1354549766.db2.gz XTGQFGJSKPUYMG-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+]CCCCCF)C2)CCC1 ZINC001661787645 1354696807 /nfs/dbraw/zinc/69/68/07/1354696807.db2.gz CXRSNMNMNSTNFH-MRXNPFEDSA-N 1 3 327.488 2.439 10 0 EEAEHO CCOCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCCN1CC ZINC001661972045 1354730518 /nfs/dbraw/zinc/73/05/18/1354730518.db2.gz MPPXXQKVTMQWAA-ZWKOTPCHSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001662238649 1354766890 /nfs/dbraw/zinc/76/68/90/1354766890.db2.gz BIZLMBCAMUITKZ-NEPJUHHUSA-N 1 3 336.307 2.149 10 0 EEAEHO CC(C)[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCF ZINC001667494172 1355750482 /nfs/dbraw/zinc/75/04/82/1355750482.db2.gz SSMMILWQWOZUHL-WMLDXEAASA-N 1 3 333.467 2.289 10 0 EEAEHO CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001670144784 1356284859 /nfs/dbraw/zinc/28/48/59/1356284859.db2.gz SIACHESJUDVMEW-LJQANCHMSA-N 1 3 331.504 2.454 10 0 EEAEHO Cc1cc(CNCCCN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)on1 ZINC001670358049 1356326636 /nfs/dbraw/zinc/32/66/36/1356326636.db2.gz ZXMRPOLKTCXKIJ-QGZVFWFLSA-N 1 3 336.480 2.042 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001673650501 1356726765 /nfs/dbraw/zinc/72/67/65/1356726765.db2.gz JVXRLXVMQSNUEA-IBGZPJMESA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001673650501 1356726769 /nfs/dbraw/zinc/72/67/69/1356726769.db2.gz JVXRLXVMQSNUEA-IBGZPJMESA-N 1 3 339.524 2.068 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCOC1CCCCCC1 ZINC001690620954 1404930632 /nfs/dbraw/zinc/93/06/32/1404930632.db2.gz KMGVZNINEJONML-DLBZAZTESA-N 1 3 339.524 2.162 10 0 EEAEHO Cc1nocc1CNCC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001698916718 1405158992 /nfs/dbraw/zinc/15/89/92/1405158992.db2.gz LZGQGZZRDIWWQS-KRWDZBQOSA-N 1 3 336.480 2.186 10 0 EEAEHO Cc1ncc(CNCC[C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)o1 ZINC001698917022 1405160405 /nfs/dbraw/zinc/16/04/05/1405160405.db2.gz HCFBZGNTPYDDCH-KRWDZBQOSA-N 1 3 348.491 2.186 10 0 EEAEHO C[C@H](CC[NH2+]Cc1cnc(Cl)s1)NC(=O)C1(N(C)C)CCC1 ZINC001699106547 1405261184 /nfs/dbraw/zinc/26/11/84/1405261184.db2.gz NBXWPRKJHHBHRV-LLVKDONJSA-N 1 3 344.912 2.265 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@](C)(C[NH2+]CCCF)C2)C1 ZINC001699843703 1405522898 /nfs/dbraw/zinc/52/28/98/1405522898.db2.gz COTFDGGQIMGSCH-QZTJIDSGSA-N 1 3 345.478 2.387 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc(Cl)n1 ZINC000846694585 790417809 /nfs/dbraw/zinc/41/78/09/790417809.db2.gz QUIWZCUHKUKJHF-KCPJHIHWSA-N 1 3 338.883 2.409 10 0 EEAEHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2nccc3c2CCCC3)CC1 ZINC000921684442 794598632 /nfs/dbraw/zinc/59/86/32/794598632.db2.gz AKLDEUGBBGTUSQ-KRWDZBQOSA-N 1 3 330.520 2.324 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@@H]3CC[C@@H]4C[C@@H]43)CC2)CC1 ZINC000915493701 796282402 /nfs/dbraw/zinc/28/24/02/796282402.db2.gz ZXMUEIWIINPWCW-FRQCXROJSA-N 1 3 348.535 2.280 10 0 EEAEHO CCCCCCN(C)CC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000794342882 810781670 /nfs/dbraw/zinc/78/16/70/810781670.db2.gz IBOMQUNFQSHHDS-UHFFFAOYSA-N 1 3 348.491 2.251 10 0 EEAEHO COCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001566075594 1125548400 /nfs/dbraw/zinc/54/84/00/1125548400.db2.gz TXHDPALRZLCHLN-ROUUACIJSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1ccc(C[NH2+][C@H](CNC(=O)CN(C)C2CCC2)C2CC2)c(C)n1 ZINC001436794848 1088360860 /nfs/dbraw/zinc/36/08/60/1088360860.db2.gz XSCYPZYDSKLLRH-LJQANCHMSA-N 1 3 344.503 2.167 10 0 EEAEHO C[NH+](C)CCC(=O)NC[C@H](NCc1cc2ccccc2o1)C1CC1 ZINC001436818931 1088413970 /nfs/dbraw/zinc/41/39/70/1088413970.db2.gz KOYVSVMJCCICQY-KRWDZBQOSA-N 1 3 329.444 2.369 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001437156562 1089158587 /nfs/dbraw/zinc/15/85/87/1089158587.db2.gz OCQZTYZMDVWTNL-DYVFJYSZSA-N 1 3 339.430 2.434 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1ccc(F)c(F)c1 ZINC001437156562 1089158593 /nfs/dbraw/zinc/15/85/93/1089158593.db2.gz OCQZTYZMDVWTNL-DYVFJYSZSA-N 1 3 339.430 2.434 10 0 EEAEHO CN(CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cncs2)C1)C1CCC1 ZINC001437330607 1089507660 /nfs/dbraw/zinc/50/76/60/1089507660.db2.gz LZULJMWNFZPLOB-KBPBESRZSA-N 1 3 336.505 2.144 10 0 EEAEHO CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2cnccc2C)C1)N(C)C ZINC001437951453 1090548866 /nfs/dbraw/zinc/54/88/66/1090548866.db2.gz XCBWWRVYCDHVLB-SJLPKXTDSA-N 1 3 332.492 2.058 10 0 EEAEHO CC[C@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2cnccc2C)C1)N(C)C ZINC001437951453 1090548867 /nfs/dbraw/zinc/54/88/67/1090548867.db2.gz XCBWWRVYCDHVLB-SJLPKXTDSA-N 1 3 332.492 2.058 10 0 EEAEHO CC(C)[C@@H](C(=O)N1CC[C@H](CN(C)CCF)C1)[NH+]1CCCCC1 ZINC001437994343 1090593806 /nfs/dbraw/zinc/59/38/06/1090593806.db2.gz WHDYCOWZEICZGK-SJORKVTESA-N 1 3 327.488 2.247 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NCC2CN(CC/C=C\c3ccccc3)C2)C1 ZINC001438164526 1090676600 /nfs/dbraw/zinc/67/66/00/1090676600.db2.gz XVQHGIILKMDKOS-STISFXCESA-N 1 3 341.499 2.480 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NCC2CN(CC/C=C\c3ccccc3)C2)C1 ZINC001438164526 1090676601 /nfs/dbraw/zinc/67/66/01/1090676601.db2.gz XVQHGIILKMDKOS-STISFXCESA-N 1 3 341.499 2.480 10 0 EEAEHO CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCc1cnc(C)s1 ZINC001438320923 1090795499 /nfs/dbraw/zinc/79/54/99/1090795499.db2.gz GEORJEVCHAEQQC-CQSZACIVSA-N 1 3 338.521 2.310 10 0 EEAEHO Cc1ncc(C[NH2+]C[C@@H](C)CNC(=O)c2cccc(CN(C)C)c2)o1 ZINC001438545323 1091037140 /nfs/dbraw/zinc/03/71/40/1091037140.db2.gz BHRHNAPCEUOZTC-CQSZACIVSA-N 1 3 344.459 2.200 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCc2cnccc2C)CC[N@@H+]1C ZINC001438653739 1091140623 /nfs/dbraw/zinc/14/06/23/1091140623.db2.gz OGMZIZNMCINCKQ-RYQLBKOJSA-N 1 3 332.492 2.057 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCc2cnccc2C)CC[N@H+]1C ZINC001438653739 1091140625 /nfs/dbraw/zinc/14/06/25/1091140625.db2.gz OGMZIZNMCINCKQ-RYQLBKOJSA-N 1 3 332.492 2.057 10 0 EEAEHO COc1cc(CN(C)C[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)ccc1C ZINC001445848875 1091758476 /nfs/dbraw/zinc/75/84/76/1091758476.db2.gz FWRHMGNUOFRACY-WMZOPIPTSA-N 1 3 347.503 2.282 10 0 EEAEHO COc1cc(CN(C)C[C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)ccc1C ZINC001445848875 1091758481 /nfs/dbraw/zinc/75/84/81/1091758481.db2.gz FWRHMGNUOFRACY-WMZOPIPTSA-N 1 3 347.503 2.282 10 0 EEAEHO CC(C)n1ccc(CNC[C@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)n1 ZINC001445899127 1091826077 /nfs/dbraw/zinc/82/60/77/1091826077.db2.gz NVDYWDYMEGDLCE-SJLPKXTDSA-N 1 3 349.523 2.180 10 0 EEAEHO Cc1ncc(CNC[C@@H]2CCCC[C@@H]2NC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001439415998 1092184881 /nfs/dbraw/zinc/18/48/81/1092184881.db2.gz FYVSPKDUCOXHSG-RDJZCZTQSA-N 1 3 348.491 2.089 10 0 EEAEHO Cc1ccc(CNC2(CNC(=O)CC[NH+]3CCCCC3)CC2)c(C)n1 ZINC001446292674 1092453573 /nfs/dbraw/zinc/45/35/73/1092453573.db2.gz DAXMTKQILLAKLJ-UHFFFAOYSA-N 1 3 344.503 2.313 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001448471024 1093484592 /nfs/dbraw/zinc/48/45/92/1093484592.db2.gz NIHPPPOXRGYULQ-FGTMMUONSA-N 1 3 344.503 2.140 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001448471024 1093484595 /nfs/dbraw/zinc/48/45/95/1093484595.db2.gz NIHPPPOXRGYULQ-FGTMMUONSA-N 1 3 344.503 2.140 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H](NCc3coc(C)n3)[C@H]2C1 ZINC001449045342 1094060602 /nfs/dbraw/zinc/06/06/02/1094060602.db2.gz OZNVIHLRFSTSDG-SZMVWBNQSA-N 1 3 348.491 2.042 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H](NCc3coc(C)n3)[C@H]2C1 ZINC001449045342 1094060607 /nfs/dbraw/zinc/06/06/07/1094060607.db2.gz OZNVIHLRFSTSDG-SZMVWBNQSA-N 1 3 348.491 2.042 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H](NCc3coc(C)n3)[C@@H]2C1 ZINC001449045322 1094060744 /nfs/dbraw/zinc/06/07/44/1094060744.db2.gz OZNVIHLRFSTSDG-JQHSSLGASA-N 1 3 348.491 2.042 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H](NCc3coc(C)n3)[C@@H]2C1 ZINC001449045322 1094060748 /nfs/dbraw/zinc/06/07/48/1094060748.db2.gz OZNVIHLRFSTSDG-JQHSSLGASA-N 1 3 348.491 2.042 10 0 EEAEHO CC(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C(F)(F)F ZINC001449077111 1094090518 /nfs/dbraw/zinc/09/05/18/1094090518.db2.gz JFMSBLLNTDGCAF-DZGCQCFKSA-N 1 3 349.441 2.353 10 0 EEAEHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)Cc1ccc(F)cc1 ZINC001440921443 1094175669 /nfs/dbraw/zinc/17/56/69/1094175669.db2.gz DMNSDPOJKGWNSC-KSSFIOAISA-N 1 3 333.451 2.104 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cccnc1 ZINC001440981813 1094244776 /nfs/dbraw/zinc/24/47/76/1094244776.db2.gz DDYZQGMIJJXNTP-AEFFLSMTSA-N 1 3 332.492 2.281 10 0 EEAEHO C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CN(CCc2cccs2)C1 ZINC001441213284 1094577766 /nfs/dbraw/zinc/57/77/66/1094577766.db2.gz STDMDVCLKGHJCO-HUUCEWRRSA-N 1 3 335.517 2.069 10 0 EEAEHO C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(CCc2cccs2)C1 ZINC001441213284 1094577772 /nfs/dbraw/zinc/57/77/72/1094577772.db2.gz STDMDVCLKGHJCO-HUUCEWRRSA-N 1 3 335.517 2.069 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCc2cc(C)ns2)[C@H]1C ZINC001441824895 1095870090 /nfs/dbraw/zinc/87/00/90/1095870090.db2.gz NEBAWUMCHCAOLE-ZBFHGGJFSA-N 1 3 338.521 2.262 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2cc(C)ns2)[C@H]1C ZINC001441824895 1095870103 /nfs/dbraw/zinc/87/01/03/1095870103.db2.gz NEBAWUMCHCAOLE-ZBFHGGJFSA-N 1 3 338.521 2.262 10 0 EEAEHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001441848109 1095931161 /nfs/dbraw/zinc/93/11/61/1095931161.db2.gz WYFHSAOXTHYSQC-SJORKVTESA-N 1 3 343.515 2.370 10 0 EEAEHO CN1CCCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1nccs1)C(C)(C)C ZINC001442175867 1096443007 /nfs/dbraw/zinc/44/30/07/1096443007.db2.gz VBAVESGTHQCQBM-UONOGXRCSA-N 1 3 338.521 2.248 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H](NCc2c(F)cccc2F)C1 ZINC001442196186 1096473923 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CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCCNCc1cc(C2CC2)no1 ZINC001569201750 1125161115 /nfs/dbraw/zinc/16/11/15/1125161115.db2.gz JITFJQOXIYFCEU-SFHVURJKSA-N 1 3 348.491 2.363 10 0 EEAEHO Cc1cc(CNCCCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)on1 ZINC001569202607 1125161485 /nfs/dbraw/zinc/16/14/85/1125161485.db2.gz DPTGENTZQKJSBE-UHFFFAOYSA-N 1 3 336.480 2.186 10 0 EEAEHO Cc1nc(CNCCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(C)s1 ZINC001569258711 1125200206 /nfs/dbraw/zinc/20/02/06/1125200206.db2.gz GAYNVHUWTSQEDZ-MRXNPFEDSA-N 1 3 340.537 2.284 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2CCC[C@@H]([NH+](C)C)C2)[C@@H]1c1ccccc1 ZINC000248132043 282184280 /nfs/dbraw/zinc/18/42/80/282184280.db2.gz WQKMFPKSWAKMAJ-KURKYZTESA-N 1 3 330.476 2.167 10 0 EEAEHO COC[C@@H](CCC[NH3+])N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000422791511 240229495 /nfs/dbraw/zinc/22/94/95/240229495.db2.gz YPVFKTYFLWFJPK-HIFRSBDPSA-N 1 3 339.867 2.179 10 0 EEAEHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cnccc1N ZINC000423035925 240337556 /nfs/dbraw/zinc/33/75/56/240337556.db2.gz SKGNGRBMJLCLSY-MAUKXSAKSA-N 1 3 340.471 2.302 10 0 EEAEHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cnccc1N ZINC000423035925 240337563 /nfs/dbraw/zinc/33/75/63/240337563.db2.gz SKGNGRBMJLCLSY-MAUKXSAKSA-N 1 3 340.471 2.302 10 0 EEAEHO C[C@@H]1[C@H](NC2CC[NH+](C3CC3)CC2)CC(=O)N1Cc1ccccc1 ZINC000459522134 245153850 /nfs/dbraw/zinc/15/38/50/245153850.db2.gz GBCVTKWLOCCLSO-DNVCBOLYSA-N 1 3 327.472 2.392 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCC(O)CC1 ZINC000268804211 252257490 /nfs/dbraw/zinc/25/74/90/252257490.db2.gz BXSKGPNWEWULMD-GHTZIAJQSA-N 1 3 345.531 2.333 10 0 EEAEHO CC[N@H+](Cc1ccc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc1)C(C)C ZINC000116789113 285097879 /nfs/dbraw/zinc/09/78/79/285097879.db2.gz GFOIDOJTBRCQKQ-IBGZPJMESA-N 1 3 347.503 2.320 10 0 EEAEHO CC[N@@H+](Cc1ccc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc1)C(C)C ZINC000116789113 285097881 /nfs/dbraw/zinc/09/78/81/285097881.db2.gz GFOIDOJTBRCQKQ-IBGZPJMESA-N 1 3 347.503 2.320 10 0 EEAEHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000097395092 219022050 /nfs/dbraw/zinc/02/20/50/219022050.db2.gz MSOYZYIBIJFUNJ-OALUTQOASA-N 1 3 348.535 2.435 10 0 EEAEHO c1ccc(C[N@H+]2CC[C@H](N3CCN(CC4CCOCC4)CC3)C2)cc1 ZINC000271256302 256225524 /nfs/dbraw/zinc/22/55/24/256225524.db2.gz GYUTTXKVOUOMKX-NRFANRHFSA-N 1 3 343.515 2.305 10 0 EEAEHO c1ccc(C[N@@H+]2CC[C@H](N3CCN(CC4CCOCC4)CC3)C2)cc1 ZINC000271256302 256225526 /nfs/dbraw/zinc/22/55/26/256225526.db2.gz GYUTTXKVOUOMKX-NRFANRHFSA-N 1 3 343.515 2.305 10 0 EEAEHO C[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)C1=CCN(C)CC1 ZINC000272904196 256248219 /nfs/dbraw/zinc/24/82/19/256248219.db2.gz IZYIPSROYQVXHG-OAHLLOKOSA-N 1 3 331.460 2.007 10 0 EEAEHO CC[NH+]1CCC(CCNC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000074713457 292176854 /nfs/dbraw/zinc/17/68/54/292176854.db2.gz HFXRTKWCESQOIA-UHFFFAOYSA-N 1 3 336.524 2.378 10 0 EEAEHO CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CCN(C4CCN(C)CC4)CC3)C[C@H]2C1 ZINC000424266676 286114456 /nfs/dbraw/zinc/11/44/56/286114456.db2.gz JIKCACMNWTUEGX-SGWQFOAVSA-N 1 3 335.536 2.338 10 0 EEAEHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252441825 160392813 /nfs/dbraw/zinc/39/28/13/160392813.db2.gz AWAACQPUAQMKBU-RBUKOAKNSA-N 1 3 342.487 2.313 10 0 EEAEHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000252441825 160392815 /nfs/dbraw/zinc/39/28/15/160392815.db2.gz AWAACQPUAQMKBU-RBUKOAKNSA-N 1 3 342.487 2.313 10 0 EEAEHO C[C@H]1CCCN(CCNC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000098093531 159250016 /nfs/dbraw/zinc/25/00/16/159250016.db2.gz GPOBMBHTZDLQBG-INIZCTEOSA-N 1 3 333.476 2.089 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccnc1 ZINC000345196986 161280805 /nfs/dbraw/zinc/28/08/05/161280805.db2.gz AZISDTDHFLVYPO-WMZOPIPTSA-N 1 3 332.492 2.060 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccnc1 ZINC000345196986 161280806 /nfs/dbraw/zinc/28/08/06/161280806.db2.gz AZISDTDHFLVYPO-WMZOPIPTSA-N 1 3 332.492 2.060 10 0 EEAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000246117732 274095880 /nfs/dbraw/zinc/09/58/80/274095880.db2.gz IERACQKRLQIRRA-GUDVDZBRSA-N 1 3 348.535 2.400 10 0 EEAEHO c1c2c(nn1-c1ccccc1)CCC[C@@H]2NCCCN1CC[NH2+]CC1 ZINC000423179672 275063177 /nfs/dbraw/zinc/06/31/77/275063177.db2.gz HZAFDCAPUFZDSE-IBGZPJMESA-N 1 3 339.487 2.135 10 0 EEAEHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000289474277 275119144 /nfs/dbraw/zinc/11/91/44/275119144.db2.gz XJPHTSZPVGRVBO-RTWAWAEBSA-N 1 3 344.547 2.438 10 0 EEAEHO C[C@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000291682978 275329624 /nfs/dbraw/zinc/32/96/24/275329624.db2.gz CPEZDYCACCPSHH-LPHOPBHVSA-N 1 3 329.488 2.498 10 0 EEAEHO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@H](N)CC(C)C)C1 ZINC000414733633 313071960 /nfs/dbraw/zinc/07/19/60/313071960.db2.gz CTTAXTCZCKPSAE-ZIAGYGMSSA-N 1 3 337.430 2.483 10 0 EEAEHO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](C[C@H](N)CC(C)C)C1 ZINC000414733633 313071962 /nfs/dbraw/zinc/07/19/62/313071962.db2.gz CTTAXTCZCKPSAE-ZIAGYGMSSA-N 1 3 337.430 2.483 10 0 EEAEHO C[NH+](C)Cc1ccc(CNC(=O)NC[C@H](N)c2ccccc2)cc1 ZINC000416897450 313353429 /nfs/dbraw/zinc/35/34/29/313353429.db2.gz XUCVJUCQYSERDS-SFHVURJKSA-N 1 3 326.444 2.247 10 0 EEAEHO CC[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)N1CCc2ccccc2C1 ZINC000417014826 313395402 /nfs/dbraw/zinc/39/54/02/313395402.db2.gz LMIVITIZJLGISM-IPELMVKDSA-N 1 3 344.503 2.121 10 0 EEAEHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000418607036 313858767 /nfs/dbraw/zinc/85/87/67/313858767.db2.gz ZYAFDSWMKSVCCL-LPHOPBHVSA-N 1 3 344.503 2.290 10 0 EEAEHO CC[NH+](CC)CC1CCN(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000441304881 315180292 /nfs/dbraw/zinc/18/02/92/315180292.db2.gz SPKZKPIKNIUXMS-WBVHZDCISA-N 1 3 336.524 2.375 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000527728688 317253527 /nfs/dbraw/zinc/25/35/27/317253527.db2.gz UULGWXBTETXNSL-IXDOHACOSA-N 1 3 348.535 2.280 10 0 EEAEHO CN(CCC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccncc1 ZINC000542784225 318139769 /nfs/dbraw/zinc/13/97/69/318139769.db2.gz WHERJXAJJMSJRW-UHFFFAOYSA-N 1 3 330.476 2.431 10 0 EEAEHO O=C(Nc1ccc2c(c1)CNCCO2)NC1CC([NH+]2CCCCC2)C1 ZINC000576845512 320209930 /nfs/dbraw/zinc/20/99/30/320209930.db2.gz VRBVPKODKQBJET-UHFFFAOYSA-N 1 3 344.459 2.307 10 0 EEAEHO CN1CCC(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)(N2CCCCC2)CC1 ZINC000121994170 463228331 /nfs/dbraw/zinc/22/83/31/463228331.db2.gz ZZEMIHULXYCNJP-FHWLQOOXSA-N 1 3 347.547 2.484 10 0 EEAEHO C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268541179 463784503 /nfs/dbraw/zinc/78/45/03/463784503.db2.gz TUJUSGHMYZLYLN-AEFFLSMTSA-N 1 3 332.492 2.243 10 0 EEAEHO c1nn(-c2ccccc2)cc1CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261961641 463910779 /nfs/dbraw/zinc/91/07/79/463910779.db2.gz PRMGFPACXHQTHI-GUDVDZBRSA-N 1 3 326.444 2.119 10 0 EEAEHO COc1cccc([C@H](C)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000262200220 463971701 /nfs/dbraw/zinc/97/17/01/463971701.db2.gz KLIUFADUMACDMS-FRQCXROJSA-N 1 3 345.487 2.336 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NCC1([NH3+])CCCCCC1 ZINC000237185000 464279906 /nfs/dbraw/zinc/27/99/06/464279906.db2.gz XYQKWYBMZROBDB-UHFFFAOYSA-N 1 3 333.476 2.409 10 0 EEAEHO Cn1cc([C@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000272419459 464602937 /nfs/dbraw/zinc/60/29/37/464602937.db2.gz NDXDZGZXPBCRJZ-YSTOQKLRSA-N 1 3 340.471 2.239 10 0 EEAEHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccccc2OC2CC2)CC1 ZINC000294830993 464618772 /nfs/dbraw/zinc/61/87/72/464618772.db2.gz AAGBKCMNFJSOTB-UHFFFAOYSA-N 1 3 345.487 2.118 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC[NH2+]1 ZINC000568966333 468413870 /nfs/dbraw/zinc/41/38/70/468413870.db2.gz GXYFWRHMZZMVHV-YVWKXTFCSA-N 1 3 344.503 2.481 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4CCCC[C@H]4C3)CC2)CC1 ZINC000176479908 464783815 /nfs/dbraw/zinc/78/38/15/464783815.db2.gz MQGCEXSMHJMOJJ-IRXDYDNUSA-N 1 3 348.535 2.377 10 0 EEAEHO CCC[NH+]1CCC(N[C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC000282363987 464789890 /nfs/dbraw/zinc/78/98/90/464789890.db2.gz HUMYPJYEDUDPSX-GOSISDBHSA-N 1 3 345.487 2.130 10 0 EEAEHO C[NH+](C)C1CCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000351860116 465403743 /nfs/dbraw/zinc/40/37/43/465403743.db2.gz YKEXMRYHAIWOSJ-UHFFFAOYSA-N 1 3 330.520 2.225 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339861672 465556864 /nfs/dbraw/zinc/55/68/64/465556864.db2.gz NWUCVLUJYSTPRT-CEXWTWQISA-N 1 3 344.503 2.085 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339861672 465556868 /nfs/dbraw/zinc/55/68/68/465556868.db2.gz NWUCVLUJYSTPRT-CEXWTWQISA-N 1 3 344.503 2.085 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371227944 465655022 /nfs/dbraw/zinc/65/50/22/465655022.db2.gz FMCFVZROMCFXPI-AEFFLSMTSA-N 1 3 345.487 2.231 10 0 EEAEHO O=C(CC1(N2CCOCC2)CCCC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371226120 465656126 /nfs/dbraw/zinc/65/61/26/465656126.db2.gz AOTDPARFHXFWCF-ROUUACIJSA-N 1 3 349.519 2.012 10 0 EEAEHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000340146871 465813919 /nfs/dbraw/zinc/81/39/19/465813919.db2.gz HSOPRBHOLNGXIP-NEWSRXKRSA-N 1 3 344.503 2.463 10 0 EEAEHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000340146871 465813920 /nfs/dbraw/zinc/81/39/20/465813920.db2.gz HSOPRBHOLNGXIP-NEWSRXKRSA-N 1 3 344.503 2.463 10 0 EEAEHO Fc1ccc2c(c1Br)CC[C@H]2NCCN1CC[NH2+]CC1 ZINC000423202447 466695991 /nfs/dbraw/zinc/69/59/91/466695991.db2.gz KTCBKSRGCYJLNM-CQSZACIVSA-N 1 3 342.256 2.070 10 0 EEAEHO CN(Cc1cccc(Br)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250299 472042640 /nfs/dbraw/zinc/04/26/40/472042640.db2.gz DUJYKGYENWUQQO-AWEZNQCLSA-N 1 3 325.250 2.402 10 0 EEAEHO CN(CCNC(=O)NC[C@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000417228238 466809396 /nfs/dbraw/zinc/80/93/96/466809396.db2.gz FALANDHORIKCCU-SFHVURJKSA-N 1 3 326.444 2.118 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)CC1 ZINC000365722534 466918504 /nfs/dbraw/zinc/91/85/04/466918504.db2.gz IRYBENNALSYGGJ-SJLPKXTDSA-N 1 3 344.503 2.405 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000418140046 467057395 /nfs/dbraw/zinc/05/73/95/467057395.db2.gz KOFHYSXQTWYPJI-AYOQOUSVSA-N 1 3 344.503 2.194 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000418564126 467129432 /nfs/dbraw/zinc/12/94/32/467129432.db2.gz WNNMWYYCQVUOET-ZIFCJYIRSA-N 1 3 344.503 2.290 10 0 EEAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)Cn2cncn2)CC1 ZINC000449098994 467617657 /nfs/dbraw/zinc/61/76/57/467617657.db2.gz LVCXIOJOJUJWHQ-DLBZAZTESA-N 1 3 327.476 2.352 10 0 EEAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@]2(O)CCO[C@@H]2C)CC1 ZINC000449293404 467628613 /nfs/dbraw/zinc/62/86/13/467628613.db2.gz VGHJBXYGQQBJGW-MBOZVWFJSA-N 1 3 332.488 2.212 10 0 EEAEHO O=C(Nc1ccc2c(c1)OCCNC2)NC1CC[NH+](CC2CC2)CC1 ZINC000528712638 467734850 /nfs/dbraw/zinc/73/48/50/467734850.db2.gz CRYXIYDRKROICS-UHFFFAOYSA-N 1 3 344.459 2.165 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000515220925 467981041 /nfs/dbraw/zinc/98/10/41/467981041.db2.gz IQFNHYKUMUXXKI-APWZRJJASA-N 1 3 344.503 2.470 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)[C@H]2CN3CCC2CC3)CC1 ZINC000530727436 468004777 /nfs/dbraw/zinc/00/47/77/468004777.db2.gz JINLJHRKGMAPRF-IBGZPJMESA-N 1 3 342.487 2.159 10 0 EEAEHO CCN1C[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000516926412 468056467 /nfs/dbraw/zinc/05/64/67/468056467.db2.gz DUUJQXCYFAKOTP-ROUUACIJSA-N 1 3 327.472 2.394 10 0 EEAEHO CCN1C[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000516926412 468056470 /nfs/dbraw/zinc/05/64/70/468056470.db2.gz DUUJQXCYFAKOTP-ROUUACIJSA-N 1 3 327.472 2.394 10 0 EEAEHO CC(C)N(Cc1cncc(C[N@H+](C[C@H](C)O)C(C)C)c1)C[C@H](C)O ZINC000517010754 468063869 /nfs/dbraw/zinc/06/38/69/468063869.db2.gz CNYJVLZTKIDFAA-IRXDYDNUSA-N 1 3 337.508 2.264 10 0 EEAEHO CC(C)N(Cc1cncc(C[N@@H+](C[C@H](C)O)C(C)C)c1)C[C@H](C)O ZINC000517010754 468063872 /nfs/dbraw/zinc/06/38/72/468063872.db2.gz CNYJVLZTKIDFAA-IRXDYDNUSA-N 1 3 337.508 2.264 10 0 EEAEHO C[N@H+](CCNC(=O)Nc1ccc2c(c1F)CCNC2)C1CCCC1 ZINC000583013112 468629269 /nfs/dbraw/zinc/62/92/69/468629269.db2.gz TXOCZAGICAEXHC-UHFFFAOYSA-N 1 3 334.439 2.467 10 0 EEAEHO C[N@@H+](CCNC(=O)Nc1ccc2c(c1F)CCNC2)C1CCCC1 ZINC000583013112 468629274 /nfs/dbraw/zinc/62/92/74/468629274.db2.gz TXOCZAGICAEXHC-UHFFFAOYSA-N 1 3 334.439 2.467 10 0 EEAEHO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000595075252 468753410 /nfs/dbraw/zinc/75/34/10/468753410.db2.gz XPZNJFFQAFKRTB-CRAIPNDOSA-N 1 3 348.487 2.463 10 0 EEAEHO CN1CCC[C@H](NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000593502556 469007615 /nfs/dbraw/zinc/00/76/15/469007615.db2.gz UIELEMMHENGDQY-INIZCTEOSA-N 1 3 334.464 2.233 10 0 EEAEHO C[NH+]1CCC(O)(CNCc2ccc(C(=O)OC(C)(C)C)s2)CC1 ZINC000598966691 469069645 /nfs/dbraw/zinc/06/96/45/469069645.db2.gz YLGASZZUGXWFKW-UHFFFAOYSA-N 1 3 340.489 2.250 10 0 EEAEHO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC2(N)CCOCC2)cc1 ZINC000629520193 469571559 /nfs/dbraw/zinc/57/15/59/469571559.db2.gz DGLIFTLHRWSDMV-CQSZACIVSA-N 1 3 334.464 2.375 10 0 EEAEHO COc1ccccc1C(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504900 469703601 /nfs/dbraw/zinc/70/36/01/469703601.db2.gz ONGUEJCKXIIGBG-INIZCTEOSA-N 1 3 349.519 2.361 10 0 EEAEHO COc1ccccc1C(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504900 469703604 /nfs/dbraw/zinc/70/36/04/469703604.db2.gz ONGUEJCKXIIGBG-INIZCTEOSA-N 1 3 349.519 2.361 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c(F)cc(F)cc1F ZINC000617505847 469704812 /nfs/dbraw/zinc/70/48/12/469704812.db2.gz SEXFNDKAPCKGDO-NSHDSACASA-N 1 3 331.382 2.106 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c(F)cc(F)cc1F ZINC000617505847 469704817 /nfs/dbraw/zinc/70/48/17/469704817.db2.gz SEXFNDKAPCKGDO-NSHDSACASA-N 1 3 331.382 2.106 10 0 EEAEHO C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1c(F)cccc1F ZINC000617506316 469706437 /nfs/dbraw/zinc/70/64/37/469706437.db2.gz KETZFAMJOVAYHL-UONOGXRCSA-N 1 3 341.446 2.457 10 0 EEAEHO C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1c(F)cccc1F ZINC000617506316 469706440 /nfs/dbraw/zinc/70/64/40/469706440.db2.gz KETZFAMJOVAYHL-UONOGXRCSA-N 1 3 341.446 2.457 10 0 EEAEHO CC[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1CC)N1CCc2ccccc2C1 ZINC000626935043 469760645 /nfs/dbraw/zinc/76/06/45/469760645.db2.gz VRIUTZBDFDWVBL-CEXWTWQISA-N 1 3 344.503 2.263 10 0 EEAEHO C[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)N(C)C ZINC000623975782 469810066 /nfs/dbraw/zinc/81/00/66/469810066.db2.gz PQLIMNKHDYBCRS-AYOQOUSVSA-N 1 3 329.488 2.211 10 0 EEAEHO C[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)N(C)C ZINC000623975782 469810071 /nfs/dbraw/zinc/81/00/71/469810071.db2.gz PQLIMNKHDYBCRS-AYOQOUSVSA-N 1 3 329.488 2.211 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)C[NH2+]1 ZINC000627208521 469844918 /nfs/dbraw/zinc/84/49/18/469844918.db2.gz YBCGXDWEBPXYOD-LMMKCTJWSA-N 1 3 344.503 2.290 10 0 EEAEHO CN1CCC[C@H](CNC(=O)NCCC[NH+](C)C)[C@H]1c1cccs1 ZINC000608615463 469845897 /nfs/dbraw/zinc/84/58/97/469845897.db2.gz XYQJKRZSYTXSKG-ZBFHGGJFSA-N 1 3 338.521 2.382 10 0 EEAEHO C[C@@H]1CN(CCC(=O)Nc2ccccc2Br)C[C@H]1C[NH3+] ZINC000631841966 470187042 /nfs/dbraw/zinc/18/70/42/470187042.db2.gz SJJXGXGOVKJMFD-VXGBXAGGSA-N 1 3 340.265 2.304 10 0 EEAEHO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1CN ZINC000631841966 470187043 /nfs/dbraw/zinc/18/70/43/470187043.db2.gz SJJXGXGOVKJMFD-VXGBXAGGSA-N 1 3 340.265 2.304 10 0 EEAEHO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1CN ZINC000631841966 470187044 /nfs/dbraw/zinc/18/70/44/470187044.db2.gz SJJXGXGOVKJMFD-VXGBXAGGSA-N 1 3 340.265 2.304 10 0 EEAEHO C[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000634711469 470284290 /nfs/dbraw/zinc/28/42/90/470284290.db2.gz PJJDTWCXJKMMJC-QAKNJHSXSA-N 1 3 346.515 2.399 10 0 EEAEHO C[C@H](NC[C@H](O)C[C@](C)(O)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000634711469 470284291 /nfs/dbraw/zinc/28/42/91/470284291.db2.gz PJJDTWCXJKMMJC-QAKNJHSXSA-N 1 3 346.515 2.399 10 0 EEAEHO C[C@H](NC[C@H](O)C[C@](C)(O)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000634711469 470284293 /nfs/dbraw/zinc/28/42/93/470284293.db2.gz PJJDTWCXJKMMJC-QAKNJHSXSA-N 1 3 346.515 2.399 10 0 EEAEHO C[C@](O)(C[C@@H](O)CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634712311 470284708 /nfs/dbraw/zinc/28/47/08/470284708.db2.gz CIBUBEWLCCREFX-SXLOBPIMSA-N 1 3 332.488 2.010 10 0 EEAEHO C[C@](O)(C[C@@H](O)CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000634712311 470284709 /nfs/dbraw/zinc/28/47/09/470284709.db2.gz CIBUBEWLCCREFX-SXLOBPIMSA-N 1 3 332.488 2.010 10 0 EEAEHO C[N@@H+]1CCC[C@@H]1CCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000649751691 470686277 /nfs/dbraw/zinc/68/62/77/470686277.db2.gz PTMHBVKRAVFVMG-QHAWAJNXSA-N 1 3 343.515 2.446 10 0 EEAEHO C[N@H+]1CCC[C@@H]1CCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000649751691 470686280 /nfs/dbraw/zinc/68/62/80/470686280.db2.gz PTMHBVKRAVFVMG-QHAWAJNXSA-N 1 3 343.515 2.446 10 0 EEAEHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2ccc3c(c2)OCCO3)C1 ZINC000650722219 470950823 /nfs/dbraw/zinc/95/08/23/470950823.db2.gz NHENBJOPLXJHBD-NUJGCVRESA-N 1 3 332.444 2.319 10 0 EEAEHO CN1CCO[C@@H]([C@@H](NCCC2(C[NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000650745177 470957416 /nfs/dbraw/zinc/95/74/16/470957416.db2.gz BCLZHPLQRUYHIQ-SJORKVTESA-N 1 3 337.895 2.430 10 0 EEAEHO CNC(=O)[C@H](C[NH2+][C@H]1CCC[C@@H]1N)Cc1ccc(C(F)(F)F)cc1 ZINC000647804102 470987993 /nfs/dbraw/zinc/98/79/93/470987993.db2.gz IUMMKFKUYRJFHK-QEJZJMRPSA-N 1 3 343.393 2.080 10 0 EEAEHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654657919 471118071 /nfs/dbraw/zinc/11/80/71/471118071.db2.gz VPZDZMFPMFUXBT-WOVMCDHWSA-N 1 3 348.491 2.226 10 0 EEAEHO CC1CCC(N2CCN(C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000654660580 471119013 /nfs/dbraw/zinc/11/90/13/471119013.db2.gz ZSVQLJQGJRUEAK-KUPNBSADSA-N 1 3 336.524 2.233 10 0 EEAEHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000640941589 471130125 /nfs/dbraw/zinc/13/01/25/471130125.db2.gz RVGOBLUMWKAMJL-MJGOQNOKSA-N 1 3 344.503 2.210 10 0 EEAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cnc4ccccn34)cc2)C1 ZINC000657596453 471179895 /nfs/dbraw/zinc/17/98/95/471179895.db2.gz WVPOPGRGKVMAOT-LJQANCHMSA-N 1 3 336.439 2.191 10 0 EEAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cnc4ccccn34)cc2)C1 ZINC000657596453 471179901 /nfs/dbraw/zinc/17/99/01/471179901.db2.gz WVPOPGRGKVMAOT-LJQANCHMSA-N 1 3 336.439 2.191 10 0 EEAEHO OC1CCN(Cc2ccc(C[NH2+][C@H]3COC4(CCC4)C3)cc2)CC1 ZINC000657873230 471243497 /nfs/dbraw/zinc/24/34/97/471243497.db2.gz LGSYPALZMLCMJB-GOSISDBHSA-N 1 3 330.472 2.445 10 0 EEAEHO COC[C@H](CC1CCOCC1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000657918184 471248355 /nfs/dbraw/zinc/24/83/55/471248355.db2.gz BAMXOFCVNMNFTK-LNLFQRSKSA-N 1 3 342.524 2.297 10 0 EEAEHO CN1CC[C@@H](NC(=O)NCCC2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000652174445 471250415 /nfs/dbraw/zinc/25/04/15/471250415.db2.gz UNWWGWTYPOJCCR-MSOLQXFVSA-N 1 3 330.476 2.121 10 0 EEAEHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCC1(C[NH3+])CC1)N(C)C ZINC000652191534 471253100 /nfs/dbraw/zinc/25/31/00/471253100.db2.gz XLNWYODCYFEXKU-WBVHZDCISA-N 1 3 332.492 2.414 10 0 EEAEHO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658138787 471270214 /nfs/dbraw/zinc/27/02/14/471270214.db2.gz OBOPUGXHKZLSKV-WOJBJXKFSA-N 1 3 342.487 2.264 10 0 EEAEHO CCc1nc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)sc1C ZINC000666222745 471321819 /nfs/dbraw/zinc/32/18/19/471321819.db2.gz MNAXLKJZOIFJQN-LBPRGKRZSA-N 1 3 341.525 2.407 10 0 EEAEHO CCc1nc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)sc1C ZINC000666222745 471321824 /nfs/dbraw/zinc/32/18/24/471321824.db2.gz MNAXLKJZOIFJQN-LBPRGKRZSA-N 1 3 341.525 2.407 10 0 EEAEHO CCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(C)nn2C2CCN(C)CC2)C1 ZINC000666282780 471338596 /nfs/dbraw/zinc/33/85/96/471338596.db2.gz KVJMYPCNALWRDL-HNNXBMFYSA-N 1 3 348.495 2.064 10 0 EEAEHO CCC[N@H+]1CC[C@H](NC(=O)Nc2cc(C)nn2C2CCN(C)CC2)C1 ZINC000666282780 471338602 /nfs/dbraw/zinc/33/86/02/471338602.db2.gz KVJMYPCNALWRDL-HNNXBMFYSA-N 1 3 348.495 2.064 10 0 EEAEHO CCc1ccc([C@H]2C[NH2+]CCN2Cc2nc3c(s2)CNCC3)cc1 ZINC000663495044 471400620 /nfs/dbraw/zinc/40/06/20/471400620.db2.gz ULNYJVLNHLBNLW-QGZVFWFLSA-N 1 3 342.512 2.498 10 0 EEAEHO CCN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000663698552 471481766 /nfs/dbraw/zinc/48/17/66/471481766.db2.gz ZECDLEKDQFPGGB-RBUKOAKNSA-N 1 3 344.503 2.387 10 0 EEAEHO CCN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000663698552 471481771 /nfs/dbraw/zinc/48/17/71/471481771.db2.gz ZECDLEKDQFPGGB-RBUKOAKNSA-N 1 3 344.503 2.387 10 0 EEAEHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659047783 471487985 /nfs/dbraw/zinc/48/79/85/471487985.db2.gz VGUFKPCJOMNODV-WMLDXEAASA-N 1 3 334.464 2.198 10 0 EEAEHO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659047783 471487989 /nfs/dbraw/zinc/48/79/89/471487989.db2.gz VGUFKPCJOMNODV-WMLDXEAASA-N 1 3 334.464 2.198 10 0 EEAEHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483592 471514758 /nfs/dbraw/zinc/51/47/58/471514758.db2.gz CAKPVKOUPIIWCR-SZMVWBNQSA-N 1 3 330.476 2.345 10 0 EEAEHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655921524 471540672 /nfs/dbraw/zinc/54/06/72/471540672.db2.gz OLVUPSACPOSFNZ-CYBMUJFWSA-N 1 3 346.397 2.086 10 0 EEAEHO CN(C)[C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000659465313 471641527 /nfs/dbraw/zinc/64/15/27/471641527.db2.gz VHTYUHOQFKFSRJ-KFWWJZLASA-N 1 3 342.846 2.023 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc2c(c1)CCC2=O ZINC000667165215 471677913 /nfs/dbraw/zinc/67/79/13/471677913.db2.gz QPFFNCHWROYTQC-AWEZNQCLSA-N 1 3 346.475 2.209 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc2c(c1)CCC2=O ZINC000667165215 471677919 /nfs/dbraw/zinc/67/79/19/471677919.db2.gz QPFFNCHWROYTQC-AWEZNQCLSA-N 1 3 346.475 2.209 10 0 EEAEHO CCN(C(=O)N[C@H](C)C[NH2+]C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000659639467 471706827 /nfs/dbraw/zinc/70/68/27/471706827.db2.gz ZQNAIRFGGIDYBC-RYRKJORJSA-N 1 3 332.492 2.461 10 0 EEAEHO Cc1cc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)ncn1 ZINC000662327116 472072477 /nfs/dbraw/zinc/07/24/77/472072477.db2.gz JSRGRBBJMYLNHA-UHFFFAOYSA-N 1 3 340.475 2.355 10 0 EEAEHO CC(C)[C@H](C)N(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1CC1 ZINC000665759588 472175584 /nfs/dbraw/zinc/17/55/84/472175584.db2.gz KHFNSSJUYLTCRC-HOTGVXAUSA-N 1 3 326.529 2.477 10 0 EEAEHO CC(C)[C@H](C)N(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1CC1 ZINC000665759588 472175590 /nfs/dbraw/zinc/17/55/90/472175590.db2.gz KHFNSSJUYLTCRC-HOTGVXAUSA-N 1 3 326.529 2.477 10 0 EEAEHO CCC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665759552 472175919 /nfs/dbraw/zinc/17/59/19/472175919.db2.gz JTASZTWOKVCLRG-DLBZAZTESA-N 1 3 326.529 2.480 10 0 EEAEHO CCC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665759552 472175926 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CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCCN2C2CC2)[C@@H](C)C1 ZINC000434359614 485714800 /nfs/dbraw/zinc/71/48/00/485714800.db2.gz XDUBBYPPRMZMAN-SZMVWBNQSA-N 1 3 336.524 2.375 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCCN2C2CC2)[C@@H](C)C1 ZINC000434359614 485714806 /nfs/dbraw/zinc/71/48/06/485714806.db2.gz XDUBBYPPRMZMAN-SZMVWBNQSA-N 1 3 336.524 2.375 10 0 EEAEHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C1CC1)[C@H]1CNCCO1 ZINC000422795994 535611760 /nfs/dbraw/zinc/61/17/60/535611760.db2.gz XGKYFUNBEUJBKN-UXHICEINSA-N 1 3 331.504 2.385 10 0 EEAEHO COc1ccc([C@@H](NCC2(N(C)C)CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422727358 536889974 /nfs/dbraw/zinc/88/99/74/536889974.db2.gz HHBJVCADLKFURD-RTBURBONSA-N 1 3 347.503 2.189 10 0 EEAEHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC000924963872 682036399 /nfs/dbraw/zinc/03/63/99/682036399.db2.gz HDWHNXIPMQQOKL-FUHWJXTLSA-N 1 3 330.476 2.100 10 0 EEAEHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000895266431 684411118 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CC[N@H+](C)CCC(=O)N1CCC[C@@H](CCNCc2cnc(C)o2)C1 ZINC001269786413 1184623887 /nfs/dbraw/zinc/62/38/87/1184623887.db2.gz UUPFUQXUDKMOHD-INIZCTEOSA-N 1 3 336.480 2.043 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](CCNCc2cnc(C)o2)C1 ZINC001269786413 1184623888 /nfs/dbraw/zinc/62/38/88/1184623888.db2.gz UUPFUQXUDKMOHD-INIZCTEOSA-N 1 3 336.480 2.043 10 0 EEAEHO C[C@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001482329988 1185412484 /nfs/dbraw/zinc/41/24/84/1185412484.db2.gz GEWOTRSVMJMMAS-HJPCAMOWSA-N 1 3 329.488 2.478 10 0 EEAEHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNCc1cc(C)ns1 ZINC001482370215 1185535698 /nfs/dbraw/zinc/53/56/98/1185535698.db2.gz SYPXAFQZAJXFTD-GDBMZVCRSA-N 1 3 338.521 2.262 10 0 EEAEHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNCc1cc(C)ns1 ZINC001482370215 1185535705 /nfs/dbraw/zinc/53/57/05/1185535705.db2.gz SYPXAFQZAJXFTD-GDBMZVCRSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1cc(C)cc(OCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)c1 ZINC001270923087 1185743349 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EEAEHO Cc1ccccc1C[NH2+]C/C=C\CNC(=O)CN1CCC(C)CC1 ZINC001483078668 1188438842 /nfs/dbraw/zinc/43/88/42/1188438842.db2.gz SKKFRNOPXQMIAT-WAYWQWQTSA-N 1 3 329.488 2.489 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)NC/C=C\CN[C@H]2CCCc3ccc(F)cc32)C1 ZINC001483091898 1188459657 /nfs/dbraw/zinc/45/96/57/1188459657.db2.gz BAQNPISJHKNFOJ-TWGZOZLHSA-N 1 3 345.462 2.417 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)NC/C=C\CN[C@H]2CCCc3ccc(F)cc32)C1 ZINC001483091898 1188459659 /nfs/dbraw/zinc/45/96/59/1188459659.db2.gz BAQNPISJHKNFOJ-TWGZOZLHSA-N 1 3 345.462 2.417 10 0 EEAEHO Cc1ncc(CNCC2CC(NC(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)o1 ZINC001409274756 1188555629 /nfs/dbraw/zinc/55/56/29/1188555629.db2.gz FXXKFYNWIFJKEL-LEOMRAHMSA-N 1 3 348.491 2.088 10 0 EEAEHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2F)C1)N(C)C ZINC001409289881 1188602482 /nfs/dbraw/zinc/60/24/82/1188602482.db2.gz FGSGKZBMXHORND-QOJXUVEWSA-N 1 3 339.430 2.289 10 0 EEAEHO C[C@@H](C[NH2+]CCc1ccccc1Cl)NC(=O)C1(N(C)C)CCC1 ZINC001483235474 1189984452 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335.467 2.459 10 0 EEAEHO CCCC[C@H](CNCc1cncc(C)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001409837628 1190668304 /nfs/dbraw/zinc/66/83/04/1190668304.db2.gz LBVVGPICAOPAQM-ZWKOTPCHSA-N 1 3 332.492 2.106 10 0 EEAEHO CCCC[C@H](CNCc1cncc(C)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001409837628 1190668305 /nfs/dbraw/zinc/66/83/05/1190668305.db2.gz LBVVGPICAOPAQM-ZWKOTPCHSA-N 1 3 332.492 2.106 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1([NH2+]Cc2ccc(Cl)nc2)CCC1 ZINC001280545109 1190871753 /nfs/dbraw/zinc/87/17/53/1190871753.db2.gz KALLNYMLLXXJMV-UHFFFAOYSA-N 1 3 338.883 2.204 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001483801389 1191043224 /nfs/dbraw/zinc/04/32/24/1191043224.db2.gz IKSHOUDIGZAWDG-WMZOPIPTSA-N 1 3 348.491 2.082 10 0 EEAEHO CCOCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001483801389 1191043231 /nfs/dbraw/zinc/04/32/31/1191043231.db2.gz IKSHOUDIGZAWDG-WMZOPIPTSA-N 1 3 348.491 2.082 10 0 EEAEHO CC(C)N1CCC(F)(F)[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001484198817 1191269814 /nfs/dbraw/zinc/26/98/14/1191269814.db2.gz WPWSOOKPRLSTQU-HNNXBMFYSA-N 1 3 331.451 2.344 10 0 EEAEHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCCCC(F)(F)F ZINC001484377910 1191321404 /nfs/dbraw/zinc/32/14/04/1191321404.db2.gz KPQUJSOHDRNNOW-QWHCGFSZSA-N 1 3 346.397 2.369 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001484512163 1191390308 /nfs/dbraw/zinc/39/03/08/1191390308.db2.gz DDLVOBURBROBEW-AEFFLSMTSA-N 1 3 333.451 2.248 10 0 EEAEHO Cc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(C)n1 ZINC001484513253 1191390999 /nfs/dbraw/zinc/39/09/99/1191390999.db2.gz OHYBYFAEBBUEDD-MJGOQNOKSA-N 1 3 344.503 2.121 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C1CCC([NH2+]Cc2ccccn2)CC1 ZINC001485243383 1191707154 /nfs/dbraw/zinc/70/71/54/1191707154.db2.gz PNRFCKMNWBOJMI-UHFFFAOYSA-N 1 3 332.492 2.281 10 0 EEAEHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cccc2c1CCOC2)N(C)C ZINC001485319249 1191733336 /nfs/dbraw/zinc/73/33/36/1191733336.db2.gz MUYUUYXRZILPQG-HNAYVOBHSA-N 1 3 347.503 2.036 10 0 EEAEHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1cccc2c1CCOC2)N(C)C ZINC001485319249 1191733338 /nfs/dbraw/zinc/73/33/38/1191733338.db2.gz MUYUUYXRZILPQG-HNAYVOBHSA-N 1 3 347.503 2.036 10 0 EEAEHO COCCCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001691689727 1197506668 /nfs/dbraw/zinc/50/66/68/1197506668.db2.gz LBUKBQWMNAKOTE-INIZCTEOSA-N 1 3 348.491 2.082 10 0 EEAEHO C[C@@H]1[C@H](NCc2ccccc2OC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001410869929 1198515687 /nfs/dbraw/zinc/51/56/87/1198515687.db2.gz WYEGVONFXZGZPB-CRAIPNDOSA-N 1 3 345.487 2.259 10 0 EEAEHO Cc1nc(CNC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C)cs1 ZINC001411215051 1198925981 /nfs/dbraw/zinc/92/59/81/1198925981.db2.gz XVOKIMBOCRJHBP-LSDHHAIUSA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1nc(CNC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C)cs1 ZINC001411215051 1198925983 /nfs/dbraw/zinc/92/59/83/1198925983.db2.gz XVOKIMBOCRJHBP-LSDHHAIUSA-N 1 3 338.521 2.166 10 0 EEAEHO CC(C)(CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)N1CCc2ccccc2C1 ZINC000870863494 1200918373 /nfs/dbraw/zinc/91/83/73/1200918373.db2.gz KNEREOQPMOUTBU-UWVAXJGDSA-N 1 3 327.472 2.067 10 0 EEAEHO CCCC[NH2+][C@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C(F)(F)F ZINC001279182874 1204337945 /nfs/dbraw/zinc/33/79/45/1204337945.db2.gz ZKMHUXYNZAPQPK-KGLIPLIRSA-N 1 3 337.430 2.497 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC[C@H]1CCCCO1 ZINC001274610224 1205097059 /nfs/dbraw/zinc/09/70/59/1205097059.db2.gz MXGJWAYZGUDMGM-PJHKVULZSA-N 1 3 337.508 2.082 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000925331882 1206098433 /nfs/dbraw/zinc/09/84/33/1206098433.db2.gz XWEQVCKDTCFHLM-VQIMIIECSA-N 1 3 344.503 2.385 10 0 EEAEHO CC1(C)[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925562616 1206128419 /nfs/dbraw/zinc/12/84/19/1206128419.db2.gz IHKPGSCLBJCSEZ-CEXWTWQISA-N 1 3 328.504 2.412 10 0 EEAEHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(N2CCNC2=O)cc1 ZINC000925775184 1206153223 /nfs/dbraw/zinc/15/32/23/1206153223.db2.gz DQAPAYRISRNSGR-TZMCWYRMSA-N 1 3 338.402 2.112 10 0 EEAEHO CNC(=O)C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC)c1ccccc1 ZINC000926345440 1206214759 /nfs/dbraw/zinc/21/47/59/1206214759.db2.gz QBBUWAHHTHWMDL-XVLXNVKGSA-N 1 3 345.487 2.095 10 0 EEAEHO Cc1ccc([C@H](NC(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)C2CC2)cc1 ZINC000903496494 1240672190 /nfs/dbraw/zinc/67/21/90/1240672190.db2.gz PQQSJRUXDQWRIF-ZTNFWEORSA-N 1 3 329.488 2.479 10 0 EEAEHO O=c1[nH]c2cccc(N3CCN(CCCC4CC[NH2+]CC4)CC3)c2[nH]1 ZINC000903577859 1241010052 /nfs/dbraw/zinc/01/00/52/1241010052.db2.gz XUCPCIQOZUECCN-UHFFFAOYSA-N 1 3 343.475 2.170 10 0 EEAEHO Cc1c(C[C@H](CN)C[NH2+]CC[C@H]2CCc3ccccc3N2)cnn1C ZINC000903932473 1242552865 /nfs/dbraw/zinc/55/28/65/1242552865.db2.gz RWJDHHAGFKSCCZ-VQIMIIECSA-N 1 3 341.503 2.253 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NCC[NH+]2CCCCCC2)cc(Cl)n1 ZINC000826903058 1248116040 /nfs/dbraw/zinc/11/60/40/1248116040.db2.gz QZXFQOUDBHXNCA-OAHLLOKOSA-N 1 3 338.883 2.426 10 0 EEAEHO Cc1ccc(F)cc1CN1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001491119622 1258700279 /nfs/dbraw/zinc/70/02/79/1258700279.db2.gz HGYDLDBDVLHOPT-INIZCTEOSA-N 1 3 335.467 2.414 10 0 EEAEHO Cc1ccc(CN[C@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)c(C)n1 ZINC001491495297 1259145420 /nfs/dbraw/zinc/14/54/20/1259145420.db2.gz MMSCPUWWTUMYFE-MRXNPFEDSA-N 1 3 344.503 2.169 10 0 EEAEHO CCC1([NH2+]CCC[C@H](C)O)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001273782845 1285657451 /nfs/dbraw/zinc/65/74/51/1285657451.db2.gz PAVHOVPKSGOGMQ-DLBZAZTESA-N 1 3 341.540 2.094 10 0 EEAEHO CN(C(=O)CC[NH+](C)C)C1CCN(CCc2ccccc2F)CC1 ZINC001490416020 1291327056 /nfs/dbraw/zinc/32/70/56/1291327056.db2.gz IHHFPEFJNJIKII-UHFFFAOYSA-N 1 3 335.467 2.243 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CC12CC[NH+](CC1CC(F)(F)C1)CC2 ZINC001490607448 1291517924 /nfs/dbraw/zinc/51/79/24/1291517924.db2.gz CFGPLMPYRMLPGA-HNNXBMFYSA-N 1 3 343.462 2.343 10 0 EEAEHO CN(C)CCN(CCCc1ccccc1)C(=O)C=C1CC[NH2+]CC1 ZINC000852883337 1292223922 /nfs/dbraw/zinc/22/39/22/1292223922.db2.gz IKRPVWVRUCQGMP-UHFFFAOYSA-N 1 3 329.488 2.319 10 0 EEAEHO O=C1O[C@]2(CN1CN(CCC1CC1)CC1CC1)C[NH+]1CCC2CC1 ZINC000853607684 1292425353 /nfs/dbraw/zinc/42/53/53/1292425353.db2.gz SPRHKZGKBVBZNQ-IBGZPJMESA-N 1 3 333.476 2.373 10 0 EEAEHO OC1(CN[C@@H]2CCCc3c[nH]nc32)CC[NH+](Cc2ccccc2)CC1 ZINC000857869327 1293936707 /nfs/dbraw/zinc/93/67/07/1293936707.db2.gz MYQDPEHNUJNPAN-GOSISDBHSA-N 1 3 340.471 2.404 10 0 EEAEHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931377321 1297165424 /nfs/dbraw/zinc/16/54/24/1297165424.db2.gz WCDRLUQLYRLUCN-CVEARBPZSA-N 1 3 330.476 2.443 10 0 EEAEHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931377321 1297165431 /nfs/dbraw/zinc/16/54/31/1297165431.db2.gz WCDRLUQLYRLUCN-CVEARBPZSA-N 1 3 330.476 2.443 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)Nc2cccc(OCC[NH3+])c2)cc(Cl)n1 ZINC000841847596 1315621926 /nfs/dbraw/zinc/62/19/26/1315621926.db2.gz BFJRGBYQUXFTJV-OAHLLOKOSA-N 1 3 348.834 2.410 10 0 EEAEHO CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCOC2CCC2)C1)N(C)C ZINC001264126157 1322635662 /nfs/dbraw/zinc/63/56/62/1322635662.db2.gz RRZFWCSKHZIFRB-WMZOPIPTSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)OCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C1CCC1 ZINC001264552308 1322730907 /nfs/dbraw/zinc/73/09/07/1322730907.db2.gz RWLCMZUAIRETAK-AEFFLSMTSA-N 1 3 339.524 2.112 10 0 EEAEHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CCCc3ccsc3)C2)CCC1 ZINC001265434191 1323153667 /nfs/dbraw/zinc/15/36/67/1323153667.db2.gz ZXZAMDPVTCHEDF-INIZCTEOSA-N 1 3 335.517 2.356 10 0 EEAEHO Cc1ccncc1CN[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001265461165 1323167215 /nfs/dbraw/zinc/16/72/15/1323167215.db2.gz JZCDDRVNQUVOIQ-IBGZPJMESA-N 1 3 344.503 2.347 10 0 EEAEHO Cc1cncc(CN(C)CCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001265865318 1323438506 /nfs/dbraw/zinc/43/85/06/1323438506.db2.gz YBPMERDEMCAKKL-SFHVURJKSA-N 1 3 332.492 2.203 10 0 EEAEHO Cc1cncc(CN(C)CCCNC(=O)CC[C@@H]2CCC[N@H+]2C)c1 ZINC001265865318 1323438510 /nfs/dbraw/zinc/43/85/10/1323438510.db2.gz YBPMERDEMCAKKL-SFHVURJKSA-N 1 3 332.492 2.203 10 0 EEAEHO CCN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1ncccc1C ZINC001266101078 1323664290 /nfs/dbraw/zinc/66/42/90/1323664290.db2.gz SGLBWCRYCILHQV-KRWDZBQOSA-N 1 3 332.492 2.060 10 0 EEAEHO CCN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1ncccc1C ZINC001266101078 1323664298 /nfs/dbraw/zinc/66/42/98/1323664298.db2.gz SGLBWCRYCILHQV-KRWDZBQOSA-N 1 3 332.492 2.060 10 0 EEAEHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cccnc1)N(C)C ZINC001266222539 1323793822 /nfs/dbraw/zinc/79/38/22/1323793822.db2.gz CRVADHXVLDWXRT-ZWKOTPCHSA-N 1 3 332.492 2.283 10 0 EEAEHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@H+]1Cc1cccnc1)N(C)C ZINC001266222539 1323793825 /nfs/dbraw/zinc/79/38/25/1323793825.db2.gz CRVADHXVLDWXRT-ZWKOTPCHSA-N 1 3 332.492 2.283 10 0 EEAEHO Cc1cc(CNCC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)on1 ZINC001280083040 1324078313 /nfs/dbraw/zinc/07/83/13/1324078313.db2.gz GWBQUBPSPTXKSB-IAGOWNOFSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1cc(CNCC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)on1 ZINC001280083040 1324078335 /nfs/dbraw/zinc/07/83/35/1324078335.db2.gz GWBQUBPSPTXKSB-IAGOWNOFSA-N 1 3 348.491 2.186 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCCOc2ccccc2)[C@@H](C)C1 ZINC001281475711 1325146586 /nfs/dbraw/zinc/14/65/86/1325146586.db2.gz KHZLXRHPOILMHW-HKUYNNGSSA-N 1 3 347.503 2.232 10 0 EEAEHO C[C@@H](CCCNCc1ccn(C)n1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001283173217 1325943854 /nfs/dbraw/zinc/94/38/54/1325943854.db2.gz JLNFSKIEGKBIPV-INIZCTEOSA-N 1 3 349.523 2.059 10 0 EEAEHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C(F)(F)F ZINC001284375934 1326527255 /nfs/dbraw/zinc/52/72/55/1326527255.db2.gz VDJARKZBHJDYSB-TZMCWYRMSA-N 1 3 344.381 2.145 10 0 EEAEHO Cc1cncc(CN(C)CCCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001316832369 1331356123 /nfs/dbraw/zinc/35/61/23/1331356123.db2.gz CXUAEHUAEHJMQU-LJQANCHMSA-N 1 3 346.519 2.449 10 0 EEAEHO Cc1cncc(CN(C)CCCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001316832369 1331356127 /nfs/dbraw/zinc/35/61/27/1331356127.db2.gz CXUAEHUAEHJMQU-LJQANCHMSA-N 1 3 346.519 2.449 10 0 EEAEHO COCCCCC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001316774927 1331886765 /nfs/dbraw/zinc/88/67/65/1331886765.db2.gz WDZZBWBKIBOERA-MRXNPFEDSA-N 1 3 336.480 2.130 10 0 EEAEHO CCN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@H](C)c1cnc(C)cn1 ZINC001316907254 1331972954 /nfs/dbraw/zinc/97/29/54/1331972954.db2.gz LCNKUXRNOOGHJB-SJORKVTESA-N 1 3 347.507 2.016 10 0 EEAEHO CCN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H](C)c1cnc(C)cn1 ZINC001316907254 1331972956 /nfs/dbraw/zinc/97/29/56/1331972956.db2.gz LCNKUXRNOOGHJB-SJORKVTESA-N 1 3 347.507 2.016 10 0 EEAEHO CCN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@@H](C)c1cnc(C)cn1 ZINC001316907246 1331973175 /nfs/dbraw/zinc/97/31/75/1331973175.db2.gz LCNKUXRNOOGHJB-DLBZAZTESA-N 1 3 347.507 2.016 10 0 EEAEHO CCN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H](C)c1cnc(C)cn1 ZINC001316907246 1331973178 /nfs/dbraw/zinc/97/31/78/1331973178.db2.gz LCNKUXRNOOGHJB-DLBZAZTESA-N 1 3 347.507 2.016 10 0 EEAEHO CC1CCN(CC(=O)N2CCC[C@H](C[NH2+]C/C=C/Cl)C2)CC1 ZINC001317162981 1332106672 /nfs/dbraw/zinc/10/66/72/1332106672.db2.gz YBXCUMLZZDSVLI-LERPRCHQSA-N 1 3 327.900 2.299 10 0 EEAEHO CC(C)OCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001317675494 1332364813 /nfs/dbraw/zinc/36/48/13/1332364813.db2.gz ICFHCKHDTRDASR-FUHWJXTLSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1ncc(C[NH2+]CC[C@@H]2CCCCN2C(=O)CN(C)C2CCC2)o1 ZINC001319757895 1332759770 /nfs/dbraw/zinc/75/97/70/1332759770.db2.gz HJUHSLWESBEKOL-KRWDZBQOSA-N 1 3 348.491 2.328 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001320891451 1332973247 /nfs/dbraw/zinc/97/32/47/1332973247.db2.gz JHBIVEBQOODZFJ-IEBWSBKVSA-N 1 3 346.519 2.449 10 0 EEAEHO Cc1ncsc1CNC/C=C\CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001321416238 1333098683 /nfs/dbraw/zinc/09/86/83/1333098683.db2.gz HKOJLEHANAMTPR-XTBPLBNGSA-N 1 3 336.505 2.086 10 0 EEAEHO Cc1ncsc1CNC/C=C\CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001321416238 1333098684 /nfs/dbraw/zinc/09/86/84/1333098684.db2.gz HKOJLEHANAMTPR-XTBPLBNGSA-N 1 3 336.505 2.086 10 0 EEAEHO CC[C@@H](C(=O)NC1(C[NH2+]CCC(C)(C)C)CCOCC1)N(C)C ZINC001327655665 1334328560 /nfs/dbraw/zinc/32/85/60/1334328560.db2.gz FCTPNNXMXWOCQX-HNNXBMFYSA-N 1 3 327.513 2.018 10 0 EEAEHO Cc1cncc(CN[C@H]2CN(C(=O)CCCC[NH+](C)C)CC2(C)C)c1 ZINC001332436509 1335823970 /nfs/dbraw/zinc/82/39/70/1335823970.db2.gz FBFROYQNMOCYMO-SFHVURJKSA-N 1 3 346.519 2.449 10 0 EEAEHO C[N@@H+]1CCC[C@@H](N2CCN(CC3([C@@H]4CCCCO4)CCC3)CC2)C1 ZINC001413968940 1338752856 /nfs/dbraw/zinc/75/28/56/1338752856.db2.gz XFYQKBGPPKKGGT-MOPGFXCFSA-N 1 3 335.536 2.438 10 0 EEAEHO C[N@H+]1CCC[C@@H](N2CCN(CC3([C@@H]4CCCCO4)CCC3)CC2)C1 ZINC001413968940 1338752860 /nfs/dbraw/zinc/75/28/60/1338752860.db2.gz XFYQKBGPPKKGGT-MOPGFXCFSA-N 1 3 335.536 2.438 10 0 EEAEHO CN(CCCNCc1cccc(F)c1Cl)C(=O)CC[NH+](C)C ZINC001670233577 1356300993 /nfs/dbraw/zinc/30/09/93/1356300993.db2.gz XUCUFDAKCBZIDL-UHFFFAOYSA-N 1 3 329.847 2.369 10 0 EEAEHO CC(C)OCC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001565843615 1342568579 /nfs/dbraw/zinc/56/85/79/1342568579.db2.gz WGSMFRJPZATOHQ-CALCHBBNSA-N 1 3 339.524 2.160 10 0 EEAEHO CN(CCNCc1ccc(Cl)c(F)c1)C(=O)CCC[NH+](C)C ZINC001567551767 1342783918 /nfs/dbraw/zinc/78/39/18/1342783918.db2.gz MYVFKZZNXXPTIP-UHFFFAOYSA-N 1 3 329.847 2.369 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCCO)c1ccccc1 ZINC001567663058 1342808099 /nfs/dbraw/zinc/80/80/99/1342808099.db2.gz FUOGXLJYQIMNEB-RTBURBONSA-N 1 3 347.503 2.079 10 0 EEAEHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CCCF ZINC001569836980 1342955704 /nfs/dbraw/zinc/95/57/04/1342955704.db2.gz JDAJLKSEMFJBCM-JKSUJKDBSA-N 1 3 327.488 2.295 10 0 EEAEHO Cc1ncc(C[NH2+]CC[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)s1 ZINC001570022201 1343001685 /nfs/dbraw/zinc/00/16/85/1343001685.db2.gz POGCKRZSFNKQEY-OAHLLOKOSA-N 1 3 338.521 2.120 10 0 EEAEHO COCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001570183386 1343028785 /nfs/dbraw/zinc/02/87/85/1343028785.db2.gz JLEXNYAAPOXNKV-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO COCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001570183386 1343028788 /nfs/dbraw/zinc/02/87/88/1343028788.db2.gz JLEXNYAAPOXNKV-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CCCCCF)C1 ZINC001570514304 1343077470 /nfs/dbraw/zinc/07/74/70/1343077470.db2.gz QROTZKFBZVKVKX-SJORKVTESA-N 1 3 327.488 2.439 10 0 EEAEHO CC(C)OCCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001571558627 1343237284 /nfs/dbraw/zinc/23/72/84/1343237284.db2.gz NWGDKQFUPHFOAH-QGZVFWFLSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCCN(C)Cc3ccccc3)C[N@@H+]2C1 ZINC001646935688 1353057175 /nfs/dbraw/zinc/05/71/75/1353057175.db2.gz OGOLTXWJEXHPAN-NZSAHSFTSA-N 1 3 329.488 2.355 10 0 EEAEHO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCCN(C)Cc3ccccc3)C[N@H+]2C1 ZINC001646935688 1353057178 /nfs/dbraw/zinc/05/71/78/1353057178.db2.gz OGOLTXWJEXHPAN-NZSAHSFTSA-N 1 3 329.488 2.355 10 0 EEAEHO CN(C)Cc1cccc(C(=O)N2CCCCC[C@@H]([NH2+]CCCO)C2)c1 ZINC001656908881 1354298545 /nfs/dbraw/zinc/29/85/45/1354298545.db2.gz LVSGMPKYGPJWJY-LJQANCHMSA-N 1 3 347.503 2.105 10 0 EEAEHO O=C(NCCCN(CCC(F)(F)F)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001660686130 1354516318 /nfs/dbraw/zinc/51/63/18/1354516318.db2.gz YIFOLXBOPYZKRF-OAHLLOKOSA-N 1 3 347.425 2.251 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H](OC)C1CCCC1 ZINC001664395681 1355153787 /nfs/dbraw/zinc/15/37/87/1355153787.db2.gz UAKYQWHBIGGMPG-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@H]1CC[N@H+](CCCOC)C1 ZINC001665743062 1355380944 /nfs/dbraw/zinc/38/09/44/1355380944.db2.gz TWINZPWFTTWRBG-IBGZPJMESA-N 1 3 347.503 2.321 10 0 EEAEHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@H]1CC[N@@H+](CCCOC)C1 ZINC001665743062 1355380947 /nfs/dbraw/zinc/38/09/47/1355380947.db2.gz TWINZPWFTTWRBG-IBGZPJMESA-N 1 3 347.503 2.321 10 0 EEAEHO CCN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)CN1CCCC1 ZINC001668645511 1355978863 /nfs/dbraw/zinc/97/88/63/1355978863.db2.gz NHQHLBLESMFVIL-UHFFFAOYSA-N 1 3 329.444 2.467 10 0 EEAEHO C[NH+](C)CCCC(=O)NC/C=C/CN[C@@H]1CCc2ccc(F)cc21 ZINC001669008025 1356066123 /nfs/dbraw/zinc/06/61/23/1356066123.db2.gz DUWBLPOTBAEGBT-OAJJDEHYSA-N 1 3 333.451 2.417 10 0 EEAEHO Cc1cc(CNC/C=C/CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001669139361 1356104106 /nfs/dbraw/zinc/10/41/06/1356104106.db2.gz NTMRKMSGGJLSOA-APHBUQMISA-N 1 3 335.517 2.469 10 0 EEAEHO Cc1cc(CNC/C=C/CNC(=O)C[C@@H]2CC[N@H+](C)C2)c(C)s1 ZINC001669139361 1356104111 /nfs/dbraw/zinc/10/41/11/1356104111.db2.gz NTMRKMSGGJLSOA-APHBUQMISA-N 1 3 335.517 2.469 10 0 EEAEHO C[C@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)c1cccc(CN(C)C)c1 ZINC001669482161 1356165666 /nfs/dbraw/zinc/16/56/66/1356165666.db2.gz GJHIKOXQTSBJQY-CRAIPNDOSA-N 1 3 333.476 2.025 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001672328139 1356501488 /nfs/dbraw/zinc/50/14/88/1356501488.db2.gz MXVOHKMOAHUIPI-STQMWFEESA-N 1 3 336.307 2.331 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]CCc3ccccc3F)C2)C1 ZINC001674579312 1356860177 /nfs/dbraw/zinc/86/01/77/1356860177.db2.gz XCGKQLKWCZBMLZ-KLHKWILBSA-N 1 3 347.478 2.194 10 0 EEAEHO Cc1ncc(CNCC[C@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001698919655 1405161064 /nfs/dbraw/zinc/16/10/64/1405161064.db2.gz DMRQVEWKQSACPQ-IAGOWNOFSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncc(CNCC[C@H]2CCCCN2C(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001698919655 1405161072 /nfs/dbraw/zinc/16/10/72/1405161072.db2.gz DMRQVEWKQSACPQ-IAGOWNOFSA-N 1 3 348.491 2.186 10 0 EEAEHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCC=C(Cl)Cl)CC[N@@H+]1C ZINC001699752119 1405466626 /nfs/dbraw/zinc/46/66/26/1405466626.db2.gz YOYAYGNOUYLOSP-FRRDWIJNSA-N 1 3 334.291 2.226 10 0 EEAEHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCC=C(Cl)Cl)CC[N@H+]1C ZINC001699752119 1405466630 /nfs/dbraw/zinc/46/66/30/1405466630.db2.gz YOYAYGNOUYLOSP-FRRDWIJNSA-N 1 3 334.291 2.226 10 0 EEAEHO CS[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C[C@H]1N1CCCC1 ZINC000907349348 784576456 /nfs/dbraw/zinc/57/64/56/784576456.db2.gz FFMKIQXDCPCXNI-YYIAUSFCSA-N 1 3 337.533 2.042 10 0 EEAEHO CS[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C[C@H]1N1CCCC1 ZINC000907349348 784576466 /nfs/dbraw/zinc/57/64/66/784576466.db2.gz FFMKIQXDCPCXNI-YYIAUSFCSA-N 1 3 337.533 2.042 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC=C(c2ccccc2)C1 ZINC000820080961 785781765 /nfs/dbraw/zinc/78/17/65/785781765.db2.gz QHXGKCYGQQKXAK-KRWDZBQOSA-N 1 3 344.503 2.367 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC=C(c2ccccc2)C1 ZINC000820080961 785781773 /nfs/dbraw/zinc/78/17/73/785781773.db2.gz QHXGKCYGQQKXAK-KRWDZBQOSA-N 1 3 344.503 2.367 10 0 EEAEHO C[C@@]12CN(C(=O)Cc3c[nH]cn3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000913083944 788614887 /nfs/dbraw/zinc/61/48/87/788614887.db2.gz FYPZFXITENGLMQ-WOJBJXKFSA-N 1 3 338.455 2.323 10 0 EEAEHO CN(Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303761 789342922 /nfs/dbraw/zinc/34/29/22/789342922.db2.gz KKPALAQSFUKLLJ-CQSZACIVSA-N 1 3 330.350 2.396 10 0 EEAEHO CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000923316145 789357300 /nfs/dbraw/zinc/35/73/00/789357300.db2.gz SRDHKVIHOFASQT-GSPSYOTPSA-N 1 3 333.398 2.002 10 0 EEAEHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1cccc3c1OC(F)(F)O3)CC2 ZINC000923444889 789554683 /nfs/dbraw/zinc/55/46/83/789554683.db2.gz INIXAHUQFMIBGB-CYBMUJFWSA-N 1 3 340.370 2.338 10 0 EEAEHO CCCOc1ccc(CNC(=O)CN2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923497655 789672111 /nfs/dbraw/zinc/67/21/11/789672111.db2.gz ICNXTCBKSSRPHB-WBVHZDCISA-N 1 3 333.476 2.008 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1Cc1ccc2c(c1)CCC2 ZINC001436480497 1087961039 /nfs/dbraw/zinc/96/10/39/1087961039.db2.gz GSRYPFZQDNQTPQ-BEFAXECRSA-N 1 3 329.488 2.206 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]Cc1ccc2c(c1)COC2)C1CC1 ZINC001436830224 1088439387 /nfs/dbraw/zinc/43/93/87/1088439387.db2.gz FIKUKIVGYLNLKE-IBGZPJMESA-N 1 3 345.487 2.041 10 0 EEAEHO COc1ccc(C)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001436977544 1088673232 /nfs/dbraw/zinc/67/32/32/1088673232.db2.gz SWGBXYUSQODDOM-ZIFCJYIRSA-N 1 3 347.503 2.327 10 0 EEAEHO C[C@@H](F)CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001436999278 1088750275 /nfs/dbraw/zinc/75/02/75/1088750275.db2.gz MQNLTAYQVJDYDQ-HZPDHXFCSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@@H](F)CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001436999278 1088750289 /nfs/dbraw/zinc/75/02/89/1088750289.db2.gz MQNLTAYQVJDYDQ-HZPDHXFCSA-N 1 3 327.488 2.437 10 0 EEAEHO C[NH+](C)CCCC(=O)NC[C@H]1CCCCN1C[C@H]1CC(C)(C)CO1 ZINC001437030897 1088849420 /nfs/dbraw/zinc/84/94/20/1088849420.db2.gz BHCCJNOCZHKUKD-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001437723952 1090278030 /nfs/dbraw/zinc/27/80/30/1090278030.db2.gz GGSCZDYJXMPCLY-MJGOQNOKSA-N 1 3 329.488 2.275 10 0 EEAEHO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001437723952 1090278099 /nfs/dbraw/zinc/27/80/99/1090278099.db2.gz GGSCZDYJXMPCLY-MJGOQNOKSA-N 1 3 329.488 2.275 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](CCCF)C1 ZINC001437945885 1090541523 /nfs/dbraw/zinc/54/15/23/1090541523.db2.gz MFXNNDIKIZFZFK-DLBZAZTESA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](CCCF)C1 ZINC001437945885 1090541531 /nfs/dbraw/zinc/54/15/31/1090541531.db2.gz MFXNNDIKIZFZFK-DLBZAZTESA-N 1 3 327.488 2.437 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CCOC(C)C)C1 ZINC001437986713 1090580674 /nfs/dbraw/zinc/58/06/74/1090580674.db2.gz HPXPKUJMHYAFKM-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCOC(C)C)C1 ZINC001437986713 1090580677 /nfs/dbraw/zinc/58/06/77/1090580677.db2.gz HPXPKUJMHYAFKM-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NCC2CN(CC/C=C/c3ccccc3)C2)C1 ZINC001438164521 1090676654 /nfs/dbraw/zinc/67/66/54/1090676654.db2.gz XVQHGIILKMDKOS-NTPDMAOXSA-N 1 3 341.499 2.480 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NCC2CN(CC/C=C/c3ccccc3)C2)C1 ZINC001438164521 1090676658 /nfs/dbraw/zinc/67/66/58/1090676658.db2.gz XVQHGIILKMDKOS-NTPDMAOXSA-N 1 3 341.499 2.480 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NC2(CNCc3ccc(F)cn3)CCCC2)C1 ZINC001438407856 1090895115 /nfs/dbraw/zinc/89/51/15/1090895115.db2.gz XZZNEDMGFVOHCB-HNNXBMFYSA-N 1 3 348.466 2.081 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NC2(CNCc3ccc(F)cn3)CCCC2)C1 ZINC001438407856 1090895126 /nfs/dbraw/zinc/89/51/26/1090895126.db2.gz XZZNEDMGFVOHCB-HNNXBMFYSA-N 1 3 348.466 2.081 10 0 EEAEHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1)CC(C)(C)C ZINC001438443070 1090945937 /nfs/dbraw/zinc/94/59/37/1090945937.db2.gz RMOAZMFXSUCDAT-BRWVUGGUSA-N 1 3 339.524 2.018 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCc2cncc(C)c2)C1 ZINC001445429084 1091185437 /nfs/dbraw/zinc/18/54/37/1091185437.db2.gz MMNIKKFWLHRHTO-SJLPKXTDSA-N 1 3 332.492 2.106 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCc2cncc(C)c2)C1 ZINC001445429084 1091185442 /nfs/dbraw/zinc/18/54/42/1091185442.db2.gz MMNIKKFWLHRHTO-SJLPKXTDSA-N 1 3 332.492 2.106 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)CNCc2cnccc2C)C1 ZINC001438689452 1091191497 /nfs/dbraw/zinc/19/14/97/1091191497.db2.gz ZIYKSJAHDPJFID-ROUUACIJSA-N 1 3 346.519 2.449 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)CNCc2cnccc2C)C1 ZINC001438689452 1091191502 /nfs/dbraw/zinc/19/15/02/1091191502.db2.gz ZIYKSJAHDPJFID-ROUUACIJSA-N 1 3 346.519 2.449 10 0 EEAEHO C[C@H](NC[C@@H](NC(=O)CC[NH+](C)C)C1CC1)c1cc(F)ccc1F ZINC001445966850 1091920749 /nfs/dbraw/zinc/92/07/49/1091920749.db2.gz JZIQFOULMSGCIZ-YVEFUNNKSA-N 1 3 339.430 2.462 10 0 EEAEHO CC(C)(C(=O)NCC1([NH2+]CCc2cccs2)CC1)N1CCCC1 ZINC001446223812 1092326586 /nfs/dbraw/zinc/32/65/86/1092326586.db2.gz MYLVPIIHBYXEBX-UHFFFAOYSA-N 1 3 335.517 2.403 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2cnc(C)s2)C1 ZINC001439899297 1092959749 /nfs/dbraw/zinc/95/97/49/1092959749.db2.gz CHPRZNZSJLNBJN-QGZVFWFLSA-N 1 3 338.521 2.122 10 0 EEAEHO Cc1cccnc1CN1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001440185803 1093245577 /nfs/dbraw/zinc/24/55/77/1093245577.db2.gz FHMFRFHYHLZXQE-RTBURBONSA-N 1 3 344.503 2.297 10 0 EEAEHO Cc1cncc(C[NH2+]C2(CNC(=O)CN3[C@H](C)CC[C@@H]3C)CCC2)c1 ZINC001440357325 1093514092 /nfs/dbraw/zinc/51/40/92/1093514092.db2.gz SCFOUWYDNCAFBY-CALCHBBNSA-N 1 3 344.503 2.391 10 0 EEAEHO Cc1cnc([C@H](C)N(C)C2CCN(C(=O)CCC[NH+](C)C)CC2)cn1 ZINC001448535425 1093572765 /nfs/dbraw/zinc/57/27/65/1093572765.db2.gz NTWCAUFNXFLRFM-INIZCTEOSA-N 1 3 347.507 2.111 10 0 EEAEHO Cc1nc(CNCC(C)(C)CN(C)C(=O)CC[NH+](C)C)c(C)s1 ZINC001440882341 1094140843 /nfs/dbraw/zinc/14/08/43/1094140843.db2.gz MQGYMKPUJBYVJH-UHFFFAOYSA-N 1 3 340.537 2.286 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CNCc2ccns2)C(C)(C)C)C1 ZINC001449320316 1094273707 /nfs/dbraw/zinc/27/37/07/1094273707.db2.gz BPXDSSUJNJFQDO-DZGCQCFKSA-N 1 3 338.521 2.105 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CNCc2ccns2)C(C)(C)C)C1 ZINC001449320316 1094273712 /nfs/dbraw/zinc/27/37/12/1094273712.db2.gz BPXDSSUJNJFQDO-DZGCQCFKSA-N 1 3 338.521 2.105 10 0 EEAEHO Cc1ccc(C)c(OCCN(C)[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001441011240 1094286436 /nfs/dbraw/zinc/28/64/36/1094286436.db2.gz LOJSBXUTHKFTIL-MSOLQXFVSA-N 1 3 347.503 2.070 10 0 EEAEHO Cc1ccc(C)c(OCCN(C)[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001441011240 1094286447 /nfs/dbraw/zinc/28/64/47/1094286447.db2.gz LOJSBXUTHKFTIL-MSOLQXFVSA-N 1 3 347.503 2.070 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@H]1CN(Cc2ccc3c(c2)CCC3)CC1(C)C ZINC001441256190 1094652714 /nfs/dbraw/zinc/65/27/14/1094652714.db2.gz NXPNXOWFEPKZAF-IBGZPJMESA-N 1 3 343.515 2.454 10 0 EEAEHO CC(C)(C(=O)NCC1[C@H]2CN(C/C=C\Cl)C[C@@H]12)[NH+]1CCCCC1 ZINC001441262504 1094669347 /nfs/dbraw/zinc/66/93/47/1094669347.db2.gz CTBYZHZXCLWKMG-IDJWZOPNSA-N 1 3 339.911 2.297 10 0 EEAEHO Cc1ccncc1CN1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001441473200 1095138470 /nfs/dbraw/zinc/13/84/70/1095138470.db2.gz JDVCIFUISOVXLV-IEBWSBKVSA-N 1 3 344.503 2.155 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001442056072 1096268795 /nfs/dbraw/zinc/26/87/95/1096268795.db2.gz ASQZMPFTVWPMOK-WBVHZDCISA-N 1 3 349.523 2.107 10 0 EEAEHO Cc1nocc1CNC1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001442263331 1096567278 /nfs/dbraw/zinc/56/72/78/1096567278.db2.gz XPEBWGHXQOTFFX-ABHNRTSZSA-N 1 3 348.491 2.182 10 0 EEAEHO Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001442913700 1097320569 /nfs/dbraw/zinc/32/05/69/1097320569.db2.gz YSCXFHNYBFNWEM-INIZCTEOSA-N 1 3 335.467 2.412 10 0 EEAEHO Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001442913700 1097320572 /nfs/dbraw/zinc/32/05/72/1097320572.db2.gz YSCXFHNYBFNWEM-INIZCTEOSA-N 1 3 335.467 2.412 10 0 EEAEHO CC(C)c1cccc(CNC[C@@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)n1 ZINC001444713770 1099574859 /nfs/dbraw/zinc/57/48/59/1099574859.db2.gz RYSSTTQHCABIQO-MRXNPFEDSA-N 1 3 344.503 2.237 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2OC2CC2)C1)N(C)C ZINC001480224028 1099842053 /nfs/dbraw/zinc/84/20/53/1099842053.db2.gz NBXUZDYBMBTKMS-JZXOWHBKSA-N 1 3 345.487 2.305 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]CCCCCF)CC2)C1 ZINC001480407653 1100222899 /nfs/dbraw/zinc/22/28/99/1100222899.db2.gz BKXITCVNUTYVFH-KLAILNCOSA-N 1 3 327.488 2.485 10 0 EEAEHO CN(CCF)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001496504274 1101100486 /nfs/dbraw/zinc/10/04/86/1101100486.db2.gz LBSLDRAQBCFHGT-UHFFFAOYSA-N 1 3 327.488 2.391 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](N[C@H](C)c2cnc(C)cn2)CC1 ZINC001495473364 1101184331 /nfs/dbraw/zinc/18/43/31/1101184331.db2.gz HRXAELBNSDBNQV-BRWVUGGUSA-N 1 3 347.507 2.205 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](N[C@H](C)c2cnc(C)cn2)CC1 ZINC001495473364 1101184334 /nfs/dbraw/zinc/18/43/34/1101184334.db2.gz HRXAELBNSDBNQV-BRWVUGGUSA-N 1 3 347.507 2.205 10 0 EEAEHO CC[C@H](F)CN1CCC(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001495517174 1101229981 /nfs/dbraw/zinc/22/99/81/1101229981.db2.gz JERAZYRROYCGHX-ZWKOTPCHSA-N 1 3 339.499 2.295 10 0 EEAEHO Cc1nc(CNC[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)c(C)o1 ZINC001447089744 1101968419 /nfs/dbraw/zinc/96/84/19/1101968419.db2.gz GIHZFVDLGAUCBX-WKILWMFISA-N 1 3 336.480 2.008 10 0 EEAEHO C[C@H](C[NH2+]CCOc1ccccc1)N(C)C(=O)CN1CCC(C)CC1 ZINC001496192362 1102197316 /nfs/dbraw/zinc/19/73/16/1102197316.db2.gz CBYHCFJGJNMMEO-GOSISDBHSA-N 1 3 347.503 2.234 10 0 EEAEHO CCN(CC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)[C@H](C(C)C)N(C)C ZINC001497486790 1102566718 /nfs/dbraw/zinc/56/67/18/1102566718.db2.gz UGKXNXWGJIXBIZ-CABCVRRESA-N 1 3 333.467 2.446 10 0 EEAEHO Cc1cncc(CNC/C=C\CNC(=O)CC[C@H]2CCC[N@H+]2C)c1 ZINC001497601956 1102731651 /nfs/dbraw/zinc/73/16/51/1102731651.db2.gz VARMBXXMVPXFRT-DDKKJVIOSA-N 1 3 330.476 2.026 10 0 EEAEHO Cc1cncc(CNC/C=C\CNC(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001497601956 1102731662 /nfs/dbraw/zinc/73/16/62/1102731662.db2.gz VARMBXXMVPXFRT-DDKKJVIOSA-N 1 3 330.476 2.026 10 0 EEAEHO Cc1ccc(F)cc1CNC/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001497675597 1102882970 /nfs/dbraw/zinc/88/29/70/1102882970.db2.gz RGYYLTVOCFFVPP-ABCZVMIZSA-N 1 3 333.451 2.238 10 0 EEAEHO Cc1ccc(F)cc1CNC/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001497675597 1102882972 /nfs/dbraw/zinc/88/29/72/1102882972.db2.gz RGYYLTVOCFFVPP-ABCZVMIZSA-N 1 3 333.451 2.238 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCCCOC)C1 ZINC001494178097 1103651546 /nfs/dbraw/zinc/65/15/46/1103651546.db2.gz GNYSCNBZTAXKCW-MSOLQXFVSA-N 1 3 339.524 2.068 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCCCOC)C1 ZINC001494178097 1103651553 /nfs/dbraw/zinc/65/15/53/1103651553.db2.gz GNYSCNBZTAXKCW-MSOLQXFVSA-N 1 3 339.524 2.068 10 0 EEAEHO CC[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]CC1CC(F)(F)C1 ZINC001494986376 1104630742 /nfs/dbraw/zinc/63/07/42/1104630742.db2.gz SQYPYOQFFYTGJL-LSDHHAIUSA-N 1 3 331.451 2.389 10 0 EEAEHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cn(C(C)C)nc1C ZINC001495058311 1104695335 /nfs/dbraw/zinc/69/53/35/1104695335.db2.gz NSRNLXTUACHTFB-YJBOKZPZSA-N 1 3 349.523 2.099 10 0 EEAEHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCCOc2ccccc2)C1)N(C)C ZINC001480623850 1106784641 /nfs/dbraw/zinc/78/46/41/1106784641.db2.gz RNYCYXNAZQZRRQ-PKOBYXMFSA-N 1 3 347.503 2.232 10 0 EEAEHO C[C@@H](CNCc1ccc(Br)s1)NC(=O)CC[NH+](C)C ZINC001498108186 1106932314 /nfs/dbraw/zinc/93/23/14/1106932314.db2.gz CGJPJQYAUPIZED-JTQLQIEISA-N 1 3 348.310 2.057 10 0 EEAEHO C[C@H](CCNC(=O)CC[NH+](C)C)NCc1nsc2ccccc12 ZINC001480790318 1107122165 /nfs/dbraw/zinc/12/21/65/1107122165.db2.gz NLXKFSKLJFAGKR-CYBMUJFWSA-N 1 3 334.489 2.232 10 0 EEAEHO CN(CCC[NH2+]CC[C@H]1CC1(Cl)Cl)C(=O)CN1CCCC1 ZINC001498654563 1107902197 /nfs/dbraw/zinc/90/21/97/1107902197.db2.gz BHLGLVUMZRUZSB-ZDUSSCGKSA-N 1 3 336.307 2.104 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC[C@@H]2CCCC2(F)F)CC1 ZINC001499429811 1112282901 /nfs/dbraw/zinc/28/29/01/1112282901.db2.gz BUJJOTCYFWONME-ZDUSSCGKSA-N 1 3 340.418 2.325 10 0 EEAEHO CC(C)OCCN(C)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001505434165 1113967981 /nfs/dbraw/zinc/96/79/81/1113967981.db2.gz MAKSYLYFULCXSE-MSOLQXFVSA-N 1 3 339.524 2.209 10 0 EEAEHO CC(C)OCCN(C)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001505434165 1113967982 /nfs/dbraw/zinc/96/79/82/1113967982.db2.gz MAKSYLYFULCXSE-MSOLQXFVSA-N 1 3 339.524 2.209 10 0 EEAEHO COc1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2(N(C)C)CCC2)ccc1C ZINC001505621012 1114089447 /nfs/dbraw/zinc/08/94/47/1114089447.db2.gz BRXUAAMXAVVNJT-CVEARBPZSA-N 1 3 347.503 2.471 10 0 EEAEHO CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001506899551 1114959240 /nfs/dbraw/zinc/95/92/40/1114959240.db2.gz XKTVTWSBRULFOQ-LUKYLMHMSA-N 1 3 327.488 2.482 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCc2cc(C)ns2)C[C@H]1C ZINC001507327083 1115194502 /nfs/dbraw/zinc/19/45/02/1115194502.db2.gz HVMXGNYMGQDONV-CABCVRRESA-N 1 3 338.521 2.262 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2cc(C)ns2)C[C@H]1C ZINC001507327083 1115194505 /nfs/dbraw/zinc/19/45/05/1115194505.db2.gz HVMXGNYMGQDONV-CABCVRRESA-N 1 3 338.521 2.262 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCOc2ccccc2)C(C)(C)C1 ZINC001507453138 1115278213 /nfs/dbraw/zinc/27/82/13/1115278213.db2.gz BARIOUSRCTYHPS-SFHVURJKSA-N 1 3 347.503 2.232 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCOc2ccccc2)C(C)(C)C1 ZINC001507453137 1115278383 /nfs/dbraw/zinc/27/83/83/1115278383.db2.gz BARIOUSRCTYHPS-GOSISDBHSA-N 1 3 347.503 2.232 10 0 EEAEHO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C)n2CCN2CC=CCC2)C1 ZINC001514617744 1118808260 /nfs/dbraw/zinc/80/82/60/1118808260.db2.gz QBEYHYBQDBHUDF-SFHVURJKSA-N 1 3 346.523 2.017 10 0 EEAEHO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C)n2CCN2CC=CCC2)C1 ZINC001514617744 1118808266 /nfs/dbraw/zinc/80/82/66/1118808266.db2.gz QBEYHYBQDBHUDF-SFHVURJKSA-N 1 3 346.523 2.017 10 0 EEAEHO Cc1noc(C)c1C[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC001568400456 1124469903 /nfs/dbraw/zinc/46/99/03/1124469903.db2.gz KPPONRFLDHZQDR-KRWDZBQOSA-N 1 3 348.491 2.248 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001568741519 1124755419 /nfs/dbraw/zinc/75/54/19/1124755419.db2.gz AOGZWCNFBMZZRQ-GOSISDBHSA-N 1 3 332.492 2.201 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001568741519 1124755427 /nfs/dbraw/zinc/75/54/27/1124755427.db2.gz AOGZWCNFBMZZRQ-GOSISDBHSA-N 1 3 332.492 2.201 10 0 EEAEHO CCOCCC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1CC ZINC001569338814 1125239727 /nfs/dbraw/zinc/23/97/27/1125239727.db2.gz REPBHOGYDXVASF-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO CNCc1cc(Br)cnc1OCC[C@@H]1CCC[N@@H+]1C ZINC000051549455 214097527 /nfs/dbraw/zinc/09/75/27/214097527.db2.gz KTGYWQDTENTQKY-ZDUSSCGKSA-N 1 3 328.254 2.427 10 0 EEAEHO CNCc1cc(Br)cnc1OCC[C@@H]1CCC[N@H+]1C ZINC000051549455 214097530 /nfs/dbraw/zinc/09/75/30/214097530.db2.gz KTGYWQDTENTQKY-ZDUSSCGKSA-N 1 3 328.254 2.427 10 0 EEAEHO CN(C)CCC[NH2+]CCN(C)Cc1cccc(Br)c1 ZINC000053437513 214182875 /nfs/dbraw/zinc/18/28/75/214182875.db2.gz IHOZDJFPDIONGW-UHFFFAOYSA-N 1 3 328.298 2.422 10 0 EEAEHO CN(CCNCCC[NH+](C)C)Cc1cccc(Br)c1 ZINC000053437513 214182879 /nfs/dbraw/zinc/18/28/79/214182879.db2.gz IHOZDJFPDIONGW-UHFFFAOYSA-N 1 3 328.298 2.422 10 0 EEAEHO C[C@H](NC(=O)N[C@H](Cc1ccccc1)CN(C)C)C(C)(C)C[NH+](C)C ZINC000085393893 299182431 /nfs/dbraw/zinc/18/24/31/299182431.db2.gz RUWNBTVDSITQQS-FUHWJXTLSA-N 1 3 348.535 2.435 10 0 EEAEHO Fc1ccc2c(c1Br)CC[C@@H]2NCCN1CC[NH2+]CC1 ZINC000423202446 283009237 /nfs/dbraw/zinc/00/92/37/283009237.db2.gz KTCBKSRGCYJLNM-AWEZNQCLSA-N 1 3 342.256 2.070 10 0 EEAEHO COC[C@H](CCC[NH3+])NCc1cc2c(c(Br)c1)OCO2 ZINC000422973860 240314651 /nfs/dbraw/zinc/31/46/51/240314651.db2.gz PSZCDJLUHJHWAW-NSHDSACASA-N 1 3 345.237 2.021 10 0 EEAEHO CCOC(=O)C1([C@H](C)N[C@H](CO)c2sccc2C)CC[NH2+]CC1 ZINC000422988953 240317732 /nfs/dbraw/zinc/31/77/32/240317732.db2.gz JZVYBZGPEVJJFZ-UONOGXRCSA-N 1 3 340.489 2.001 10 0 EEAEHO C[C@@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)c1cc2n(n1)CCC2 ZINC000414094573 296118623 /nfs/dbraw/zinc/11/86/23/296118623.db2.gz GJVIZNMISGPNON-QGZVFWFLSA-N 1 3 345.535 2.430 10 0 EEAEHO C[C@@H](NCC1(N2CCCCC2)CC[NH+](C)CC1)c1cc2n(n1)CCC2 ZINC000414094573 296118624 /nfs/dbraw/zinc/11/86/24/296118624.db2.gz GJVIZNMISGPNON-QGZVFWFLSA-N 1 3 345.535 2.430 10 0 EEAEHO c1nc2n(n1)C[C@@H](N[C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000249036276 160371442 /nfs/dbraw/zinc/37/14/42/160371442.db2.gz SRWATTIZCCMJCQ-OKYOBFRVSA-N 1 3 337.471 2.378 10 0 EEAEHO c1nc2n(n1)C[C@@H](N[C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000249036276 160371444 /nfs/dbraw/zinc/37/14/44/160371444.db2.gz SRWATTIZCCMJCQ-OKYOBFRVSA-N 1 3 337.471 2.378 10 0 EEAEHO COc1c(C)cc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)cc1C ZINC000092615642 159224217 /nfs/dbraw/zinc/22/42/17/159224217.db2.gz ADYMOVKILKZGIL-UHFFFAOYSA-N 1 3 347.503 2.202 10 0 EEAEHO CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245627494 160245268 /nfs/dbraw/zinc/24/52/68/160245268.db2.gz GVVUYEQVZYCKED-MOPGFXCFSA-N 1 3 344.503 2.415 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)NCCCN2CCc3ccccc3C2)CC[N@@H+]1C ZINC000344220061 161208233 /nfs/dbraw/zinc/20/82/33/161208233.db2.gz HEGACDCBJRVQMV-WMZOPIPTSA-N 1 3 329.488 2.281 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)NCCCN2CCc3ccccc3C2)CC[N@H+]1C ZINC000344220061 161208234 /nfs/dbraw/zinc/20/82/34/161208234.db2.gz HEGACDCBJRVQMV-WMZOPIPTSA-N 1 3 329.488 2.281 10 0 EEAEHO CN(CCCN1CCN(c2ccccc2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000352030866 162038141 /nfs/dbraw/zinc/03/81/41/162038141.db2.gz XVFXWEVDFWWFAN-NRFANRHFSA-N 1 3 342.531 2.367 10 0 EEAEHO CN(CCCN1CCN(c2ccccc2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000352030866 162038142 /nfs/dbraw/zinc/03/81/42/162038142.db2.gz XVFXWEVDFWWFAN-NRFANRHFSA-N 1 3 342.531 2.367 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+]2C[C@@H](CC)[C@H](O)C2)CC1 ZINC000355197119 163108377 /nfs/dbraw/zinc/10/83/77/163108377.db2.gz LABRFKUIAXQLTD-YLJYHZDGSA-N 1 3 331.504 2.421 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+]2C[C@@H](CC)[C@H](O)C2)CC1 ZINC000355197119 163108379 /nfs/dbraw/zinc/10/83/79/163108379.db2.gz LABRFKUIAXQLTD-YLJYHZDGSA-N 1 3 331.504 2.421 10 0 EEAEHO C[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccnc1 ZINC000359930289 164198266 /nfs/dbraw/zinc/19/82/66/164198266.db2.gz CEDSXJSAECTAHE-MRXNPFEDSA-N 1 3 344.503 2.250 10 0 EEAEHO CCO[C@H]1C[C@H]([NH2+]CC(=O)NC2CCN(C3CC3)CC2)C12CCCC2 ZINC000450970025 276490219 /nfs/dbraw/zinc/49/02/19/276490219.db2.gz MFQDZYJVZRZWCH-ROUUACIJSA-N 1 3 349.519 2.057 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)NC[C@@H](C)[N@H+](C)C3CC3)cc2)CC1 ZINC000175965361 279373582 /nfs/dbraw/zinc/37/35/82/279373582.db2.gz JUFPAQSKJBMOAE-MRXNPFEDSA-N 1 3 344.503 2.041 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)cc2)CC1 ZINC000175965361 279373584 /nfs/dbraw/zinc/37/35/84/279373584.db2.gz JUFPAQSKJBMOAE-MRXNPFEDSA-N 1 3 344.503 2.041 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1ccsc1 ZINC000417008627 313392515 /nfs/dbraw/zinc/39/25/15/313392515.db2.gz MFCHNJYJFMRRDW-CWRNSKLLSA-N 1 3 338.521 2.428 10 0 EEAEHO C[C@@H](CCNC(=O)NCCCNCc1cccnc1)[NH+]1CCCCC1 ZINC000418023852 313691379 /nfs/dbraw/zinc/69/13/79/313691379.db2.gz SIODFKHLPWFXPX-KRWDZBQOSA-N 1 3 347.507 2.125 10 0 EEAEHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000418610706 313860223 /nfs/dbraw/zinc/86/02/23/313860223.db2.gz GHGUGWDPBNFWDG-QFBILLFUSA-N 1 3 344.503 2.290 10 0 EEAEHO [NH3+]CCC[C@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccccc1 ZINC000418644839 313868717 /nfs/dbraw/zinc/86/87/17/313868717.db2.gz CQBHNJNREDMVRK-MSOLQXFVSA-N 1 3 328.460 2.122 10 0 EEAEHO NC[C@@H](C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)c1ccccc1 ZINC000579228981 323805744 /nfs/dbraw/zinc/80/57/44/323805744.db2.gz UKLLURXFZKPQRB-QRVBRYPASA-N 1 3 341.430 2.211 10 0 EEAEHO CNC(=O)[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)Cc1ccc(F)cc1C ZINC000580952205 324157608 /nfs/dbraw/zinc/15/76/08/324157608.db2.gz NRZICTZXMKIVMU-RPVQJOFSSA-N 1 3 335.467 2.017 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)CC1 ZINC000114170635 462630214 /nfs/dbraw/zinc/63/02/14/462630214.db2.gz GNUHVNYURHYMNW-UHFFFAOYSA-N 1 3 344.503 2.044 10 0 EEAEHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCCN(C)C1 ZINC000052523474 463085504 /nfs/dbraw/zinc/08/55/04/463085504.db2.gz UCYASJPLNOBTPN-SFHVURJKSA-N 1 3 332.492 2.420 10 0 EEAEHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCCN(C)C1 ZINC000052523474 463085509 /nfs/dbraw/zinc/08/55/09/463085509.db2.gz UCYASJPLNOBTPN-SFHVURJKSA-N 1 3 332.492 2.420 10 0 EEAEHO CCOCCN1CCN(CC[N@H+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000159342873 463282116 /nfs/dbraw/zinc/28/21/16/463282116.db2.gz KZAQHYWXPGCATR-KRWDZBQOSA-N 1 3 337.483 2.300 10 0 EEAEHO CCOCCN1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000159342873 463282120 /nfs/dbraw/zinc/28/21/20/463282120.db2.gz KZAQHYWXPGCATR-KRWDZBQOSA-N 1 3 337.483 2.300 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1(N)CCOCC1 ZINC000261767975 463854110 /nfs/dbraw/zinc/85/41/10/463854110.db2.gz GLHRAHJDECUDAT-MRXNPFEDSA-N 1 3 345.487 2.185 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(N)CCOCC1 ZINC000261767975 463854112 /nfs/dbraw/zinc/85/41/12/463854112.db2.gz GLHRAHJDECUDAT-MRXNPFEDSA-N 1 3 345.487 2.185 10 0 EEAEHO Clc1ccc(OCCN2CCN(CC3CC[NH2+]CC3)CC2)cc1 ZINC000178977887 464029172 /nfs/dbraw/zinc/02/91/72/464029172.db2.gz PBVFMKCHZYAAKP-UHFFFAOYSA-N 1 3 337.895 2.336 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)c3cc[nH]c3C3CC3)CC2)CC1 ZINC000283937145 464049289 /nfs/dbraw/zinc/04/92/89/464049289.db2.gz MQGSOFNCUXAQEN-UHFFFAOYSA-N 1 3 330.476 2.181 10 0 EEAEHO C[C@@H](CC(=O)N[C@@H](Cc1ccccc1)CN(C)C)C1CC[NH2+]CC1 ZINC000237535478 464335920 /nfs/dbraw/zinc/33/59/20/464335920.db2.gz ITWJQJYUWDVEIM-LPHOPBHVSA-N 1 3 331.504 2.301 10 0 EEAEHO C[C@H]1C[C@H](N(C)C(=O)NCCN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000174267227 464385957 /nfs/dbraw/zinc/38/59/57/464385957.db2.gz SYZPYQUFMWIOQB-FUHWJXTLSA-N 1 3 332.492 2.243 10 0 EEAEHO C[C@H]1C[C@H](N(C)C(=O)NCCN(C)Cc2ccccc2)CC[N@H+]1C ZINC000174267227 464385960 /nfs/dbraw/zinc/38/59/60/464385960.db2.gz SYZPYQUFMWIOQB-FUHWJXTLSA-N 1 3 332.492 2.243 10 0 EEAEHO CC[N@@H+]1CC[C@@H](N(C)CCc2c(C)nc3sccn3c2=O)[C@@H](C)C1 ZINC000285502248 464587706 /nfs/dbraw/zinc/58/77/06/464587706.db2.gz FEYZLXPGZICCGN-XJKSGUPXSA-N 1 3 348.516 2.269 10 0 EEAEHO CC[N@H+]1CC[C@@H](N(C)CCc2c(C)nc3sccn3c2=O)[C@@H](C)C1 ZINC000285502248 464587710 /nfs/dbraw/zinc/58/77/10/464587710.db2.gz FEYZLXPGZICCGN-XJKSGUPXSA-N 1 3 348.516 2.269 10 0 EEAEHO Cn1c(Cl)cnc1CNCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000366930887 466022656 /nfs/dbraw/zinc/02/26/56/466022656.db2.gz WGBJNQFAOVWWDI-UHFFFAOYSA-N 1 3 339.915 2.113 10 0 EEAEHO Cn1c(Cl)cnc1CNCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000366930887 466022663 /nfs/dbraw/zinc/02/26/63/466022663.db2.gz WGBJNQFAOVWWDI-UHFFFAOYSA-N 1 3 339.915 2.113 10 0 EEAEHO CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCN(C2CC2)C1 ZINC000361851499 466349079 /nfs/dbraw/zinc/34/90/79/466349079.db2.gz WRVWQXGMQPANRF-SFHVURJKSA-N 1 3 334.508 2.272 10 0 EEAEHO CC1=CCN(CCNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000358181225 466519620 /nfs/dbraw/zinc/51/96/20/466519620.db2.gz CKRQHXKYQIDKAN-SFHVURJKSA-N 1 3 330.476 2.241 10 0 EEAEHO C[C@@H]1CCCCN1CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411421788 466825156 /nfs/dbraw/zinc/82/51/56/466825156.db2.gz WECIOGRGGVFJGO-NVXWUHKLSA-N 1 3 339.549 2.195 10 0 EEAEHO N[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000417792485 466936711 /nfs/dbraw/zinc/93/67/11/466936711.db2.gz KOAOOJFNTUHWFS-ROUUACIJSA-N 1 3 330.476 2.250 10 0 EEAEHO N[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000417792485 466936714 /nfs/dbraw/zinc/93/67/14/466936714.db2.gz KOAOOJFNTUHWFS-ROUUACIJSA-N 1 3 330.476 2.250 10 0 EEAEHO CN(Cc1ccc2c[nH]nc2c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377625614 467099033 /nfs/dbraw/zinc/09/90/33/467099033.db2.gz LDPXKHDFRGKAHS-SFHVURJKSA-N 1 3 327.476 2.163 10 0 EEAEHO CN(Cc1ccc2c[nH]nc2c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377625614 467099037 /nfs/dbraw/zinc/09/90/37/467099037.db2.gz LDPXKHDFRGKAHS-SFHVURJKSA-N 1 3 327.476 2.163 10 0 EEAEHO C[C@H]1CN(CCCNC(=O)C2(C[NH+](C)C)CCCCC2)CCCO1 ZINC000427430520 467157885 /nfs/dbraw/zinc/15/78/85/467157885.db2.gz CKEDRRPLVXXSOA-KRWDZBQOSA-N 1 3 339.524 2.116 10 0 EEAEHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000414690242 467429411 /nfs/dbraw/zinc/42/94/11/467429411.db2.gz HLYSPYIRNIBPLJ-HOCLYGCPSA-N 1 3 335.879 2.327 10 0 EEAEHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000414690242 467429414 /nfs/dbraw/zinc/42/94/14/467429414.db2.gz HLYSPYIRNIBPLJ-HOCLYGCPSA-N 1 3 335.879 2.327 10 0 EEAEHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)C1 ZINC000414707470 467430682 /nfs/dbraw/zinc/43/06/82/467430682.db2.gz PQJYBWLZFBCDPO-FUHWJXTLSA-N 1 3 333.451 2.030 10 0 EEAEHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)C1 ZINC000414707470 467430687 /nfs/dbraw/zinc/43/06/87/467430687.db2.gz PQJYBWLZFBCDPO-FUHWJXTLSA-N 1 3 333.451 2.030 10 0 EEAEHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@H]1CCNC[C@H]1C ZINC000414946593 467456741 /nfs/dbraw/zinc/45/67/41/467456741.db2.gz UEHGHPXHVOIXQF-RISCZKNCSA-N 1 3 332.400 2.316 10 0 EEAEHO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528716732 467736227 /nfs/dbraw/zinc/73/62/27/467736227.db2.gz WFHIPJOKDFZIRH-AWEZNQCLSA-N 1 3 332.448 2.165 10 0 EEAEHO C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528716732 467736231 /nfs/dbraw/zinc/73/62/31/467736231.db2.gz WFHIPJOKDFZIRH-AWEZNQCLSA-N 1 3 332.448 2.165 10 0 EEAEHO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCN(CC2CCCCC2)CC1 ZINC000529353791 467851399 /nfs/dbraw/zinc/85/13/99/467851399.db2.gz ARLPTADJNRJURF-KRWDZBQOSA-N 1 3 334.508 2.179 10 0 EEAEHO CN1CC[C@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)[C@@H]1c1ccccc1 ZINC000515223333 467980925 /nfs/dbraw/zinc/98/09/25/467980925.db2.gz NVSYBGRXEGQBRC-CAMMJAKZSA-N 1 3 344.503 2.496 10 0 EEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])[C@@H]1c1ccccc1 ZINC000571538479 468804142 /nfs/dbraw/zinc/80/41/42/468804142.db2.gz AGBUPHBVDQSXAG-BDXSIMOUSA-N 1 3 330.476 2.249 10 0 EEAEHO CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@H+](CCCN1CCCCC1)C2 ZINC000595723905 468970305 /nfs/dbraw/zinc/97/03/05/468970305.db2.gz USUDZRVKWHITDZ-VQIMIIECSA-N 1 3 338.492 2.153 10 0 EEAEHO CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@@H+](CCCN1CCCCC1)C2 ZINC000595723905 468970308 /nfs/dbraw/zinc/97/03/08/468970308.db2.gz USUDZRVKWHITDZ-VQIMIIECSA-N 1 3 338.492 2.153 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]CCc2cncn2C)CC1 ZINC000623086238 469546386 /nfs/dbraw/zinc/54/63/86/469546386.db2.gz DKLRGNVXWWMMHS-UHFFFAOYSA-N 1 3 341.503 2.284 10 0 EEAEHO Cc1cccc(C)c1NCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505696 469703954 /nfs/dbraw/zinc/70/39/54/469703954.db2.gz MWXISLVGFCXRHY-KRWDZBQOSA-N 1 3 334.508 2.104 10 0 EEAEHO Cc1cccc(C)c1NCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505696 469703957 /nfs/dbraw/zinc/70/39/57/469703957.db2.gz MWXISLVGFCXRHY-KRWDZBQOSA-N 1 3 334.508 2.104 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc2ccccc2c1 ZINC000617508065 469708174 /nfs/dbraw/zinc/70/81/74/469708174.db2.gz TVALLGDLBQGPGI-HNNXBMFYSA-N 1 3 328.460 2.237 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc2ccccc2c1 ZINC000617508065 469708176 /nfs/dbraw/zinc/70/81/76/469708176.db2.gz TVALLGDLBQGPGI-HNNXBMFYSA-N 1 3 328.460 2.237 10 0 EEAEHO C[C@@H](CNC(=O)NC[C@@H]1CCN1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000623721013 469744796 /nfs/dbraw/zinc/74/47/96/469744796.db2.gz FCBBCLKLLJDRNF-WMZOPIPTSA-N 1 3 336.524 2.423 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000626934383 469760663 /nfs/dbraw/zinc/76/06/63/469760663.db2.gz FUWJRLWRESFGSX-RCCFBDPRSA-N 1 3 330.476 2.263 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CCN1Cc1ccccc1 ZINC000627039034 469798609 /nfs/dbraw/zinc/79/86/09/469798609.db2.gz QZNYISDDPHANBN-XYVMCAHJSA-N 1 3 330.476 2.089 10 0 EEAEHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627133787 469820697 /nfs/dbraw/zinc/82/06/97/469820697.db2.gz SGNFUYMOXOGPJB-QGZVFWFLSA-N 1 3 348.466 2.184 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccncc1 ZINC000630880911 470019600 /nfs/dbraw/zinc/01/96/00/470019600.db2.gz WIYZHZIYZZAZNR-FUHWJXTLSA-N 1 3 332.492 2.060 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccncc1 ZINC000630880911 470019602 /nfs/dbraw/zinc/01/96/02/470019602.db2.gz WIYZHZIYZZAZNR-FUHWJXTLSA-N 1 3 332.492 2.060 10 0 EEAEHO C[C@](O)(C[C@H](O)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CC1 ZINC000634702402 470281600 /nfs/dbraw/zinc/28/16/00/470281600.db2.gz GOYJUYQOZPCWLP-JBACZVJFSA-N 1 3 346.515 2.053 10 0 EEAEHO C[C@](O)(C[C@H](O)CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000634702402 470281602 /nfs/dbraw/zinc/28/16/02/470281602.db2.gz GOYJUYQOZPCWLP-JBACZVJFSA-N 1 3 346.515 2.053 10 0 EEAEHO C[C@](O)(C[C@H](O)CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000634702402 470281604 /nfs/dbraw/zinc/28/16/04/470281604.db2.gz GOYJUYQOZPCWLP-JBACZVJFSA-N 1 3 346.515 2.053 10 0 EEAEHO c1cc(N2CCNCC2)cc(N[C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)[nH+]1 ZINC000635011382 470400363 /nfs/dbraw/zinc/40/03/63/470400363.db2.gz ZQJBAJIHZQRROP-BRWVUGGUSA-N 1 3 330.476 2.498 10 0 EEAEHO CC1(OCC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CNC1 ZINC000649312701 470542018 /nfs/dbraw/zinc/54/20/18/470542018.db2.gz LDWLQEMNHHJGFF-UHFFFAOYSA-N 1 3 345.487 2.057 10 0 EEAEHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000649342743 470552005 /nfs/dbraw/zinc/55/20/05/470552005.db2.gz MHZLUOQJDJSBID-ROUUACIJSA-N 1 3 329.488 2.498 10 0 EEAEHO Cn1ncc(C2CCC2)c1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000657337918 471102399 /nfs/dbraw/zinc/10/23/99/471102399.db2.gz LYZARBOXGHCPDT-UHFFFAOYSA-N 1 3 345.535 2.336 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C)[C@H](F)C3)CC2)CC1 ZINC000654986859 471242833 /nfs/dbraw/zinc/24/28/33/471242833.db2.gz ZHXKWISWXIVQGB-MAUKXSAKSA-N 1 3 339.499 2.389 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(CC4(F)F)C3)CC2)CC1 ZINC000655183298 471278325 /nfs/dbraw/zinc/27/83/25/471278325.db2.gz SSNWKEQMGNQHLH-UHFFFAOYSA-N 1 3 341.446 2.050 10 0 EEAEHO C(C1CC1)[NH+]1CCC(N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CC1 ZINC000658291691 471285689 /nfs/dbraw/zinc/28/56/89/471285689.db2.gz UHTZFDRYFGRCHD-RTBURBONSA-N 1 3 333.520 2.094 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659029279 471473570 /nfs/dbraw/zinc/47/35/70/471473570.db2.gz BBRVIYYHWZQDMO-QAPCUYQASA-N 1 3 346.475 2.343 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659029279 471473573 /nfs/dbraw/zinc/47/35/73/471473573.db2.gz BBRVIYYHWZQDMO-QAPCUYQASA-N 1 3 346.475 2.343 10 0 EEAEHO CCC[NH+]1CCC(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659034567 471477957 /nfs/dbraw/zinc/47/79/57/471477957.db2.gz OHZYZRNWSZNDCJ-SFHVURJKSA-N 1 3 346.475 2.343 10 0 EEAEHO O[C@@H]1CCN(C/C=C\C[N@@H+]2CC[C@@H](O)CC23CCC3)C2(CCC2)C1 ZINC000660835527 471507105 /nfs/dbraw/zinc/50/71/05/471507105.db2.gz LVKMFSOQNJTBIW-FKAFAWJWSA-N 1 3 334.504 2.301 10 0 EEAEHO O[C@@H]1CCN(C/C=C\C[N@H+]2CC[C@@H](O)CC23CCC3)C2(CCC2)C1 ZINC000660835527 471507108 /nfs/dbraw/zinc/50/71/08/471507108.db2.gz LVKMFSOQNJTBIW-FKAFAWJWSA-N 1 3 334.504 2.301 10 0 EEAEHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F)N(C)C ZINC000655927863 471544921 /nfs/dbraw/zinc/54/49/21/471544921.db2.gz IWDUORXHBLMFLD-XBFCOCLRSA-N 1 3 346.397 2.175 10 0 EEAEHO C[C@@]1(CNC(=O)N[C@@H]2CCC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000669565861 471560013 /nfs/dbraw/zinc/56/00/13/471560013.db2.gz NRLACICLDCIETI-QUCCMNQESA-N 1 3 344.503 2.482 10 0 EEAEHO CCN(CC)[C@@H](CNC(=O)N1CC2CC1(C[NH3+])C2)c1ccccc1 ZINC000659428224 471621138 /nfs/dbraw/zinc/62/11/38/471621138.db2.gz YRHNTZBGJZHASR-RMXPPQQLSA-N 1 3 330.476 2.202 10 0 EEAEHO CN(Cc1ccccc1)C1(CNC(=O)NCC23CC(C2)C[NH2+]3)CCC1 ZINC000659500400 471658745 /nfs/dbraw/zinc/65/87/45/471658745.db2.gz UZQZAEBDOSSJHG-UHFFFAOYSA-N 1 3 342.487 2.092 10 0 EEAEHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000661396805 471741241 /nfs/dbraw/zinc/74/12/41/471741241.db2.gz MHIYRRJLPDOXFP-IRXDYDNUSA-N 1 3 332.492 2.461 10 0 EEAEHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000661396805 471741245 /nfs/dbraw/zinc/74/12/45/471741245.db2.gz MHIYRRJLPDOXFP-IRXDYDNUSA-N 1 3 332.492 2.461 10 0 EEAEHO C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@@H]3CCN3C(C)(C)C)C2)CC1 ZINC000661403399 471744595 /nfs/dbraw/zinc/74/45/95/471744595.db2.gz LAQYBNINBFYJFI-SJORKVTESA-N 1 3 336.524 2.233 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654396723 471942517 /nfs/dbraw/zinc/94/25/17/471942517.db2.gz LBHPFRVACJOUMX-RWQQGDIJSA-N 1 3 344.503 2.461 10 0 EEAEHO c1cc2c(cc1[C@@H]1CCCN1C[C@@H]1CCC3(C[NH2+]C3)O1)OCCO2 ZINC000662248824 472041270 /nfs/dbraw/zinc/04/12/70/472041270.db2.gz JZTZYWSSALFZBK-HOTGVXAUSA-N 1 3 330.428 2.116 10 0 EEAEHO CCN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CCN(C)C1 ZINC000665601738 472106920 /nfs/dbraw/zinc/10/69/20/472106920.db2.gz DIEGTQAAKIAQGB-INIZCTEOSA-N 1 3 334.464 2.185 10 0 EEAEHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1(NC2CC2)CCC1 ZINC000662700248 472214510 /nfs/dbraw/zinc/21/45/10/472214510.db2.gz GURSLZUSYYVHDZ-GOSISDBHSA-N 1 3 341.499 2.342 10 0 EEAEHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1(NC2CC2)CCC1 ZINC000662700248 472214514 /nfs/dbraw/zinc/21/45/14/472214514.db2.gz GURSLZUSYYVHDZ-GOSISDBHSA-N 1 3 341.499 2.342 10 0 EEAEHO CSc1ccc([C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)N(C)C)cc1 ZINC000583094876 485579910 /nfs/dbraw/zinc/57/99/10/485579910.db2.gz XRAQKNMIPDEOKK-WMLDXEAASA-N 1 3 335.517 2.469 10 0 EEAEHO CSc1ccc([C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)N(C)C)cc1 ZINC000583094876 485579916 /nfs/dbraw/zinc/57/99/16/485579916.db2.gz XRAQKNMIPDEOKK-WMLDXEAASA-N 1 3 335.517 2.469 10 0 EEAEHO CN1CC[C@@H](NC(=S)NCC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000760500030 577664207 /nfs/dbraw/zinc/66/42/07/577664207.db2.gz PLKBPULWWHFBKE-MSOLQXFVSA-N 1 3 346.544 2.238 10 0 EEAEHO Cc1ccnc(N)c1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000895250810 684386196 /nfs/dbraw/zinc/38/61/96/684386196.db2.gz CPLOEGRRVFXZIT-UHFFFAOYSA-N 1 3 325.460 2.369 10 0 EEAEHO CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@H](CNCc1ccccn1)C1CC1 ZINC001485813839 1191978044 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CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CCOc2ccccc2)C1)N(C)C ZINC001266793209 1177436714 /nfs/dbraw/zinc/43/67/14/1177436714.db2.gz JBFXBAQFRYSNEH-IEBWSBKVSA-N 1 3 347.503 2.234 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CCC(F)(F)F)C2)C1 ZINC001266807396 1177464565 /nfs/dbraw/zinc/46/45/65/1177464565.db2.gz KIZJYUDILIOCPO-UONOGXRCSA-N 1 3 335.414 2.109 10 0 EEAEHO CCCN(CCNC(=O)C12CC[NH+](CC1)C2)Cc1csc(C)c1 ZINC001481151427 1179930238 /nfs/dbraw/zinc/93/02/38/1179930238.db2.gz FZKJGJUVZYPMMA-UHFFFAOYSA-N 1 3 335.517 2.481 10 0 EEAEHO Cc1ncsc1C[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)C(C)C ZINC001481347032 1181085139 /nfs/dbraw/zinc/08/51/39/1181085139.db2.gz FKVVQRXRNLYAAO-HNNXBMFYSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1ncsc1C[N@H+](CCCNC(=O)[C@@H]1CCCN1C)C(C)C ZINC001481347032 1181085144 /nfs/dbraw/zinc/08/51/44/1181085144.db2.gz FKVVQRXRNLYAAO-HNNXBMFYSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1cccc(OCC[NH2+]C[C@@H](C)N(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001268084597 1181702126 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CN(CC(=O)N[C@](C)(C[NH2+]Cc1cncc(F)c1)C1CC1)C1CCC1 ZINC001481932474 1182972190 /nfs/dbraw/zinc/97/21/90/1182972190.db2.gz RBGCQFAWDQEQHO-LJQANCHMSA-N 1 3 348.466 2.080 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]C[C@H](OC)C1CCCC1)N(C)C ZINC001482063085 1183277950 /nfs/dbraw/zinc/27/79/50/1183277950.db2.gz VRIMHLWKKWPOEA-SQNIBIBYSA-N 1 3 339.524 2.112 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC/C=C/CNCc2ccc(F)c(F)c2)C1 ZINC001268614799 1183531508 /nfs/dbraw/zinc/53/15/08/1183531508.db2.gz YRZOMHMWWYZOJX-XYBNCVKDSA-N 1 3 337.414 2.069 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC/C=C/CNCc2ccc(F)c(F)c2)C1 ZINC001268614799 1183531512 /nfs/dbraw/zinc/53/15/12/1183531512.db2.gz YRZOMHMWWYZOJX-XYBNCVKDSA-N 1 3 337.414 2.069 10 0 EEAEHO CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CCN(CCCCCF)C1 ZINC001269250790 1184102585 /nfs/dbraw/zinc/10/25/85/1184102585.db2.gz IMQZSCHBYCBIFH-INIZCTEOSA-N 1 3 325.472 2.287 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC(CC[NH2+]CCc2cccs2)CC1 ZINC001269912853 1184711812 /nfs/dbraw/zinc/71/18/12/1184711812.db2.gz AIECNLPJUBCYQC-UHFFFAOYSA-N 1 3 346.500 2.475 10 0 EEAEHO CCc1ccccc1CC[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001271206481 1186081798 /nfs/dbraw/zinc/08/17/98/1186081798.db2.gz FZWJEOPHUCAFLP-QGZVFWFLSA-N 1 3 331.504 2.324 10 0 EEAEHO C[NH+]1CCC(CC(=O)N[C@H](CNCCF)C2CCCCC2)CC1 ZINC001271346261 1186152166 /nfs/dbraw/zinc/15/21/66/1186152166.db2.gz BPHHUMPZYBCOKB-QGZVFWFLSA-N 1 3 327.488 2.343 10 0 EEAEHO CN(CC[N@H+](C)C[C@H]1CCc2ccccc2C1)C(=O)CN1CCCC1 ZINC001482648959 1187480038 /nfs/dbraw/zinc/48/00/38/1187480038.db2.gz CPQXUSSAGYCGKS-SFHVURJKSA-N 1 3 343.515 2.278 10 0 EEAEHO CN(CC[N@@H+](C)C[C@H]1CCc2ccccc2C1)C(=O)CN1CCCC1 ZINC001482648959 1187480040 /nfs/dbraw/zinc/48/00/40/1187480040.db2.gz CPQXUSSAGYCGKS-SFHVURJKSA-N 1 3 343.515 2.278 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)C[C@H](OC)C1CCC1 ZINC001482651636 1187487397 /nfs/dbraw/zinc/48/73/97/1187487397.db2.gz HKAGCMAQNOMEPT-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)C[C@H](OC)C1CCC1 ZINC001482651636 1187487399 /nfs/dbraw/zinc/48/73/99/1187487399.db2.gz HKAGCMAQNOMEPT-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C[NH2+]C/C=C\Cl ZINC001279150579 1187569918 /nfs/dbraw/zinc/56/99/18/1187569918.db2.gz VYXVMULZKXVULY-WJNHHXLDSA-N 1 3 329.916 2.401 10 0 EEAEHO C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)CN(C)C1CCC1 ZINC001482840124 1187759222 /nfs/dbraw/zinc/75/92/22/1187759222.db2.gz RHWIVJIZPUUDSD-CYBMUJFWSA-N 1 3 339.430 2.434 10 0 EEAEHO COCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)N(C)C ZINC001670939491 1193529938 /nfs/dbraw/zinc/52/99/38/1193529938.db2.gz HAQAWZZJSCWZSX-FBVQUNGASA-N 1 3 339.524 2.111 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001483096834 1188471174 /nfs/dbraw/zinc/47/11/74/1188471174.db2.gz FKHQOZSGISZZJM-KSLSASGISA-N 1 3 330.476 2.025 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001483188712 1189060673 /nfs/dbraw/zinc/06/06/73/1189060673.db2.gz SPDIAFZYGBJAIO-GDBMZVCRSA-N 1 3 340.471 2.160 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCCC1(F)F)N(C)C ZINC001483263596 1190288301 /nfs/dbraw/zinc/28/83/01/1190288301.db2.gz XBKQXTSIFQLXMW-SOUVJXGZSA-N 1 3 333.467 2.492 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)CCCN[C@@H](C)c2cnc(C)cn2)CC[N@@H+]1C ZINC001483468056 1190492348 /nfs/dbraw/zinc/49/23/48/1190492348.db2.gz YAOIDISVZFJEIC-XYJFISCASA-N 1 3 347.507 2.014 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)CCCN[C@@H](C)c2cnc(C)cn2)CC[N@H+]1C ZINC001483468056 1190492352 /nfs/dbraw/zinc/49/23/52/1190492352.db2.gz YAOIDISVZFJEIC-XYJFISCASA-N 1 3 347.507 2.014 10 0 EEAEHO CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1cc(C2CC2)no1 ZINC001483620768 1190602838 /nfs/dbraw/zinc/60/28/38/1190602838.db2.gz MIFOMBUMCMUSMD-WMLDXEAASA-N 1 3 348.491 2.220 10 0 EEAEHO Cc1cc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cs1 ZINC001272523105 1190866127 /nfs/dbraw/zinc/86/61/27/1190866127.db2.gz BWBXJFCQLYDPGH-DOTOQJQBSA-N 1 3 335.517 2.479 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N(CCO)CC[NH2+]CCC(C)(C)C ZINC001484495484 1191383814 /nfs/dbraw/zinc/38/38/14/1191383814.db2.gz NLXMHLIPDXSSRE-QGZVFWFLSA-N 1 3 341.540 2.096 10 0 EEAEHO Cc1ccccc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001484533545 1191401881 /nfs/dbraw/zinc/40/18/81/1191401881.db2.gz UMALTWASRQWWDB-IEBWSBKVSA-N 1 3 329.488 2.417 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCc1ccc(Cl)nc1 ZINC001485206252 1191693219 /nfs/dbraw/zinc/69/32/19/1191693219.db2.gz IIPSJCHKAVOTIG-QWHCGFSZSA-N 1 3 326.872 2.060 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCc1ccc(Cl)nc1 ZINC001485206252 1191693221 /nfs/dbraw/zinc/69/32/21/1191693221.db2.gz IIPSJCHKAVOTIG-QWHCGFSZSA-N 1 3 326.872 2.060 10 0 EEAEHO Cc1ncsc1CN[C@@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001485230544 1191699385 /nfs/dbraw/zinc/69/93/85/1191699385.db2.gz VRYRAHMZHLJXFZ-UONOGXRCSA-N 1 3 338.521 2.310 10 0 EEAEHO CN(CC(C)(C)C[NH2+]Cc1cncs1)C(=O)CN(C)C1CCC1 ZINC001485254208 1191705026 /nfs/dbraw/zinc/70/50/26/1191705026.db2.gz PJLYPTNPSUORDA-UHFFFAOYSA-N 1 3 338.521 2.202 10 0 EEAEHO CCOCCC[N@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001485349405 1191750110 /nfs/dbraw/zinc/75/01/10/1191750110.db2.gz FRYSGDIQRJQQDK-YJBOKZPZSA-N 1 3 345.503 2.062 10 0 EEAEHO CCOCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001485349405 1191750111 /nfs/dbraw/zinc/75/01/11/1191750111.db2.gz FRYSGDIQRJQQDK-YJBOKZPZSA-N 1 3 345.503 2.062 10 0 EEAEHO CC[C@H](C(=O)N(C)C1CC([NH2+]CCOc2ccc(C)cc2)C1)N(C)C ZINC001486480907 1193994676 /nfs/dbraw/zinc/99/46/76/1193994676.db2.gz RPNTYWINKIFBCA-FAFZWHIHSA-N 1 3 347.503 2.293 10 0 EEAEHO CN(CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C/C=C\Cl)C[C@H]2C1)C1CCC1 ZINC001410196648 1197598528 /nfs/dbraw/zinc/59/85/28/1197598528.db2.gz MLBDLLRUEATRTO-FFVPEEIRSA-N 1 3 339.911 2.440 10 0 EEAEHO CN(CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C/C=C\Cl)C[C@H]2C1)C1CCC1 ZINC001410196648 1197598532 /nfs/dbraw/zinc/59/85/32/1197598532.db2.gz MLBDLLRUEATRTO-FFVPEEIRSA-N 1 3 339.911 2.440 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2N(C)C)[C@H]1C ZINC001410864193 1198515068 /nfs/dbraw/zinc/51/50/68/1198515068.db2.gz QGHZZIMMQPNICU-SJLPKXTDSA-N 1 3 346.519 2.172 10 0 EEAEHO CN(CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cncs2)C1)C1CCC1 ZINC001410949420 1198614898 /nfs/dbraw/zinc/61/48/98/1198614898.db2.gz IKPBANUJWHWVGX-UONOGXRCSA-N 1 3 336.505 2.002 10 0 EEAEHO CC[C@@H](F)C[NH+]1CCC(C2(NC(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001411252215 1198976997 /nfs/dbraw/zinc/97/69/97/1198976997.db2.gz QMDMWJFKLBURGY-CVEARBPZSA-N 1 3 327.488 2.436 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000810713294 1199669232 /nfs/dbraw/zinc/66/92/32/1199669232.db2.gz RDWTZTCEXSBUFB-JMLCCBQJSA-N 1 3 325.472 2.332 10 0 EEAEHO CN(C(=O)CCC12CC(C1)C[NH2+]2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000870908065 1200945670 /nfs/dbraw/zinc/94/56/70/1200945670.db2.gz UETYKUFQUUTHMR-FDYSRKEFSA-N 1 3 327.472 2.252 10 0 EEAEHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)N(C)Cc1ccccc1 ZINC000868234259 1201772311 /nfs/dbraw/zinc/77/23/11/1201772311.db2.gz ZSIXBOHEZDGKTE-NEWSRXKRSA-N 1 3 344.503 2.243 10 0 EEAEHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)N(C)Cc1ccccc1 ZINC000868234259 1201772314 /nfs/dbraw/zinc/77/23/14/1201772314.db2.gz ZSIXBOHEZDGKTE-NEWSRXKRSA-N 1 3 344.503 2.243 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001275572397 1205421524 /nfs/dbraw/zinc/42/15/24/1205421524.db2.gz VKWPIGSBZDWPKC-QWHCGFSZSA-N 1 3 326.872 2.058 10 0 EEAEHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)c1 ZINC000924931815 1206052408 /nfs/dbraw/zinc/05/24/08/1206052408.db2.gz LHSWEHQJTUGFRR-TXPKVOOTSA-N 1 3 336.476 2.157 10 0 EEAEHO [NH3+][C@H]1CCCCC[C@H]1NCC1(n2cc(Br)cn2)CC1 ZINC000925837879 1206158895 /nfs/dbraw/zinc/15/88/95/1206158895.db2.gz ISIVHZSMRRMKNP-QWHCGFSZSA-N 1 3 327.270 2.384 10 0 EEAEHO O=C1O[C@@H](CN[C@@H]2CCCOc3ccccc32)CC12CC[NH2+]CC2 ZINC000925856817 1206161828 /nfs/dbraw/zinc/16/18/28/1206161828.db2.gz XKGJNCJENLMVIA-GDBMZVCRSA-N 1 3 330.428 2.175 10 0 EEAEHO C[C@H]1[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000928442596 1206384592 /nfs/dbraw/zinc/38/45/92/1206384592.db2.gz WNNZTRSEDMOGSO-FUHWJXTLSA-N 1 3 329.488 2.498 10 0 EEAEHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@H+](C)[C@H]3C)c2)CC1 ZINC000930892150 1206590378 /nfs/dbraw/zinc/59/03/78/1206590378.db2.gz FLTGZYJHEIZJFX-MAUKXSAKSA-N 1 3 345.491 2.043 10 0 EEAEHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@@H+](C)[C@H]3C)c2)CC1 ZINC000930892150 1206590379 /nfs/dbraw/zinc/59/03/79/1206590379.db2.gz FLTGZYJHEIZJFX-MAUKXSAKSA-N 1 3 345.491 2.043 10 0 EEAEHO CCOc1ccccc1CC[NH2+]C[C@H](CN)Cc1cnn(C)c1C ZINC000903923074 1242515678 /nfs/dbraw/zinc/51/56/78/1242515678.db2.gz KPUBUECWNPEFEY-INIZCTEOSA-N 1 3 330.476 2.077 10 0 EEAEHO CN(CCCNCc1cccc(F)c1Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001276379350 1243329674 /nfs/dbraw/zinc/32/96/74/1243329674.db2.gz BYGMWPWEFNIGGS-AWEZNQCLSA-N 1 3 341.858 2.369 10 0 EEAEHO CN(CCCNCc1cccc(F)c1Cl)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001276379350 1243329680 /nfs/dbraw/zinc/32/96/80/1243329680.db2.gz BYGMWPWEFNIGGS-AWEZNQCLSA-N 1 3 341.858 2.369 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1)N(C)C ZINC001491073916 1258648940 /nfs/dbraw/zinc/64/89/40/1258648940.db2.gz YPYXMZQZHIATOM-IJEWVQPXSA-N 1 3 338.883 2.058 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@@H]1CCCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001490455078 1291390958 /nfs/dbraw/zinc/39/09/58/1291390958.db2.gz PVJSMRZLIPOTHT-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001490605482 1291515605 /nfs/dbraw/zinc/51/56/05/1291515605.db2.gz FQXOMWBULZSUMH-FUVBFXSKSA-N 1 3 327.900 2.442 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@H+](C)CC[C@H]2CCCO2)C1 ZINC001490782965 1291728747 /nfs/dbraw/zinc/72/87/47/1291728747.db2.gz MHADRUPTYFPXED-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)CC[C@H]2CCCO2)C1 ZINC001490782965 1291728753 /nfs/dbraw/zinc/72/87/53/1291728753.db2.gz MHADRUPTYFPXED-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CN(C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861662463 1295493130 /nfs/dbraw/zinc/49/31/30/1295493130.db2.gz AIHHLTBIXBTWFP-GOSISDBHSA-N 1 3 344.503 2.087 10 0 EEAEHO COc1ccc2c(c1)CC[C@@H]2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000862166838 1295733602 /nfs/dbraw/zinc/73/36/02/1295733602.db2.gz MUVDHUOCBYIJDA-KXBFYZLASA-N 1 3 347.503 2.113 10 0 EEAEHO COc1ccc2c(c1)CC[C@@H]2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000862166838 1295733616 /nfs/dbraw/zinc/73/36/16/1295733616.db2.gz MUVDHUOCBYIJDA-KXBFYZLASA-N 1 3 347.503 2.113 10 0 EEAEHO Cc1csc(CNCCC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001277334777 1302474571 /nfs/dbraw/zinc/47/45/71/1302474571.db2.gz APOSWAMUTZQPPI-UKRRQHHQSA-N 1 3 338.521 2.168 10 0 EEAEHO Cc1csc(CNCCC[C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001277334777 1302474578 /nfs/dbraw/zinc/47/45/78/1302474578.db2.gz APOSWAMUTZQPPI-UKRRQHHQSA-N 1 3 338.521 2.168 10 0 EEAEHO CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC001413819072 1303144010 /nfs/dbraw/zinc/14/40/10/1303144010.db2.gz QLWKSFJRSZTZJM-CGTJXYLNSA-N 1 3 332.492 2.413 10 0 EEAEHO CC[N@@H+](C)[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC001413819072 1303144012 /nfs/dbraw/zinc/14/40/12/1303144012.db2.gz QLWKSFJRSZTZJM-CGTJXYLNSA-N 1 3 332.492 2.413 10 0 EEAEHO CC(C)CCOCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001277786188 1304485316 /nfs/dbraw/zinc/48/53/16/1304485316.db2.gz UNGZSCDIEJTLMP-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc(Cl)n1 ZINC000841851144 1315623420 /nfs/dbraw/zinc/62/34/20/1315623420.db2.gz KZSOYAQWHZYVKG-PBHICJAKSA-N 1 3 336.867 2.035 10 0 EEAEHO CC[C@@H](C(=O)NCC1([NH2+]CCCC(C)(C)C)CCOCC1)N(C)C ZINC001278728116 1317872944 /nfs/dbraw/zinc/87/29/44/1317872944.db2.gz BNJYMOFCHBZNQP-INIZCTEOSA-N 1 3 341.540 2.408 10 0 EEAEHO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCC(C)(C)C)N1CCCCCC1 ZINC001278817715 1318200894 /nfs/dbraw/zinc/20/08/94/1318200894.db2.gz TVVFSPSAMPMVEP-IRXDYDNUSA-N 1 3 341.540 2.096 10 0 EEAEHO Cc1ncc(CN[C@H](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001279039406 1319064141 /nfs/dbraw/zinc/06/41/41/1319064141.db2.gz VOLQYQIAPREBHV-GDBMZVCRSA-N 1 3 336.480 2.042 10 0 EEAEHO CC(C)OCC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001265623608 1323274462 /nfs/dbraw/zinc/27/44/62/1323274462.db2.gz AFYFBJRTGDRVBM-KRWDZBQOSA-N 1 3 341.540 2.218 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2CN(C/C=C/c3ccccc3)C[C@H]21 ZINC001265725738 1323351463 /nfs/dbraw/zinc/35/14/63/1323351463.db2.gz DYVJJOIHDSEQSM-KAVBBEAFSA-N 1 3 341.499 2.478 10 0 EEAEHO Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC001265894891 1323464747 /nfs/dbraw/zinc/46/47/47/1323464747.db2.gz AHPSSAXLDGJFIP-RBUKOAKNSA-N 1 3 329.488 2.212 10 0 EEAEHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)Cc1scnc1C ZINC001266049135 1323599059 /nfs/dbraw/zinc/59/90/59/1323599059.db2.gz IWGCWKDHQDRXHB-UHFFFAOYSA-N 1 3 338.521 2.264 10 0 EEAEHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)Cc1scnc1C ZINC001266049135 1323599063 /nfs/dbraw/zinc/59/90/63/1323599063.db2.gz IWGCWKDHQDRXHB-UHFFFAOYSA-N 1 3 338.521 2.264 10 0 EEAEHO Cc1oncc1CNC1CC(N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001279329510 1323876361 /nfs/dbraw/zinc/87/63/61/1323876361.db2.gz YYGVPNTVWAXGTR-UHFFFAOYSA-N 1 3 348.491 2.328 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)NCC2=CC[N@H+](CCCF)CC2)C1 ZINC001279636887 1323967287 /nfs/dbraw/zinc/96/72/87/1323967287.db2.gz PNBLGLGSIIXQNP-GOSISDBHSA-N 1 3 343.462 2.307 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)NCC2=CC[N@@H+](CCCF)CC2)C1 ZINC001279636887 1323967291 /nfs/dbraw/zinc/96/72/91/1323967291.db2.gz PNBLGLGSIIXQNP-GOSISDBHSA-N 1 3 343.462 2.307 10 0 EEAEHO CCCCOCC[N@@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001280746808 1324472835 /nfs/dbraw/zinc/47/28/35/1324472835.db2.gz LLAWPUNAGBDWNC-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO CCCCOCC[N@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001280746808 1324472837 /nfs/dbraw/zinc/47/28/37/1324472837.db2.gz LLAWPUNAGBDWNC-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO CC(C)OCCC[N@@H+]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001276593262 1324686904 /nfs/dbraw/zinc/68/69/04/1324686904.db2.gz IYCKVJRMLVZIAX-IRXDYDNUSA-N 1 3 341.540 2.214 10 0 EEAEHO CC(C)OCCC[N@H+]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001276593262 1324686907 /nfs/dbraw/zinc/68/69/07/1324686907.db2.gz IYCKVJRMLVZIAX-IRXDYDNUSA-N 1 3 341.540 2.214 10 0 EEAEHO CCOCCN(C)CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C(C)C ZINC001284553450 1326608248 /nfs/dbraw/zinc/60/82/48/1326608248.db2.gz LZFQDHHWCZGAEC-QZTJIDSGSA-N 1 3 339.524 2.209 10 0 EEAEHO CCOCCN(C)CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C(C)C ZINC001284553450 1326608250 /nfs/dbraw/zinc/60/82/50/1326608250.db2.gz LZFQDHHWCZGAEC-QZTJIDSGSA-N 1 3 339.524 2.209 10 0 EEAEHO CCOCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001316668736 1330254279 /nfs/dbraw/zinc/25/42/79/1330254279.db2.gz HEOFMMZJSSHCBA-IRXDYDNUSA-N 1 3 339.524 2.066 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCCC(F)(F)F)C1 ZINC001491791045 1330257218 /nfs/dbraw/zinc/25/72/18/1330257218.db2.gz KAYVCIDVPCPBBZ-KBPBESRZSA-N 1 3 335.414 2.251 10 0 EEAEHO Cc1nc(C)c(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)s1 ZINC001491859505 1330266612 /nfs/dbraw/zinc/26/66/12/1330266612.db2.gz VVUYFMHXQXYYCL-HNNXBMFYSA-N 1 3 338.521 2.038 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccnc1 ZINC001492092412 1330999194 /nfs/dbraw/zinc/99/91/94/1330999194.db2.gz PWZXBLAQAVISQC-AEFFLSMTSA-N 1 3 332.492 2.329 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001317308881 1332173680 /nfs/dbraw/zinc/17/36/80/1332173680.db2.gz YBQRBZXHLRUORO-STQMWFEESA-N 1 3 336.307 2.103 10 0 EEAEHO CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001317383156 1332208271 /nfs/dbraw/zinc/20/82/71/1332208271.db2.gz KBLVXDWOKPXHBB-MSOLQXFVSA-N 1 3 339.524 2.209 10 0 EEAEHO CCOCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001317383156 1332208273 /nfs/dbraw/zinc/20/82/73/1332208273.db2.gz KBLVXDWOKPXHBB-MSOLQXFVSA-N 1 3 339.524 2.209 10 0 EEAEHO O=C(CCCC[NH+]1CCCC1)NCC1CN(CC2CC(F)(F)C2)C1 ZINC001318178859 1332482619 /nfs/dbraw/zinc/48/26/19/1332482619.db2.gz CGOFKWNWFOZFLL-UHFFFAOYSA-N 1 3 343.462 2.346 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1ccns1)NC(=O)CN(C)CC(C)(C)C ZINC001320549275 1332907773 /nfs/dbraw/zinc/90/77/73/1332907773.db2.gz QEHWLLLJJDRJDO-ZDUSSCGKSA-N 1 3 326.510 2.105 10 0 EEAEHO Cc1ccc(F)cc1CNC/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001321220788 1333047590 /nfs/dbraw/zinc/04/75/90/1333047590.db2.gz DMWOKUOJBVVGHF-ONEGZZNKSA-N 1 3 333.451 2.238 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)CCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001322845807 1333340137 /nfs/dbraw/zinc/34/01/37/1333340137.db2.gz XIIIWXNKIUWXPT-UHFFFAOYSA-N 1 3 330.476 2.446 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001323601718 1333496362 /nfs/dbraw/zinc/49/63/62/1333496362.db2.gz IIDKBFXXVUKLCS-LLVKDONJSA-N 1 3 345.274 2.083 10 0 EEAEHO CCCCOCC[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001323832218 1333549739 /nfs/dbraw/zinc/54/97/39/1333549739.db2.gz LTGYAMQKLDJQAG-UHFFFAOYSA-N 1 3 348.491 2.083 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCc1ccc(C)cc1)N(C)C ZINC001324179968 1333629305 /nfs/dbraw/zinc/62/93/05/1333629305.db2.gz GMZLTPDSDXUDOS-RBUKOAKNSA-N 1 3 331.504 2.458 10 0 EEAEHO Cc1ccccc1OCC[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001324286076 1333649701 /nfs/dbraw/zinc/64/97/01/1333649701.db2.gz NZVZDCFNPKJJDH-GOSISDBHSA-N 1 3 347.503 2.295 10 0 EEAEHO Cc1ncoc1CNCC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001326349792 1334074070 /nfs/dbraw/zinc/07/40/70/1334074070.db2.gz OIGXUFNAZHZQID-UAGQMJEPSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1ncoc1CNCC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001326349792 1334074073 /nfs/dbraw/zinc/07/40/73/1334074073.db2.gz OIGXUFNAZHZQID-UAGQMJEPSA-N 1 3 348.491 2.042 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+]Cc2cc(C)ns2)C1 ZINC001326417725 1334089382 /nfs/dbraw/zinc/08/93/82/1334089382.db2.gz DKBRWYJIQVBJNI-HNNXBMFYSA-N 1 3 338.521 2.122 10 0 EEAEHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CCO1 ZINC001326980505 1334196050 /nfs/dbraw/zinc/19/60/50/1334196050.db2.gz UVZIEPONMXSDCE-QZTJIDSGSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)CC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CCO1 ZINC001327080917 1334217292 /nfs/dbraw/zinc/21/72/92/1334217292.db2.gz NSAHJCPUFGHPBV-IBGZPJMESA-N 1 3 347.503 2.225 10 0 EEAEHO CN(CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCC(F)(F)F)C1)C1CCC1 ZINC001332274200 1335788198 /nfs/dbraw/zinc/78/81/98/1335788198.db2.gz ZXNKJNWVOFWCOR-QWHCGFSZSA-N 1 3 335.414 2.298 10 0 EEAEHO COc1ccc(C)cc1C[NH2+]CC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001668214979 1355900581 /nfs/dbraw/zinc/90/05/81/1355900581.db2.gz SYHBMGKLJGUPOU-SJORKVTESA-N 1 3 347.503 2.330 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1cncc(F)c1)NC(=O)CN(C)CC(C)(C)C ZINC001668214455 1355900883 /nfs/dbraw/zinc/90/08/83/1355900883.db2.gz LWHHHKTWQIBDOL-AWEZNQCLSA-N 1 3 338.471 2.183 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001436359651 1342050909 /nfs/dbraw/zinc/05/09/09/1342050909.db2.gz RGFPPRBPHJNMGS-NXOAAHMSSA-N 1 3 327.488 2.482 10 0 EEAEHO Cc1ncoc1CNCC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001565938214 1342482458 /nfs/dbraw/zinc/48/24/58/1342482458.db2.gz HANOGILGHPAGFJ-GDBMZVCRSA-N 1 3 336.480 2.042 10 0 EEAEHO CC(C)[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)Cc1ccccn1 ZINC001567648634 1342801729 /nfs/dbraw/zinc/80/17/29/1342801729.db2.gz BDMWTXMCEVOPLW-QGZVFWFLSA-N 1 3 332.492 2.140 10 0 EEAEHO CC(C)[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)Cc1ccccn1 ZINC001567648634 1342801735 /nfs/dbraw/zinc/80/17/35/1342801735.db2.gz BDMWTXMCEVOPLW-QGZVFWFLSA-N 1 3 332.492 2.140 10 0 EEAEHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CNCC=C(Cl)Cl)C(C)(C)C)C1 ZINC001677306174 1357310601 /nfs/dbraw/zinc/31/06/01/1357310601.db2.gz CMRNOBINIMEFPL-VXGBXAGGSA-N 1 3 336.307 2.378 10 0 EEAEHO C[N@H+]1CC[C@@H](C(=O)N[C@H](CNCC=C(Cl)Cl)C(C)(C)C)C1 ZINC001677306174 1357310605 /nfs/dbraw/zinc/31/06/05/1357310605.db2.gz CMRNOBINIMEFPL-VXGBXAGGSA-N 1 3 336.307 2.378 10 0 EEAEHO Cc1cccc(CCC[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001662721682 1354831340 /nfs/dbraw/zinc/83/13/40/1354831340.db2.gz GAOVQJUKFRBRRV-FQEVSTJZSA-N 1 3 343.515 2.462 10 0 EEAEHO COc1ccc(C)cc1CNCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001663927550 1355054433 /nfs/dbraw/zinc/05/44/33/1355054433.db2.gz DICYDFJDMSVXAZ-GOSISDBHSA-N 1 3 347.503 2.424 10 0 EEAEHO COc1ccc(C)cc1CNCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001663927550 1355054439 /nfs/dbraw/zinc/05/44/39/1355054439.db2.gz DICYDFJDMSVXAZ-GOSISDBHSA-N 1 3 347.503 2.424 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@](C)(C[NH2+]CCc1cccs1)C1CC1 ZINC001666038206 1355430419 /nfs/dbraw/zinc/43/04/19/1355430419.db2.gz UEESYFLEMVBQPI-GOSISDBHSA-N 1 3 346.500 2.439 10 0 EEAEHO CCCCOCC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001667176857 1355665527 /nfs/dbraw/zinc/66/55/27/1355665527.db2.gz RHNHDNQEELPOSC-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC/C=C/C[NH2+]CC2CCC(F)(F)CC2)C1 ZINC001669039248 1356073689 /nfs/dbraw/zinc/07/36/89/1356073689.db2.gz LHMHINSQBNMGLZ-FAAWYNLUSA-N 1 3 343.462 2.416 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCOc1ccccc1 ZINC001669559688 1356176067 /nfs/dbraw/zinc/17/60/67/1356176067.db2.gz YWPNXAWEPDQWGX-WMZOPIPTSA-N 1 3 333.476 2.033 10 0 EEAEHO COCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001672536388 1356548545 /nfs/dbraw/zinc/54/85/45/1356548545.db2.gz AJHRJLRHHKBKAS-HOTGVXAUSA-N 1 3 348.491 2.179 10 0 EEAEHO COCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001672536388 1356548547 /nfs/dbraw/zinc/54/85/47/1356548547.db2.gz AJHRJLRHHKBKAS-HOTGVXAUSA-N 1 3 348.491 2.179 10 0 EEAEHO CCC1([NH2+]CCOCC(C)C)CCN(C(=O)CN2CCCC2)CC1 ZINC001673625308 1356719425 /nfs/dbraw/zinc/71/94/25/1356719425.db2.gz PTLLVUSNBUCZLK-UHFFFAOYSA-N 1 3 339.524 2.116 10 0 EEAEHO CN(C)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC4=CCCCC4)C[C@H]32)CCC1 ZINC001675522310 1357000027 /nfs/dbraw/zinc/00/00/27/1357000027.db2.gz LUCIGDUJBAUZHG-NNZMDNLPSA-N 1 3 331.504 2.265 10 0 EEAEHO CN(C)C1(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC4=CCCCC4)C[C@H]32)CCC1 ZINC001675522310 1357000030 /nfs/dbraw/zinc/00/00/30/1357000030.db2.gz LUCIGDUJBAUZHG-NNZMDNLPSA-N 1 3 331.504 2.265 10 0 EEAEHO Cc1cnc([C@@H](C)NCCC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cn1 ZINC001675966275 1357079254 /nfs/dbraw/zinc/07/92/54/1357079254.db2.gz NICLGYXYPCNKHS-GDBMZVCRSA-N 1 3 347.507 2.062 10 0 EEAEHO CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C(F)(F)F ZINC001691935072 1404967046 /nfs/dbraw/zinc/96/70/46/1404967046.db2.gz BEMONGFWIRMDAJ-TZMCWYRMSA-N 1 3 346.397 2.369 10 0 EEAEHO COc1cccc(CNC/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001699257422 1405298199 /nfs/dbraw/zinc/29/81/99/1405298199.db2.gz PCEJXPAAZKAJQT-PHWHVTFISA-N 1 3 345.487 2.330 10 0 EEAEHO COc1cccc(CNC/C=C\CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001699257422 1405298205 /nfs/dbraw/zinc/29/82/05/1405298205.db2.gz PCEJXPAAZKAJQT-PHWHVTFISA-N 1 3 345.487 2.330 10 0 EEAEHO CC[C@H](C(=O)N(C)CCC[NH2+]Cc1nc(C)c(C)s1)N(C)C ZINC001699545303 1405379857 /nfs/dbraw/zinc/37/98/57/1405379857.db2.gz LYJODSHOVLFUPC-CQSZACIVSA-N 1 3 326.510 2.038 10 0 EEAEHO COC[C@@H](NCCN1CCC([NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000925811848 777590409 /nfs/dbraw/zinc/59/04/09/777590409.db2.gz SRBMCBWANWBMKG-MRXNPFEDSA-N 1 3 345.409 2.406 10 0 EEAEHO c1ccc(CN2CC[C@H]3OCCN(CC[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC000844401585 789068833 /nfs/dbraw/zinc/06/88/33/789068833.db2.gz MXYILVFLIDRXDZ-WOJBJXKFSA-N 1 3 329.488 2.058 10 0 EEAEHO CCCCN(CCCC)C(=O)CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923455338 789571501 /nfs/dbraw/zinc/57/15/01/789571501.db2.gz SRJFTFMFAPDMDU-KRWDZBQOSA-N 1 3 339.524 2.245 10 0 EEAEHO CCN(C(=O)[C@H](C)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000923457325 789574842 /nfs/dbraw/zinc/57/48/42/789574842.db2.gz TYSARKJMBITQCZ-FUHWJXTLSA-N 1 3 345.487 2.258 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCN1C ZINC000913939947 794622290 /nfs/dbraw/zinc/62/22/90/794622290.db2.gz QDTHSUSVCBBQCU-QAPCUYQASA-N 1 3 330.476 2.174 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@H]1CCN(Cc2ccccn2)CC(C)(C)C1 ZINC001436502313 1088033187 /nfs/dbraw/zinc/03/31/87/1088033187.db2.gz XPBACVVDJZRQGX-MRXNPFEDSA-N 1 3 332.492 2.140 10 0 EEAEHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCc3ccccc3C2)C1)N(C)C ZINC001436901976 1088557382 /nfs/dbraw/zinc/55/73/82/1088557382.db2.gz QZIXXJRBKFEZCD-MVJPYGJCSA-N 1 3 343.515 2.369 10 0 EEAEHO C[NH+](C)CC1(C(=O)N2CCC[C@@H]3CN(C/C=C\Cl)CC[C@@H]32)CC1 ZINC001436946120 1088627087 /nfs/dbraw/zinc/62/70/87/1088627087.db2.gz QXZGKHJRDHRKPK-LFWKBAGKSA-N 1 3 339.911 2.394 10 0 EEAEHO CCN(CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)CCOC1CCC1 ZINC001437624907 1090135926 /nfs/dbraw/zinc/13/59/26/1090135926.db2.gz GOKNFFDECUHYRK-WMZOPIPTSA-N 1 3 337.508 2.011 10 0 EEAEHO CCN(CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)CCOC1CCC1 ZINC001437624907 1090135932 /nfs/dbraw/zinc/13/59/32/1090135932.db2.gz GOKNFFDECUHYRK-WMZOPIPTSA-N 1 3 337.508 2.011 10 0 EEAEHO CCN(CCNC(=O)C12CC[NH+](CC1)C2)Cc1cc2ccccc2o1 ZINC001437637772 1090153714 /nfs/dbraw/zinc/15/37/14/1090153714.db2.gz IRTGTYCIJMSQJU-UHFFFAOYSA-N 1 3 341.455 2.467 10 0 EEAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001438161099 1090673841 /nfs/dbraw/zinc/67/38/41/1090673841.db2.gz QZCLMQBXZJXUSW-HOTGVXAUSA-N 1 3 333.520 2.488 10 0 EEAEHO Cc1ncc(CN2CCC(CCNC(=O)C3(C[NH+](C)C)CC3)CC2)o1 ZINC001438456932 1090966704 /nfs/dbraw/zinc/96/67/04/1090966704.db2.gz RPEOTLUDRABDGF-UHFFFAOYSA-N 1 3 348.491 2.043 10 0 EEAEHO Cc1ccc(F)c(CNC[C@@H](C)N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001438650335 1091134710 /nfs/dbraw/zinc/13/47/10/1091134710.db2.gz ZSBWLUGICUQCCZ-CRAIPNDOSA-N 1 3 347.478 2.412 10 0 EEAEHO C[C@@H](CNCc1ccccn1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001445592391 1091383527 /nfs/dbraw/zinc/38/35/27/1091383527.db2.gz BOQBUWIJFPVDAN-LPHOPBHVSA-N 1 3 344.503 2.473 10 0 EEAEHO C[C@@H](CNCc1ccccn1)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001445592391 1091383536 /nfs/dbraw/zinc/38/35/36/1091383536.db2.gz BOQBUWIJFPVDAN-LPHOPBHVSA-N 1 3 344.503 2.473 10 0 EEAEHO CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1ccns1 ZINC001438805384 1091413360 /nfs/dbraw/zinc/41/33/60/1091413360.db2.gz ASZGQGIFWMJHPC-DZKIICNBSA-N 1 3 338.521 2.104 10 0 EEAEHO CC(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1ccns1 ZINC001438805384 1091413366 /nfs/dbraw/zinc/41/33/66/1091413366.db2.gz ASZGQGIFWMJHPC-DZKIICNBSA-N 1 3 338.521 2.104 10 0 EEAEHO Cc1ncsc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001438956912 1091649018 /nfs/dbraw/zinc/64/90/18/1091649018.db2.gz FMKXYGGZPIFWGX-CABCVRRESA-N 1 3 338.521 2.166 10 0 EEAEHO CC(C)Oc1ccccc1C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001439154984 1091796633 /nfs/dbraw/zinc/79/66/33/1091796633.db2.gz QMWHUQJJDCMJED-DLBZAZTESA-N 1 3 347.503 2.410 10 0 EEAEHO Cc1ncccc1CNC1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001446254378 1092382928 /nfs/dbraw/zinc/38/29/28/1092382928.db2.gz YLRPAKFBMVGGMK-MSOLQXFVSA-N 1 3 342.487 2.145 10 0 EEAEHO Cc1ncccc1CNC1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001446254378 1092382936 /nfs/dbraw/zinc/38/29/36/1092382936.db2.gz YLRPAKFBMVGGMK-MSOLQXFVSA-N 1 3 342.487 2.145 10 0 EEAEHO C[NH+]1CCC(CC(=O)NC[C@H]2CCN2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001439562460 1092441435 /nfs/dbraw/zinc/44/14/35/1092441435.db2.gz RKIUEGMBSWRCLH-HZPDHXFCSA-N 1 3 343.462 2.344 10 0 EEAEHO Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)s1 ZINC001440127943 1093189969 /nfs/dbraw/zinc/18/99/69/1093189969.db2.gz UESWKDIFPAQUKQ-ZFWWWQNUSA-N 1 3 338.521 2.118 10 0 EEAEHO CC[C@@H](F)CN1C[C@]2(C)CN(C(=O)CC[N@H+](C)CC)C[C@]2(C)C1 ZINC001448489252 1093515166 /nfs/dbraw/zinc/51/51/66/1093515166.db2.gz OPSVQYUFDPTPAV-NXHRZFHOSA-N 1 3 327.488 2.247 10 0 EEAEHO CC[C@@H](F)CN1C[C@]2(C)CN(C(=O)CC[N@@H+](C)CC)C[C@]2(C)C1 ZINC001448489252 1093515174 /nfs/dbraw/zinc/51/51/74/1093515174.db2.gz OPSVQYUFDPTPAV-NXHRZFHOSA-N 1 3 327.488 2.247 10 0 EEAEHO CC[C@@H](F)CN1CC[C@]2(C1)CCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001440537254 1093801120 /nfs/dbraw/zinc/80/11/20/1093801120.db2.gz KBXHTOVYEILJSX-AEFFLSMTSA-N 1 3 327.488 2.391 10 0 EEAEHO CC[C@@H](F)CN1CC[C@]2(C1)CCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001440537254 1093801146 /nfs/dbraw/zinc/80/11/46/1093801146.db2.gz KBXHTOVYEILJSX-AEFFLSMTSA-N 1 3 327.488 2.391 10 0 EEAEHO C[NH+](C)CCC(=O)NC1CC(CNCc2c(F)cccc2Cl)C1 ZINC001440757226 1093999897 /nfs/dbraw/zinc/99/98/97/1093999897.db2.gz SNFIHLZYDKGWLK-UHFFFAOYSA-N 1 3 341.858 2.415 10 0 EEAEHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)NCc2cccnc2)CC1 ZINC001440837856 1094091671 /nfs/dbraw/zinc/09/16/71/1094091671.db2.gz PFHCMELAHSFFCP-HZPDHXFCSA-N 1 3 332.492 2.185 10 0 EEAEHO COCc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001440941697 1094193336 /nfs/dbraw/zinc/19/33/36/1094193336.db2.gz VPTCHTLEXPBXHZ-INIZCTEOSA-N 1 3 347.503 2.254 10 0 EEAEHO COCc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001440941697 1094193338 /nfs/dbraw/zinc/19/33/38/1094193338.db2.gz VPTCHTLEXPBXHZ-INIZCTEOSA-N 1 3 347.503 2.254 10 0 EEAEHO CC[C@@H](F)CN1CCC(C2(NC(=O)CC[N@H+](C)CC)CC2)CC1 ZINC001449411721 1094395060 /nfs/dbraw/zinc/39/50/60/1094395060.db2.gz QNSQVAYXJIPVRF-MRXNPFEDSA-N 1 3 327.488 2.437 10 0 EEAEHO CC[C@@H](F)CN1CCC(C2(NC(=O)CC[N@@H+](C)CC)CC2)CC1 ZINC001449411721 1094395064 /nfs/dbraw/zinc/39/50/64/1094395064.db2.gz QNSQVAYXJIPVRF-MRXNPFEDSA-N 1 3 327.488 2.437 10 0 EEAEHO CC[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc1ccc(C)nc1C)C1CC1)N(C)C ZINC001441474049 1095139972 /nfs/dbraw/zinc/13/99/72/1095139972.db2.gz PASUCUARNFUQRY-RBUKOAKNSA-N 1 3 346.519 2.365 10 0 EEAEHO Cc1cccnc1CN1CCC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001441578207 1095374369 /nfs/dbraw/zinc/37/43/69/1095374369.db2.gz DLHWXDPQXPMOHC-ROUUACIJSA-N 1 3 344.503 2.060 10 0 EEAEHO Cc1cccnc1CN1CCC[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001441578207 1095374383 /nfs/dbraw/zinc/37/43/83/1095374383.db2.gz DLHWXDPQXPMOHC-ROUUACIJSA-N 1 3 344.503 2.060 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C)nc2C)C1 ZINC001441624012 1095499218 /nfs/dbraw/zinc/49/92/18/1095499218.db2.gz WXBTURPDOMSVDD-SFHVURJKSA-N 1 3 346.519 2.368 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2ccc(C)nc2C)CC[N@@H+]1C ZINC001441855051 1095943864 /nfs/dbraw/zinc/94/38/64/1095943864.db2.gz GFPOPJIXFMKTPV-FHLIZLRMSA-N 1 3 332.492 2.023 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2ccc(C)nc2C)CC[N@H+]1C ZINC001441855051 1095943878 /nfs/dbraw/zinc/94/38/78/1095943878.db2.gz GFPOPJIXFMKTPV-FHLIZLRMSA-N 1 3 332.492 2.023 10 0 EEAEHO CC(C)Oc1ccccc1CN[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001442006662 1096210647 /nfs/dbraw/zinc/21/06/47/1096210647.db2.gz HYGZGCZRXMHTEN-SJORKVTESA-N 1 3 347.503 2.410 10 0 EEAEHO CC(C)Oc1ccccc1CN[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001442006662 1096210650 /nfs/dbraw/zinc/21/06/50/1096210650.db2.gz HYGZGCZRXMHTEN-SJORKVTESA-N 1 3 347.503 2.410 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)C1CC(NCc2ccccn2)C1)[NH+]1CCCC1 ZINC001442260127 1096563025 /nfs/dbraw/zinc/56/30/25/1096563025.db2.gz PCNCXGKEIJWRQY-CTWPCTMYSA-N 1 3 344.503 2.281 10 0 EEAEHO COc1ccc(CN(C)CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)cc1 ZINC001442550563 1096913125 /nfs/dbraw/zinc/91/31/25/1096913125.db2.gz CVPGRQTXNBVTFE-IEBWSBKVSA-N 1 3 345.487 2.260 10 0 EEAEHO COc1ccc(CN(C)CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)cc1 ZINC001442550563 1096913130 /nfs/dbraw/zinc/91/31/30/1096913130.db2.gz CVPGRQTXNBVTFE-IEBWSBKVSA-N 1 3 345.487 2.260 10 0 EEAEHO Cc1ccc(F)cc1C[N@H+]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001442913701 1097321453 /nfs/dbraw/zinc/32/14/53/1097321453.db2.gz YSCXFHNYBFNWEM-MRXNPFEDSA-N 1 3 335.467 2.412 10 0 EEAEHO Cc1ccc(F)cc1C[N@@H+]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001442913701 1097321458 /nfs/dbraw/zinc/32/14/58/1097321458.db2.gz YSCXFHNYBFNWEM-MRXNPFEDSA-N 1 3 335.467 2.412 10 0 EEAEHO CCCN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1ccc(F)cc1 ZINC001442955404 1097373279 /nfs/dbraw/zinc/37/32/79/1097373279.db2.gz ZASMSDNRUJQEHV-QGZVFWFLSA-N 1 3 335.467 2.496 10 0 EEAEHO CCCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1ccc(F)cc1 ZINC001442955404 1097373283 /nfs/dbraw/zinc/37/32/83/1097373283.db2.gz ZASMSDNRUJQEHV-QGZVFWFLSA-N 1 3 335.467 2.496 10 0 EEAEHO O=C(NC1(CNCc2cncs2)CCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001444058637 1098582437 /nfs/dbraw/zinc/58/24/37/1098582437.db2.gz BJYVVIPOQMOXPY-MRXNPFEDSA-N 1 3 348.516 2.004 10 0 EEAEHO Cc1cc(CN[C@@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)sn1 ZINC001479693289 1098759514 /nfs/dbraw/zinc/75/95/14/1098759514.db2.gz WNSCUKUSCYTWJV-OAHLLOKOSA-N 1 3 338.521 2.264 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1([NH2+]C[C@H]2CCO[C@H](C)C2)CCCC1 ZINC001444540031 1099320558 /nfs/dbraw/zinc/32/05/58/1099320558.db2.gz YAEFXGUWBSLBAU-SJORKVTESA-N 1 3 339.524 2.160 10 0 EEAEHO C[C@H](C[NH2+]Cc1ccc(CF)cc1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001444667106 1099506674 /nfs/dbraw/zinc/50/66/74/1099506674.db2.gz PCHWZKGNDDICTP-HZPDHXFCSA-N 1 3 335.467 2.434 10 0 EEAEHO C[C@H](C[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C(=O)Cc1c[nH]cn1 ZINC001444690224 1099540252 /nfs/dbraw/zinc/54/02/52/1099540252.db2.gz ORSAEJWAXSZWQQ-CHWSQXEVSA-N 1 3 328.407 2.214 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@@H]([NH2+]CC2CC2)C2CC2)C1 ZINC001480047750 1099553261 /nfs/dbraw/zinc/55/32/61/1099553261.db2.gz VMSZBEDNPLLWRL-CRAIPNDOSA-N 1 3 325.472 2.093 10 0 EEAEHO CC(C)OCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001480187501 1099781758 /nfs/dbraw/zinc/78/17/58/1099781758.db2.gz CUQKTWXIFQVPSB-ZWKOTPCHSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)OCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001480187501 1099781767 /nfs/dbraw/zinc/78/17/67/1099781767.db2.gz CUQKTWXIFQVPSB-ZWKOTPCHSA-N 1 3 339.524 2.065 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001480233413 1099859510 /nfs/dbraw/zinc/85/95/10/1099859510.db2.gz AEZRNXWXQBXXLN-SOUVJXGZSA-N 1 3 331.451 2.391 10 0 EEAEHO CCOCC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001480368163 1100143201 /nfs/dbraw/zinc/14/32/01/1100143201.db2.gz SIABLTZCKLXAFZ-LJQANCHMSA-N 1 3 347.503 2.369 10 0 EEAEHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]CC1CC(F)(F)C1 ZINC001480547484 1100382645 /nfs/dbraw/zinc/38/26/45/1100382645.db2.gz AWNIMGBBEJKIPH-KBPBESRZSA-N 1 3 331.451 2.391 10 0 EEAEHO C[C@H]1CCCC[C@]1(C[NH2+]CCCO)NC(=O)CN(C)CC(C)(C)C ZINC001495320781 1101025425 /nfs/dbraw/zinc/02/54/25/1101025425.db2.gz LKZRINMXKVDEET-QFBILLFUSA-N 1 3 341.540 2.001 10 0 EEAEHO Cc1cccnc1C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001495348712 1101060961 /nfs/dbraw/zinc/06/09/61/1101060961.db2.gz YPLSUZKGOXAGTL-IEBWSBKVSA-N 1 3 344.503 2.203 10 0 EEAEHO Cc1ncc(CNC[C@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)s1 ZINC001496481072 1101072084 /nfs/dbraw/zinc/07/20/84/1101072084.db2.gz NDMITCVNWLYJGA-CJNGLKHVSA-N 1 3 338.521 2.120 10 0 EEAEHO CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1ccccn1 ZINC001496599217 1101200462 /nfs/dbraw/zinc/20/04/62/1101200462.db2.gz QSMUUEFIICKKHG-XYJFISCASA-N 1 3 332.492 2.042 10 0 EEAEHO CC(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1ccccn1 ZINC001496599217 1101200471 /nfs/dbraw/zinc/20/04/71/1101200471.db2.gz QSMUUEFIICKKHG-XYJFISCASA-N 1 3 332.492 2.042 10 0 EEAEHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]CC[C@@H]1CCOC1 ZINC001495667361 1101408964 /nfs/dbraw/zinc/40/89/64/1101408964.db2.gz QKZOAFJRMHRBAN-DLBZAZTESA-N 1 3 339.524 2.019 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCO)cc1 ZINC001447091061 1101972830 /nfs/dbraw/zinc/97/28/30/1101972830.db2.gz UVBHAXVYCSWKKM-LPHOPBHVSA-N 1 3 347.503 2.209 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCc2cnccc2C)CC[N@@H+]1C ZINC001497383115 1102412205 /nfs/dbraw/zinc/41/22/05/1102412205.db2.gz FWYBNESQPNXBGY-ZWKOTPCHSA-N 1 3 332.492 2.058 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCc2cnccc2C)CC[N@H+]1C ZINC001497383115 1102412213 /nfs/dbraw/zinc/41/22/13/1102412213.db2.gz FWYBNESQPNXBGY-ZWKOTPCHSA-N 1 3 332.492 2.058 10 0 EEAEHO CCCN(C)CC(=O)N1CCC(C)([NH2+]CC2CC(OCC)C2)CC1 ZINC001447565205 1102871182 /nfs/dbraw/zinc/87/11/82/1102871182.db2.gz MUSNGEOLLLEEOR-UHFFFAOYSA-N 1 3 339.524 2.114 10 0 EEAEHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001499107320 1108599802 /nfs/dbraw/zinc/59/98/02/1108599802.db2.gz QJXLIYLDSNIBCJ-CABCVRRESA-N 1 3 331.451 2.344 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001499107320 1108599807 /nfs/dbraw/zinc/59/98/07/1108599807.db2.gz QJXLIYLDSNIBCJ-CABCVRRESA-N 1 3 331.451 2.344 10 0 EEAEHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCC2(NC/C=C/Cl)CC2)C1 ZINC001499352705 1112246879 /nfs/dbraw/zinc/24/68/79/1112246879.db2.gz SFAFWEXCSAIXLX-KZJSRBBCSA-N 1 3 331.863 2.190 10 0 EEAEHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC2(NC/C=C/Cl)CC2)C1 ZINC001499352705 1112246877 /nfs/dbraw/zinc/24/68/77/1112246877.db2.gz SFAFWEXCSAIXLX-KZJSRBBCSA-N 1 3 331.863 2.190 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([N@H+](CCCF)CC2CC2)CC1 ZINC001499530531 1112346724 /nfs/dbraw/zinc/34/67/24/1112346724.db2.gz SJUJQWCUMVEOCM-UHFFFAOYSA-N 1 3 327.488 2.389 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC([N@@H+](CCCF)CC2CC2)CC1 ZINC001499530531 1112346726 /nfs/dbraw/zinc/34/67/26/1112346726.db2.gz SJUJQWCUMVEOCM-UHFFFAOYSA-N 1 3 327.488 2.389 10 0 EEAEHO CC[C@H](F)CN1CC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001499615615 1112413245 /nfs/dbraw/zinc/41/32/45/1112413245.db2.gz FLTNTZGYSPUTIC-WMZOPIPTSA-N 1 3 327.488 2.391 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001501150094 1113216065 /nfs/dbraw/zinc/21/60/65/1113216065.db2.gz LKHILQCBKZWPCG-RDJZCZTQSA-N 1 3 335.467 2.352 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCCO)cc1 ZINC001501681828 1113432704 /nfs/dbraw/zinc/43/27/04/1113432704.db2.gz RJKYNWDNVVAMOM-QFBILLFUSA-N 1 3 347.503 2.210 10 0 EEAEHO O=C(CC[NH+]1CCCCC1)NCC1(NCc2cncc(F)c2)CCC1 ZINC001502028993 1113564193 /nfs/dbraw/zinc/56/41/93/1113564193.db2.gz HZLAXDKCQQFEBA-UHFFFAOYSA-N 1 3 348.466 2.225 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001507163339 1115142242 /nfs/dbraw/zinc/14/22/42/1115142242.db2.gz UNVKCIVQUNTKLY-QWHCGFSZSA-N 1 3 338.323 2.347 10 0 EEAEHO C[C@H](C(=O)NC[C@@H](CO)[NH2+]CCCC(C)(C)C)N1CCCCCC1 ZINC001507244962 1115160295 /nfs/dbraw/zinc/16/02/95/1115160295.db2.gz YPXXMRKSJPNISZ-SJORKVTESA-N 1 3 341.540 2.144 10 0 EEAEHO Cc1ncoc1CNCC[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001568068522 1124274405 /nfs/dbraw/zinc/27/44/05/1124274405.db2.gz YPHMVKMMXGAYHS-DOTOQJQBSA-N 1 3 348.491 2.043 10 0 EEAEHO Cc1ncoc1CNCC[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001568068522 1124274407 /nfs/dbraw/zinc/27/44/07/1124274407.db2.gz YPHMVKMMXGAYHS-DOTOQJQBSA-N 1 3 348.491 2.043 10 0 EEAEHO CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2ccns2)CC1)N(C)C ZINC001568094358 1124298004 /nfs/dbraw/zinc/29/80/04/1124298004.db2.gz ZVKOMAALEJHIJB-INIZCTEOSA-N 1 3 338.521 2.202 10 0 EEAEHO CC[C@@H](C(=O)N1CCC(CC[NH2+]CC[C@@H]2CCCO2)CC1)N(C)C ZINC001568093984 1124298275 /nfs/dbraw/zinc/29/82/75/1124298275.db2.gz MOINWVBOAGQJMH-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001568300146 1124411141 /nfs/dbraw/zinc/41/11/41/1124411141.db2.gz LDLSUSHMZVKMHW-PSYXSKQDSA-N 1 3 333.879 2.388 10 0 EEAEHO Cc1oncc1CNCC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568385913 1124455917 /nfs/dbraw/zinc/45/59/17/1124455917.db2.gz QJDSXVOEWZMTKN-FHLIZLRMSA-N 1 3 348.491 2.184 10 0 EEAEHO Cc1oncc1CNCC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568385913 1124455922 /nfs/dbraw/zinc/45/59/22/1124455922.db2.gz QJDSXVOEWZMTKN-FHLIZLRMSA-N 1 3 348.491 2.184 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001568929389 1124961056 /nfs/dbraw/zinc/96/10/56/1124961056.db2.gz ZIHXIUIYORBEIP-UEKDZROGSA-N 1 3 344.503 2.415 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001568929389 1124961059 /nfs/dbraw/zinc/96/10/59/1124961059.db2.gz ZIHXIUIYORBEIP-UEKDZROGSA-N 1 3 344.503 2.415 10 0 EEAEHO C[N@H+](CCOc1cccc(CN[C@H]2CCCOC2)c1)C1CCOCC1 ZINC000163967533 539537839 /nfs/dbraw/zinc/53/78/39/539537839.db2.gz BGWKLOWCMKYWTE-SFHVURJKSA-N 1 3 348.487 2.445 10 0 EEAEHO C[N@@H+](CCOc1cccc(CN[C@H]2CCCOC2)c1)C1CCOCC1 ZINC000163967533 539537845 /nfs/dbraw/zinc/53/78/45/539537845.db2.gz BGWKLOWCMKYWTE-SFHVURJKSA-N 1 3 348.487 2.445 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000119079893 292240855 /nfs/dbraw/zinc/24/08/55/292240855.db2.gz BSZXBKDYBKTWIJ-GOEBONIOSA-N 1 3 339.430 2.020 10 0 EEAEHO C[C@@H]1CCCN(CCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245935220 160258353 /nfs/dbraw/zinc/25/83/53/160258353.db2.gz SACSHXIXDPFSNF-QZTJIDSGSA-N 1 3 336.524 2.378 10 0 EEAEHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1C[C@H](C)N(C3CC3)C1)CC2 ZINC000246409796 160277753 /nfs/dbraw/zinc/27/77/53/160277753.db2.gz UQBHEVDBKFVNPG-ONIAQPFYSA-N 1 3 334.508 2.268 10 0 EEAEHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1C[C@H](C)N(C3CC3)C1)CC2 ZINC000246409796 160277755 /nfs/dbraw/zinc/27/77/55/160277755.db2.gz UQBHEVDBKFVNPG-ONIAQPFYSA-N 1 3 334.508 2.268 10 0 EEAEHO CC(C)N(C(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1)C(C)C ZINC000247109530 160310805 /nfs/dbraw/zinc/31/08/05/160310805.db2.gz IXYBOABKZNNWFZ-DLBZAZTESA-N 1 3 341.540 2.045 10 0 EEAEHO CSC1(C[NH2+]Cc2cnc3nc(C)cc(C)n23)CCN(C)CC1 ZINC000353231758 274174833 /nfs/dbraw/zinc/17/48/33/274174833.db2.gz VFBPXLXTKQOWLL-UHFFFAOYSA-N 1 3 333.505 2.263 10 0 EEAEHO CSC1(CNCc2cnc3nc(C)cc(C)n23)CC[NH+](C)CC1 ZINC000353231758 274174835 /nfs/dbraw/zinc/17/48/35/274174835.db2.gz VFBPXLXTKQOWLL-UHFFFAOYSA-N 1 3 333.505 2.263 10 0 EEAEHO C[C@H](C(=O)N(C)C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291395766 275301299 /nfs/dbraw/zinc/30/12/99/275301299.db2.gz DEVTXPSJKGQVMH-QGZVFWFLSA-N 1 3 329.488 2.451 10 0 EEAEHO COc1ccc([C@@H](CN(C)C)NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000291744022 275335842 /nfs/dbraw/zinc/33/58/42/275335842.db2.gz YXGWQWXEGLTPIC-GOSISDBHSA-N 1 3 333.476 2.146 10 0 EEAEHO C[C@@H](N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)C1C[NH2+]C1 ZINC000423157450 278375934 /nfs/dbraw/zinc/37/59/34/278375934.db2.gz VBZFMUKHLLWLLJ-BXUZGUMPSA-N 1 3 332.398 2.341 10 0 EEAEHO C[C@@H]([NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)C1CNC1 ZINC000423157450 278375935 /nfs/dbraw/zinc/37/59/35/278375935.db2.gz VBZFMUKHLLWLLJ-BXUZGUMPSA-N 1 3 332.398 2.341 10 0 EEAEHO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000270593276 279286262 /nfs/dbraw/zinc/28/62/62/279286262.db2.gz YNHDVPCTHUAQIJ-MSOLQXFVSA-N 1 3 330.476 2.169 10 0 EEAEHO CC[N@H+]1CCCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000270593276 279286263 /nfs/dbraw/zinc/28/62/63/279286263.db2.gz YNHDVPCTHUAQIJ-MSOLQXFVSA-N 1 3 330.476 2.169 10 0 EEAEHO CC(C)C[C@H]([NH3+])CN1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000414739865 313074200 /nfs/dbraw/zinc/07/42/00/313074200.db2.gz KQUVGGDLJDYODR-SFHVURJKSA-N 1 3 348.535 2.122 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000416928253 313363390 /nfs/dbraw/zinc/36/33/90/313363390.db2.gz ULTLHYICTDJHKR-JJRVBVJISA-N 1 3 336.480 2.113 10 0 EEAEHO N[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000418447649 313816403 /nfs/dbraw/zinc/81/64/03/313816403.db2.gz ITMUFLLMMPJJMY-MSOLQXFVSA-N 1 3 330.476 2.346 10 0 EEAEHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000441304877 315180234 /nfs/dbraw/zinc/18/02/34/315180234.db2.gz SPKZKPIKNIUXMS-NVXWUHKLSA-N 1 3 336.524 2.375 10 0 EEAEHO CN1CCN(CC[NH2+]Cc2cc(-c3ccccc3)n[nH]2)CC1(C)C ZINC000441331175 315181461 /nfs/dbraw/zinc/18/14/61/315181461.db2.gz NTYKNOUERZEFKM-UHFFFAOYSA-N 1 3 327.476 2.192 10 0 EEAEHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000575027442 320080756 /nfs/dbraw/zinc/08/07/56/320080756.db2.gz OMQVXPYWCLRMNZ-PKOBYXMFSA-N 1 3 336.524 2.282 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)COC2CCC([NH3+])CC2)N(C)C)cc1 ZINC000575799080 320115178 /nfs/dbraw/zinc/11/51/78/320115178.db2.gz QYMKYKBRHJFAOQ-CTWPCTMYSA-N 1 3 347.503 2.254 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000580532891 324081246 /nfs/dbraw/zinc/08/12/46/324081246.db2.gz NOCPBMVJUQOOSD-BJLQDIEVSA-N 1 3 342.487 2.217 10 0 EEAEHO C[C@]1(CNC(=O)N2CCC[C@@H](C[NH3+])C2)CCCN1Cc1ccccc1 ZINC000581478529 324261748 /nfs/dbraw/zinc/26/17/48/324261748.db2.gz VZZATBQBZGYHSR-AZUAARDMSA-N 1 3 344.503 2.421 10 0 EEAEHO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc(OCCN(C)C)c1 ZINC000358316372 465055060 /nfs/dbraw/zinc/05/50/60/465055060.db2.gz IFGCTOIBUZCGDL-DFFLPILJSA-N 1 3 326.506 2.435 10 0 EEAEHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000091333266 462873962 /nfs/dbraw/zinc/87/39/62/462873962.db2.gz YZRZDAOFQRVOAQ-LSDHHAIUSA-N 1 3 339.505 2.105 10 0 EEAEHO C[C@H](CNC(=O)N[C@@H](CN(C)C)c1ccccc1)C[NH+]1CCCC1 ZINC000121174689 463091996 /nfs/dbraw/zinc/09/19/96/463091996.db2.gz KSLCFFWIKDXHEO-AEFFLSMTSA-N 1 3 332.492 2.320 10 0 EEAEHO CN(C)[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000170829092 463715434 /nfs/dbraw/zinc/71/54/34/463715434.db2.gz WYBBEAIMGDJMQE-GOSISDBHSA-N 1 3 330.476 2.128 10 0 EEAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCN(C)Cc1ccccc1 ZINC000246430677 464582818 /nfs/dbraw/zinc/58/28/18/464582818.db2.gz SZECAHBKLJRMJP-MOPGFXCFSA-N 1 3 344.503 2.387 10 0 EEAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCN(C)Cc1ccccc1 ZINC000246430677 464582823 /nfs/dbraw/zinc/58/28/23/464582823.db2.gz SZECAHBKLJRMJP-MOPGFXCFSA-N 1 3 344.503 2.387 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000246489959 464591885 /nfs/dbraw/zinc/59/18/85/464591885.db2.gz RQGJJWCWCOTGAT-XDNAFOTISA-N 1 3 338.540 2.479 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000246489959 464591890 /nfs/dbraw/zinc/59/18/90/464591890.db2.gz RQGJJWCWCOTGAT-XDNAFOTISA-N 1 3 338.540 2.479 10 0 EEAEHO Cn1cc([C@H](O)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000272419452 464601888 /nfs/dbraw/zinc/60/18/88/464601888.db2.gz NDXDZGZXPBCRJZ-IYWMVGAKSA-N 1 3 340.471 2.239 10 0 EEAEHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000349805497 466250487 /nfs/dbraw/zinc/25/04/87/466250487.db2.gz YAIKQQCIDDKKQF-DFGXFYAUSA-N 1 3 336.524 2.231 10 0 EEAEHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000349805497 466250492 /nfs/dbraw/zinc/25/04/92/466250492.db2.gz YAIKQQCIDDKKQF-DFGXFYAUSA-N 1 3 336.524 2.231 10 0 EEAEHO CC(C)C[C@H](N[C@@H](C)c1ccc2c(c1)OCO2)C(=O)NCC[NH+](C)C ZINC000347193501 466467214 /nfs/dbraw/zinc/46/72/14/466467214.db2.gz IXQYEAWTHJOKON-HOCLYGCPSA-N 1 3 349.475 2.158 10 0 EEAEHO COc1ccc(CN(C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1OC(F)F ZINC000662250257 472043143 /nfs/dbraw/zinc/04/31/43/472043143.db2.gz CKXVEMHIKAZDIX-CYBMUJFWSA-N 1 3 342.386 2.249 10 0 EEAEHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417042044 466762732 /nfs/dbraw/zinc/76/27/32/466762732.db2.gz WGXHBAIZGPWQNT-GBESFXJTSA-N 1 3 342.487 2.217 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)N(C)C)cc1 ZINC000417318964 466832800 /nfs/dbraw/zinc/83/28/00/466832800.db2.gz ZWINQZGYSGCWFY-OTWHNJEPSA-N 1 3 344.503 2.239 10 0 EEAEHO CSc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000411760592 466895336 /nfs/dbraw/zinc/89/53/36/466895336.db2.gz SMPPXPBIHROWLF-YJBOKZPZSA-N 1 3 336.501 2.176 10 0 EEAEHO CSc1ccc(OC[C@@H](O)C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000411760592 466895341 /nfs/dbraw/zinc/89/53/41/466895341.db2.gz SMPPXPBIHROWLF-YJBOKZPZSA-N 1 3 336.501 2.176 10 0 EEAEHO CCn1nncc1C[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000417879699 466967524 /nfs/dbraw/zinc/96/75/24/466967524.db2.gz BJXULWHHAMQETF-UHFFFAOYSA-N 1 3 343.475 2.308 10 0 EEAEHO C[C@H]1[C@@H](NC(=O)N2CCN3CCC2CC3)CC[N@@H+]1Cc1ccccc1 ZINC000377026199 467001325 /nfs/dbraw/zinc/00/13/25/467001325.db2.gz ACMMRSRSTWCYMG-LPHOPBHVSA-N 1 3 342.487 2.139 10 0 EEAEHO C[C@H]1[C@@H](NC(=O)N2CCN3CCC2CC3)CC[N@H+]1Cc1ccccc1 ZINC000377026199 467001328 /nfs/dbraw/zinc/00/13/28/467001328.db2.gz ACMMRSRSTWCYMG-LPHOPBHVSA-N 1 3 342.487 2.139 10 0 EEAEHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418035798 467030778 /nfs/dbraw/zinc/03/07/78/467030778.db2.gz BDUGPKJPYHHYAO-YVWKXTFCSA-N 1 3 344.503 2.420 10 0 EEAEHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000418429781 467109371 /nfs/dbraw/zinc/10/93/71/467109371.db2.gz OAGRLMLWUOKNRE-WMZOPIPTSA-N 1 3 330.476 2.060 10 0 EEAEHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000418429781 467109374 /nfs/dbraw/zinc/10/93/74/467109374.db2.gz OAGRLMLWUOKNRE-WMZOPIPTSA-N 1 3 330.476 2.060 10 0 EEAEHO OCCCCCN1CCCC2(CCC[N@H+](CCCCCO)C2)C1 ZINC000377730885 467128864 /nfs/dbraw/zinc/12/88/64/467128864.db2.gz ZZKWHUSINJFQPM-UHFFFAOYSA-N 1 3 326.525 2.490 10 0 EEAEHO OCCCCCN1CCCC2(CCC[N@@H+](CCCCCO)C2)C1 ZINC000377730885 467128865 /nfs/dbraw/zinc/12/88/65/467128865.db2.gz ZZKWHUSINJFQPM-UHFFFAOYSA-N 1 3 326.525 2.490 10 0 EEAEHO CCN1CCC([N@@H+]2CCCN([C@H](C)c3cnc(C)cn3)CC2)CC1 ZINC000420975291 467524853 /nfs/dbraw/zinc/52/48/53/467524853.db2.gz FNMRWJDPGGDYIU-QGZVFWFLSA-N 1 3 331.508 2.338 10 0 EEAEHO CCN1CCC([N@H+]2CCCN([C@H](C)c3cnc(C)cn3)CC2)CC1 ZINC000420975291 467524855 /nfs/dbraw/zinc/52/48/55/467524855.db2.gz FNMRWJDPGGDYIU-QGZVFWFLSA-N 1 3 331.508 2.338 10 0 EEAEHO CC[NH+]1CCC(N2CCCN([C@H](C)c3cnc(C)cn3)CC2)CC1 ZINC000420975291 467524860 /nfs/dbraw/zinc/52/48/60/467524860.db2.gz FNMRWJDPGGDYIU-QGZVFWFLSA-N 1 3 331.508 2.338 10 0 EEAEHO CC(C)[C@@H](CC(F)(F)F)NCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000445895946 467584793 /nfs/dbraw/zinc/58/47/93/467584793.db2.gz WOOQRBUQBCXGBD-CQSZACIVSA-N 1 3 335.414 2.296 10 0 EEAEHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000516749679 468044686 /nfs/dbraw/zinc/04/46/86/468044686.db2.gz IXFPNUVIZKLIRB-FZCLSBEQSA-N 1 3 330.476 2.119 10 0 EEAEHO Cc1nc(C(C)C)sc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531357526 468046826 /nfs/dbraw/zinc/04/68/26/468046826.db2.gz TWIZWRDYUPBYHC-UHFFFAOYSA-N 1 3 326.510 2.140 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000570617971 468665740 /nfs/dbraw/zinc/66/57/40/468665740.db2.gz FJMDHXDVXMGGLX-ZAWLATJESA-N 1 3 344.503 2.194 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000571624141 468813349 /nfs/dbraw/zinc/81/33/49/468813349.db2.gz APVCRQUKTWGBQV-AWEZNQCLSA-N 1 3 334.439 2.467 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000571624141 468813353 /nfs/dbraw/zinc/81/33/53/468813353.db2.gz APVCRQUKTWGBQV-AWEZNQCLSA-N 1 3 334.439 2.467 10 0 EEAEHO C[N@@H+]1CC[C@H](NCc2ccc(NS(C)(=O)=O)cc2)[C@H]2CCC[C@H]21 ZINC000560515477 468823715 /nfs/dbraw/zinc/82/37/15/468823715.db2.gz UNIVMEURLFOFPS-IXDOHACOSA-N 1 3 337.489 2.021 10 0 EEAEHO C[N@H+]1CC[C@H](NCc2ccc(NS(C)(=O)=O)cc2)[C@H]2CCC[C@H]21 ZINC000560515477 468823718 /nfs/dbraw/zinc/82/37/18/468823718.db2.gz UNIVMEURLFOFPS-IXDOHACOSA-N 1 3 337.489 2.021 10 0 EEAEHO C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000617016344 469573579 /nfs/dbraw/zinc/57/35/79/469573579.db2.gz HENWPDARJGLRRT-OAHLLOKOSA-N 1 3 333.476 2.230 10 0 EEAEHO C[C@H]1CC[C@@H](NCc2ccccc2N(C)C2CCN(C)CC2)C[NH2+]1 ZINC000629660591 469601404 /nfs/dbraw/zinc/60/14/04/469601404.db2.gz WFMCSBBQPTXOHC-FUHWJXTLSA-N 1 3 330.520 2.447 10 0 EEAEHO C[C@H]1CN(c2ccc(C[NH2+][C@@H]3CCN(C)C(C)(C)C3)cn2)CCO1 ZINC000623358007 469633660 /nfs/dbraw/zinc/63/36/60/469633660.db2.gz LKPPIGWYGDOTDI-DOTOQJQBSA-N 1 3 332.492 2.269 10 0 EEAEHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCN2CCc3ccccc3C2)C1 ZINC000617344808 469650765 /nfs/dbraw/zinc/65/07/65/469650765.db2.gz PVSXFHMCCLBHKI-SFHVURJKSA-N 1 3 329.488 2.424 10 0 EEAEHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)CCN2CCc3ccccc3C2)C1 ZINC000617344808 469650772 /nfs/dbraw/zinc/65/07/72/469650772.db2.gz PVSXFHMCCLBHKI-SFHVURJKSA-N 1 3 329.488 2.424 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc2c1OCC2 ZINC000626689841 469683168 /nfs/dbraw/zinc/68/31/68/469683168.db2.gz WABPDUHKZWMRPT-AWEZNQCLSA-N 1 3 334.464 2.015 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc2c1OCC2 ZINC000626689841 469683170 /nfs/dbraw/zinc/68/31/70/469683170.db2.gz WABPDUHKZWMRPT-AWEZNQCLSA-N 1 3 334.464 2.015 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc2ccncc21 ZINC000617502170 469699692 /nfs/dbraw/zinc/69/96/92/469699692.db2.gz FSISFWSOBBYJSB-HNNXBMFYSA-N 1 3 328.460 2.237 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc2ccncc21 ZINC000617502170 469699697 /nfs/dbraw/zinc/69/96/97/469699697.db2.gz FSISFWSOBBYJSB-HNNXBMFYSA-N 1 3 328.460 2.237 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Br)o1 ZINC000617503462 469702116 /nfs/dbraw/zinc/70/21/16/469702116.db2.gz KHALQZCLPCDOFG-NSHDSACASA-N 1 3 346.269 2.044 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Br)o1 ZINC000617503462 469702119 /nfs/dbraw/zinc/70/21/19/469702119.db2.gz KHALQZCLPCDOFG-NSHDSACASA-N 1 3 346.269 2.044 10 0 EEAEHO Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504277 469702542 /nfs/dbraw/zinc/70/25/42/469702542.db2.gz NSQCELCXAFVEFW-HNNXBMFYSA-N 1 3 344.503 2.407 10 0 EEAEHO Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504277 469702544 /nfs/dbraw/zinc/70/25/44/469702544.db2.gz NSQCELCXAFVEFW-HNNXBMFYSA-N 1 3 344.503 2.407 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000617505486 469703405 /nfs/dbraw/zinc/70/34/05/469703405.db2.gz FBJJJHPBNOJIID-LRQRDZAKSA-N 1 3 343.515 2.279 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000617505486 469703407 /nfs/dbraw/zinc/70/34/07/469703407.db2.gz FBJJJHPBNOJIID-LRQRDZAKSA-N 1 3 343.515 2.279 10 0 EEAEHO COc1cc(Cl)ccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504918 469704452 /nfs/dbraw/zinc/70/44/52/469704452.db2.gz PDVRYGINOOLGRN-ZDUSSCGKSA-N 1 3 341.883 2.350 10 0 EEAEHO COc1cc(Cl)ccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504918 469704456 /nfs/dbraw/zinc/70/44/56/469704456.db2.gz PDVRYGINOOLGRN-ZDUSSCGKSA-N 1 3 341.883 2.350 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000617507865 469708164 /nfs/dbraw/zinc/70/81/64/469708164.db2.gz LZFBLCDVDAQQPH-MJBXVCDLSA-N 1 3 337.430 2.353 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000617507865 469708166 /nfs/dbraw/zinc/70/81/66/469708166.db2.gz LZFBLCDVDAQQPH-MJBXVCDLSA-N 1 3 337.430 2.353 10 0 EEAEHO C[C@@H](CNC(=O)NC[C@@H]1CCN1C1CCCCC1)C[NH+]1CCCC1 ZINC000623713052 469741145 /nfs/dbraw/zinc/74/11/45/469741145.db2.gz RHQDJXAHYXCJPM-WMZOPIPTSA-N 1 3 336.524 2.425 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000626995375 469781512 /nfs/dbraw/zinc/78/15/12/469781512.db2.gz SVOVNSBJBYDCBJ-MXSMSXNCSA-N 1 3 330.476 2.089 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C[NH2+]1 ZINC000626995001 469781696 /nfs/dbraw/zinc/78/16/96/469781696.db2.gz NJFHTPLIJNEBHP-RWQQGDIJSA-N 1 3 344.503 2.479 10 0 EEAEHO CCN(C(=O)[C@H]1CCCN(Cc2cccnc2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000617929561 469843149 /nfs/dbraw/zinc/84/31/49/469843149.db2.gz MDEDHGJVYYOPJO-RBUKOAKNSA-N 1 3 344.503 2.236 10 0 EEAEHO CCN(C(=O)[C@H]1CCCN(Cc2cccnc2)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617929561 469843152 /nfs/dbraw/zinc/84/31/52/469843152.db2.gz MDEDHGJVYYOPJO-RBUKOAKNSA-N 1 3 344.503 2.236 10 0 EEAEHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(-c2ccc(OCC(N)=O)cc2)cc1 ZINC000622044837 470153430 /nfs/dbraw/zinc/15/34/30/470153430.db2.gz UTFSKLWQEVSMFB-HUUCEWRRSA-N 1 3 341.455 2.433 10 0 EEAEHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CNCCC1(F)F ZINC000649281415 470524793 /nfs/dbraw/zinc/52/47/93/470524793.db2.gz GTBNXJUYAGLYKR-INIZCTEOSA-N 1 3 337.414 2.143 10 0 EEAEHO CN1CCN(Cc2ccc(NC(=O)[C@H]3[NH2+]CCCC3(C)C)cc2)CC1 ZINC000649350282 470556294 /nfs/dbraw/zinc/55/62/94/470556294.db2.gz YXBYJTZEKSIHFS-GOSISDBHSA-N 1 3 344.503 2.151 10 0 EEAEHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000640941587 471129853 /nfs/dbraw/zinc/12/98/53/471129853.db2.gz RVGOBLUMWKAMJL-HKUYNNGSSA-N 1 3 344.503 2.210 10 0 EEAEHO CCN(C(=O)NCCC1(C[NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000652237668 471260532 /nfs/dbraw/zinc/26/05/32/471260532.db2.gz YTLCOHCFPILFHY-GOSISDBHSA-N 1 3 344.503 2.421 10 0 EEAEHO CO[C@H](C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1)[C@H]1CCOC1 ZINC000658075168 471264645 /nfs/dbraw/zinc/26/46/45/471264645.db2.gz WLDXHLGHIYSHBN-HHXXYDBFSA-N 1 3 336.476 2.329 10 0 EEAEHO Cc1nn(C)cc1[C@H](C)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139491 471270055 /nfs/dbraw/zinc/27/00/55/471270055.db2.gz MAPLNGKMANSFTJ-KSSFIOAISA-N 1 3 328.460 2.146 10 0 EEAEHO Cc1nn(C)cc1[C@H](C)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658139491 471270058 /nfs/dbraw/zinc/27/00/58/471270058.db2.gz MAPLNGKMANSFTJ-KSSFIOAISA-N 1 3 328.460 2.146 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)Nc3n[nH]cc3C3CC3)CC2)CC1 ZINC000655157447 471274689 /nfs/dbraw/zinc/27/46/89/471274689.db2.gz DUEXLCSSCHOFET-UHFFFAOYSA-N 1 3 345.491 2.422 10 0 EEAEHO CN(CCN1CCCCC1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000652611270 471314315 /nfs/dbraw/zinc/31/43/15/471314315.db2.gz CPMRLNRBLMIVMX-UHFFFAOYSA-N 1 3 334.439 2.421 10 0 EEAEHO CCN(C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC000663656225 471462004 /nfs/dbraw/zinc/46/20/04/471462004.db2.gz WWGAQEMSPOSEHP-KZNAEPCWSA-N 1 3 338.540 2.480 10 0 EEAEHO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659032494 471475176 /nfs/dbraw/zinc/47/51/76/471475176.db2.gz QSFRMBCALWTJEG-CRAIPNDOSA-N 1 3 346.475 2.343 10 0 EEAEHO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659032497 471476228 /nfs/dbraw/zinc/47/62/28/471476228.db2.gz QSFRMBCALWTJEG-YJBOKZPZSA-N 1 3 346.475 2.343 10 0 EEAEHO Cc1ncc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C2CC2)n1 ZINC000667003437 471620028 /nfs/dbraw/zinc/62/00/28/471620028.db2.gz QIIAGGKBPWNANM-ZDUSSCGKSA-N 1 3 348.495 2.056 10 0 EEAEHO Cc1ncc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C2CC2)n1 ZINC000667003437 471620033 /nfs/dbraw/zinc/62/00/33/471620033.db2.gz QIIAGGKBPWNANM-ZDUSSCGKSA-N 1 3 348.495 2.056 10 0 EEAEHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659429886 471623216 /nfs/dbraw/zinc/62/32/16/471623216.db2.gz XZHMPOSCWPYOKL-IAGOWNOFSA-N 1 3 336.455 2.109 10 0 EEAEHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659454168 471635148 /nfs/dbraw/zinc/63/51/48/471635148.db2.gz YCCSXBPFASMPSX-GUDVDZBRSA-N 1 3 344.503 2.306 10 0 EEAEHO C[C@H]1C[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CN1C1CC1 ZINC000659467406 471642901 /nfs/dbraw/zinc/64/29/01/471642901.db2.gz MAIBPIHWNFUDBZ-RGIVZKHGSA-N 1 3 342.487 2.057 10 0 EEAEHO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000661399391 471741852 /nfs/dbraw/zinc/74/18/52/471741852.db2.gz SRZWPCVCGICYBD-MSOLQXFVSA-N 1 3 344.503 2.433 10 0 EEAEHO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000661399391 471741856 /nfs/dbraw/zinc/74/18/56/471741856.db2.gz SRZWPCVCGICYBD-MSOLQXFVSA-N 1 3 344.503 2.433 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1ccsc1 ZINC000664838007 471876170 /nfs/dbraw/zinc/87/61/70/471876170.db2.gz HLYOWLOXLCVDLC-KBPBESRZSA-N 1 3 326.510 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EEAEHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000895266435 684411069 /nfs/dbraw/zinc/41/10/69/684411069.db2.gz LDSXTLIHRHGNCE-HNAYVOBHSA-N 1 3 348.466 2.331 10 0 EEAEHO CN(C)Cc1ccc(-c2noc(-c3ccn(CCC[NH3+])n3)n2)cc1 ZINC000904081579 694286628 /nfs/dbraw/zinc/28/66/28/694286628.db2.gz NJAUFJOKYGKVLW-UHFFFAOYSA-N 1 3 326.404 2.011 10 0 EEAEHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccnn2CC2CCC2)CC1 ZINC000924653542 693080210 /nfs/dbraw/zinc/08/02/10/693080210.db2.gz AAHAGZWIYHNMBC-KRWDZBQOSA-N 1 3 333.524 2.361 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(CO)cc3)CC2)CC1 ZINC000898591588 693381710 /nfs/dbraw/zinc/38/17/10/693381710.db2.gz PVZFTKHIPBVOBX-UHFFFAOYSA-N 1 3 345.487 2.314 10 0 EEAEHO C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CN(Cc2ccccc2)C1 ZINC001485508994 1191819783 /nfs/dbraw/zinc/81/97/83/1191819783.db2.gz GFSCBISQFBWZEF-QFBILLFUSA-N 1 3 329.488 2.498 10 0 EEAEHO C[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CN(Cc2ccccc2)C1 ZINC001485508994 1191819784 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CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2cnoc2C)C1 ZINC001484551559 1191410645 /nfs/dbraw/zinc/41/06/45/1191410645.db2.gz LPLIYXCWNCMTNM-SJLPKXTDSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ccc(CNC2(CNC(=O)C3(C[NH+](C)C)CC3)CCC2)c(C)n1 ZINC001484648906 1191455016 /nfs/dbraw/zinc/45/50/16/1191455016.db2.gz NVYFQWYEPGJRQO-UHFFFAOYSA-N 1 3 344.503 2.169 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CCOC(C)C)C2)C1)N(C)C ZINC001484830133 1191537857 /nfs/dbraw/zinc/53/78/57/1191537857.db2.gz KQMLKSAIMCIGTR-IEBWSBKVSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCOC(C)C)C2)C1)N(C)C ZINC001484830133 1191537859 /nfs/dbraw/zinc/53/78/59/1191537859.db2.gz KQMLKSAIMCIGTR-IEBWSBKVSA-N 1 3 339.524 2.066 10 0 EEAEHO C[C@H]1CC[C@@H](CN2CC=C(CNC(=O)CC[NH+]3CCCCC3)CC2)O1 ZINC001486520539 1194041949 /nfs/dbraw/zinc/04/19/49/1194041949.db2.gz DVHXBFFKZXGMRJ-HKUYNNGSSA-N 1 3 349.519 2.178 10 0 EEAEHO COC(=O)c1cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1C ZINC000872145877 1198054391 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EEAEHO Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001491772517 1330250342 /nfs/dbraw/zinc/25/03/42/1330250342.db2.gz MKKCNOCKJLBCQF-IBGZPJMESA-N 1 3 331.504 2.458 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCCC(F)(F)F)C1 ZINC001491791047 1330257034 /nfs/dbraw/zinc/25/70/34/1330257034.db2.gz KAYVCIDVPCPBBZ-UONOGXRCSA-N 1 3 335.414 2.251 10 0 EEAEHO Cc1ccncc1CN(C)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001316860002 1331938603 /nfs/dbraw/zinc/93/86/03/1331938603.db2.gz SQOIASRIMYGWCE-MJGOQNOKSA-N 1 3 346.519 2.449 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1cn(C(C)C)nc1C ZINC001317593296 1332314303 /nfs/dbraw/zinc/31/43/03/1332314303.db2.gz SJYCANRSFZWOLR-SFHVURJKSA-N 1 3 349.523 2.195 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1cn(C(C)C)nc1C ZINC001317593296 1332314304 /nfs/dbraw/zinc/31/43/04/1332314304.db2.gz SJYCANRSFZWOLR-SFHVURJKSA-N 1 3 349.523 2.195 10 0 EEAEHO COc1ccc(C)cc1C[NH2+]CCN(C)C(=O)[C@H]1CCCCN1C ZINC001317600590 1332319388 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CN(C)C1(C(=O)N(CC[NH2+]CC2CC2)Cc2ccccc2)CCC1 ZINC001325693620 1333942234 /nfs/dbraw/zinc/94/22/34/1333942234.db2.gz LHUXLXARRYCQGM-UHFFFAOYSA-N 1 3 329.488 2.499 10 0 EEAEHO CC/C=C\CC[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001327033560 1334207746 /nfs/dbraw/zinc/20/77/46/1334207746.db2.gz CPHDHZUWPMSMDY-QWPQOLDESA-N 1 3 339.524 2.138 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)[C@H](C[NH2+]CCC(F)(F)F)C2CC2)C1 ZINC001331326934 1334997192 /nfs/dbraw/zinc/99/71/92/1334997192.db2.gz VSHXIIYSFOLJGC-TZMCWYRMSA-N 1 3 335.414 2.107 10 0 EEAEHO C[C@@H]1C[C@H]([NH2+]CCOc2ccccc2)CN1C(=O)CN(C)C1CCC1 ZINC001331996674 1335700385 /nfs/dbraw/zinc/70/03/85/1335700385.db2.gz NEJIYMBGYVHUPJ-SJORKVTESA-N 1 3 345.487 2.129 10 0 EEAEHO CO[C@H](CN1CCCC[C@@H]1CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001480323000 1337992916 /nfs/dbraw/zinc/99/29/16/1337992916.db2.gz GRWHDLDEYVLEJW-RTBURBONSA-N 1 3 347.503 2.297 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)CC[NH2+]CCc1ccccc1Cl ZINC001567611922 1342794077 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/nfs/dbraw/zinc/21/94/72/320219472.db2.gz QQFXQOUZOCVVDS-UHFFFAOYSA-N 1 3 329.488 2.413 10 0 EEAEHO C[C@H](CNC(=O)N[C@H](CN(C)C)c1ccccc1)C[NH+]1CCCC1 ZINC000121174878 463092299 /nfs/dbraw/zinc/09/22/99/463092299.db2.gz KSLCFFWIKDXHEO-SJLPKXTDSA-N 1 3 332.492 2.320 10 0 EEAEHO COc1c(C)cnc(C[N@@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)c1C ZINC000136065424 463216522 /nfs/dbraw/zinc/21/65/22/463216522.db2.gz DNSPAQAMMNPARZ-GOSISDBHSA-N 1 3 346.519 2.309 10 0 EEAEHO COc1c(C)cnc(C[N@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)c1C ZINC000136065424 463216527 /nfs/dbraw/zinc/21/65/27/463216527.db2.gz DNSPAQAMMNPARZ-GOSISDBHSA-N 1 3 346.519 2.309 10 0 EEAEHO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000170855482 463724057 /nfs/dbraw/zinc/72/40/57/463724057.db2.gz CTBRNDLJNRKLTH-FUHWJXTLSA-N 1 3 333.451 2.200 10 0 EEAEHO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261727286 463841595 /nfs/dbraw/zinc/84/15/95/463841595.db2.gz GRXMTJRMRJOTOA-ZFWWWQNUSA-N 1 3 335.414 2.109 10 0 EEAEHO CN(Cc1nccs1)[C@@H]1CC12CCN(C[C@]1(C)CC[NH2+]C1)CC2 ZINC000261929043 463902941 /nfs/dbraw/zinc/90/29/41/463902941.db2.gz CNDGJEMSVMAXFF-NVXWUHKLSA-N 1 3 334.533 2.429 10 0 EEAEHO c1nn(Cc2ccccc2)cc1CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261959031 463910534 /nfs/dbraw/zinc/91/05/34/463910534.db2.gz PFYSGJHOMAUNQJ-XUVXKRRUSA-N 1 3 340.471 2.178 10 0 EEAEHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000171774901 463923947 /nfs/dbraw/zinc/92/39/47/463923947.db2.gz LVJWXECSBSQCME-DLBZAZTESA-N 1 3 336.524 2.377 10 0 EEAEHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000171774901 463923953 /nfs/dbraw/zinc/92/39/53/463923953.db2.gz LVJWXECSBSQCME-DLBZAZTESA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C2)CCN1CC(C)(C)O ZINC000298565904 465433978 /nfs/dbraw/zinc/43/39/78/465433978.db2.gz WNGFSGAYVGSUAM-HKUYNNGSSA-N 1 3 331.504 2.038 10 0 EEAEHO C[C@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1CC(C)(C)O ZINC000298565904 465433980 /nfs/dbraw/zinc/43/39/80/465433980.db2.gz WNGFSGAYVGSUAM-HKUYNNGSSA-N 1 3 331.504 2.038 10 0 EEAEHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000247980008 464719301 /nfs/dbraw/zinc/71/93/01/464719301.db2.gz HHGKGKGWWNOGTN-XGXHKWSGSA-N 1 3 344.503 2.413 10 0 EEAEHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000247980008 464719306 /nfs/dbraw/zinc/71/93/06/464719306.db2.gz HHGKGKGWWNOGTN-XGXHKWSGSA-N 1 3 344.503 2.413 10 0 EEAEHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000348212908 465493178 /nfs/dbraw/zinc/49/31/78/465493178.db2.gz ZNESRNUTNNTITA-KZNAEPCWSA-N 1 3 336.524 2.377 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000360988213 465686360 /nfs/dbraw/zinc/68/63/60/465686360.db2.gz XNTQHPJVKSMLRE-YTQUADARSA-N 1 3 329.488 2.498 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000360988213 465686367 /nfs/dbraw/zinc/68/63/67/465686367.db2.gz XNTQHPJVKSMLRE-YTQUADARSA-N 1 3 329.488 2.498 10 0 EEAEHO CCCN1CCN(c2ccccc2CN2C[C@@H]3CCC[NH2+][C@@H]3C2)CC1 ZINC000353710806 466087628 /nfs/dbraw/zinc/08/76/28/466087628.db2.gz UBEQQEONETVNRD-AZUAARDMSA-N 1 3 342.531 2.402 10 0 EEAEHO C[N@H+]1CC[C@H](NCCn2cc(Br)cn2)[C@@H]2CCC[C@@H]21 ZINC000367710210 466509907 /nfs/dbraw/zinc/50/99/07/466509907.db2.gz WGEDHJSPMOTLLW-IHRRRGAJSA-N 1 3 327.270 2.108 10 0 EEAEHO C[N@@H+]1CC[C@H](NCCn2cc(Br)cn2)[C@@H]2CCC[C@@H]21 ZINC000367710210 466509901 /nfs/dbraw/zinc/50/99/01/466509901.db2.gz WGEDHJSPMOTLLW-IHRRRGAJSA-N 1 3 327.270 2.108 10 0 EEAEHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417042046 466762209 /nfs/dbraw/zinc/76/22/09/466762209.db2.gz WGXHBAIZGPWQNT-IPMKNSEASA-N 1 3 342.487 2.217 10 0 EEAEHO COc1cccc(CN(C[C@H]2CCCO2)C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662252995 472043201 /nfs/dbraw/zinc/04/32/01/472043201.db2.gz FSWJQUSFRXKFDG-MOPGFXCFSA-N 1 3 346.471 2.197 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417200921 466800507 /nfs/dbraw/zinc/80/05/07/466800507.db2.gz VDXHCKZEIHVXNE-RBUKOAKNSA-N 1 3 346.519 2.366 10 0 EEAEHO C[NH2+]C[C@H](C)CNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417734317 466919804 /nfs/dbraw/zinc/91/98/04/466919804.db2.gz JYILTUXYXZYMNH-DZKIICNBSA-N 1 3 338.521 2.286 10 0 EEAEHO C[C@H]1C[C@H](NC(=O)N2CCN3CCC2CC3)C[N@@H+]1Cc1ccccc1 ZINC000376918267 466966838 /nfs/dbraw/zinc/96/68/38/466966838.db2.gz NOKDUPPFZWVAQT-WMZOPIPTSA-N 1 3 342.487 2.139 10 0 EEAEHO C[C@H]1C[C@H](NC(=O)N2CCN3CCC2CC3)C[N@H+]1Cc1ccccc1 ZINC000376918267 466966842 /nfs/dbraw/zinc/96/68/42/466966842.db2.gz NOKDUPPFZWVAQT-WMZOPIPTSA-N 1 3 342.487 2.139 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)[C@@H]1c1ccccc1 ZINC000417947021 466998998 /nfs/dbraw/zinc/99/89/98/466998998.db2.gz RSJOXIGEMTXSSG-HCXYKTFWSA-N 1 3 342.487 2.073 10 0 EEAEHO CN1CC[C@@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000417951508 466999857 /nfs/dbraw/zinc/99/98/57/466999857.db2.gz WZPZVBHLSSCPCJ-MSOLQXFVSA-N 1 3 342.487 2.217 10 0 EEAEHO C[NH2+][C@H]1CCCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000418049701 467034307 /nfs/dbraw/zinc/03/43/07/467034307.db2.gz YKVNFELZQUJZIT-AZUAARDMSA-N 1 3 344.503 2.435 10 0 EEAEHO C[C@]1(CNC(=O)NC[C@@H]([NH3+])C2CC2)CCCN1Cc1ccccc1 ZINC000418048850 467034595 /nfs/dbraw/zinc/03/45/95/467034595.db2.gz WUVSZUXTZOXDKL-IEBWSBKVSA-N 1 3 330.476 2.078 10 0 EEAEHO N[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000418443313 467111536 /nfs/dbraw/zinc/11/15/36/467111536.db2.gz FMKSTNHRCKSJNN-ZWKOTPCHSA-N 1 3 330.476 2.346 10 0 EEAEHO CC(C)C[C@H]([NH3+])CNCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000415116928 467493691 /nfs/dbraw/zinc/49/36/91/467493691.db2.gz ILCUNQGLUNMNEL-INIZCTEOSA-N 1 3 334.460 2.427 10 0 EEAEHO CC[N@H+](CCNC(=O)Nc1cc(C)nn1C1CCN(C)CC1)C1CC1 ZINC000431103661 467496214 /nfs/dbraw/zinc/49/62/14/467496214.db2.gz QOJVJAXOUWPMPL-UHFFFAOYSA-N 1 3 348.495 2.064 10 0 EEAEHO CC[N@@H+](CCNC(=O)Nc1cc(C)nn1C1CCN(C)CC1)C1CC1 ZINC000431103661 467496217 /nfs/dbraw/zinc/49/62/17/467496217.db2.gz QOJVJAXOUWPMPL-UHFFFAOYSA-N 1 3 348.495 2.064 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458170216 467782235 /nfs/dbraw/zinc/78/22/35/467782235.db2.gz OSKFQFFMPCMALG-INIZCTEOSA-N 1 3 333.476 2.089 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458170216 467782238 /nfs/dbraw/zinc/78/22/38/467782238.db2.gz OSKFQFFMPCMALG-INIZCTEOSA-N 1 3 333.476 2.089 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)N2CCCC2)cc1 ZINC000519590140 468178028 /nfs/dbraw/zinc/17/80/28/468178028.db2.gz ZRLBIJNBQZKAHS-NEWSRXKRSA-N 1 3 344.503 2.429 10 0 EEAEHO C[C@H](CNC(=O)c1conc1C(C)(C)N)[N@H+](C)Cc1ccccc1 ZINC000519786860 468211867 /nfs/dbraw/zinc/21/18/67/468211867.db2.gz YMWGSYNCIQIKIX-CYBMUJFWSA-N 1 3 330.432 2.119 10 0 EEAEHO C[C@H](CNC(=O)c1conc1C(C)(C)N)[N@@H+](C)Cc1ccccc1 ZINC000519786860 468211872 /nfs/dbraw/zinc/21/18/72/468211872.db2.gz YMWGSYNCIQIKIX-CYBMUJFWSA-N 1 3 330.432 2.119 10 0 EEAEHO C[N@H+](CCNC(=O)N1CCc2ccccc2[C@@H]1CN)C1CCCC1 ZINC000567821996 468217167 /nfs/dbraw/zinc/21/71/67/468217167.db2.gz UBSHFQNJZSDAAD-SFHVURJKSA-N 1 3 330.476 2.129 10 0 EEAEHO C[N@@H+](CCNC(=O)N1CCc2ccccc2[C@@H]1CN)C1CCCC1 ZINC000567821996 468217172 /nfs/dbraw/zinc/21/71/72/468217172.db2.gz UBSHFQNJZSDAAD-SFHVURJKSA-N 1 3 330.476 2.129 10 0 EEAEHO CN(C)C[C@@](C)(O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000567851992 468223169 /nfs/dbraw/zinc/22/31/69/468223169.db2.gz FBHOBPYZBYOKQD-MOPGFXCFSA-N 1 3 331.504 2.086 10 0 EEAEHO C[C@@]1(CNC(=O)NC[C@@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000561203443 468875966 /nfs/dbraw/zinc/87/59/66/468875966.db2.gz ZLFHUXPUGHJFRY-HKUYNNGSSA-N 1 3 330.476 2.092 10 0 EEAEHO NC[C@@H]1c2ccccc2CCN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000584468600 468879024 /nfs/dbraw/zinc/87/90/24/468879024.db2.gz ZOCDWBDPQSHBGR-FAFZWHIHSA-N 1 3 342.487 2.271 10 0 EEAEHO CN1CC[C@H]([NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1(C)C ZINC000623427764 469654429 /nfs/dbraw/zinc/65/44/29/469654429.db2.gz MBCMTEARWLHIBZ-AABGKKOBSA-N 1 3 345.531 2.332 10 0 EEAEHO C[N@@H+]1CC[C@H](N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1(C)C ZINC000623427764 469654433 /nfs/dbraw/zinc/65/44/33/469654433.db2.gz MBCMTEARWLHIBZ-AABGKKOBSA-N 1 3 345.531 2.332 10 0 EEAEHO C[N@H+]1CC[C@H](N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1(C)C ZINC000623427764 469654436 /nfs/dbraw/zinc/65/44/36/469654436.db2.gz MBCMTEARWLHIBZ-AABGKKOBSA-N 1 3 345.531 2.332 10 0 EEAEHO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623477221 469668412 /nfs/dbraw/zinc/66/84/12/469668412.db2.gz CPKNHTGRNHITFV-GDBMZVCRSA-N 1 3 328.460 2.247 10 0 EEAEHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000626979048 469775493 /nfs/dbraw/zinc/77/54/93/469775493.db2.gz OMACSAMBELZONN-JQHSSLGASA-N 1 3 330.476 2.263 10 0 EEAEHO C[C@H]1CC[C@@H](NC(=O)NC(C)(C)CN(C)Cc2ccccc2)C[NH2+]1 ZINC000627203421 469844066 /nfs/dbraw/zinc/84/40/66/469844066.db2.gz WMJADJJPTNHUSV-DOTOQJQBSA-N 1 3 332.492 2.337 10 0 EEAEHO C[C@H](N[C@@H]1CCN(C2CCC2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000624342279 469910794 /nfs/dbraw/zinc/91/07/94/469910794.db2.gz BCFAGWRGHLQABQ-HNAYVOBHSA-N 1 3 345.487 2.431 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCC2(N3CCSCC3)CCCC2)CC[N@@H+]1C ZINC000630733391 469972514 /nfs/dbraw/zinc/97/25/14/469972514.db2.gz WQMXPPADTJHYCR-JKSUJKDBSA-N 1 3 339.549 2.195 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NCC2(N3CCSCC3)CCCC2)CC[N@H+]1C ZINC000630733391 469972519 /nfs/dbraw/zinc/97/25/19/469972519.db2.gz WQMXPPADTJHYCR-JKSUJKDBSA-N 1 3 339.549 2.195 10 0 EEAEHO C[C@@H]1CN(CCCC[NH2+]Cc2c3c(nn2C)CCCC3)C[C@H](C)O1 ZINC000631075288 470062685 /nfs/dbraw/zinc/06/26/85/470062685.db2.gz PAQBJZUNMDQVNH-IYBDPMFKSA-N 1 3 334.508 2.278 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)COC2(C)CNC2)cc1 ZINC000649288189 470530313 /nfs/dbraw/zinc/53/03/13/470530313.db2.gz ATXLEFUABATQMD-OAHLLOKOSA-N 1 3 331.460 2.378 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)COC2(C)CNC2)cc1 ZINC000649288189 470530319 /nfs/dbraw/zinc/53/03/19/470530319.db2.gz ATXLEFUABATQMD-OAHLLOKOSA-N 1 3 331.460 2.378 10 0 EEAEHO c1ccc(CN2CC[C@@H]3OCCN(CC[NH+]4CCCCC4)[C@H]3C2)cc1 ZINC000649750310 470684570 /nfs/dbraw/zinc/68/45/70/470684570.db2.gz KIENLOGARMXYSW-SFTDATJTSA-N 1 3 343.515 2.448 10 0 EEAEHO CCCN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CCN(C)C1 ZINC000645198247 471172833 /nfs/dbraw/zinc/17/28/33/471172833.db2.gz PIQDGRFEMARAQN-RTBURBONSA-N 1 3 346.519 2.285 10 0 EEAEHO Cc1cc2ncc([C@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C)c(C)n2n1 ZINC000658109328 471266911 /nfs/dbraw/zinc/26/69/11/471266911.db2.gz WBYDRPODIOKXGZ-HOTGVXAUSA-N 1 3 346.523 2.269 10 0 EEAEHO C[NH2+]Cc1ccccc1CNC(=O)N1CCc2ccccc2[C@H]1CN ZINC000652292023 471268430 /nfs/dbraw/zinc/26/84/30/471268430.db2.gz TVRKSJWHAMHUJP-LJQANCHMSA-N 1 3 338.455 2.174 10 0 EEAEHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCOCCOc2ccccc2)C1 ZINC000652361329 471279119 /nfs/dbraw/zinc/27/91/19/471279119.db2.gz DDNCDLDTEJMOOG-MISYRCLQSA-N 1 3 348.487 2.443 10 0 EEAEHO Cc1cc(CN)cc(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000659025476 471472973 /nfs/dbraw/zinc/47/29/73/471472973.db2.gz RNKRKKMNZFXIST-QGZVFWFLSA-N 1 3 334.464 2.028 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccccc1 ZINC000655909663 471531576 /nfs/dbraw/zinc/53/15/76/471531576.db2.gz CJHCHZHIVZLFOY-KGLIPLIRSA-N 1 3 346.397 2.258 10 0 EEAEHO Cc1ccc2cc(CN3CCC(C(=O)NCC[NH+](C)C)CC3)[nH]c2c1 ZINC000667561949 471823206 /nfs/dbraw/zinc/82/32/06/471823206.db2.gz MLLADRXNGRLFPE-UHFFFAOYSA-N 1 3 342.487 2.366 10 0 EEAEHO OC1(C[NH2+][C@H]2CO[C@H](C3CC3)C2)CCN(Cc2ccccc2)CC1 ZINC000668240558 472055745 /nfs/dbraw/zinc/05/57/45/472055745.db2.gz LVWPIQUUMQMYSC-MOPGFXCFSA-N 1 3 330.472 2.171 10 0 EEAEHO NC[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000662669073 472196390 /nfs/dbraw/zinc/19/63/90/472196390.db2.gz UTMBHMLHXJKKRR-FUHWJXTLSA-N 1 3 333.451 2.391 10 0 EEAEHO NC[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000662669073 472196395 /nfs/dbraw/zinc/19/63/95/472196395.db2.gz UTMBHMLHXJKKRR-FUHWJXTLSA-N 1 3 333.451 2.391 10 0 EEAEHO Cn1ncc2c1CCC[C@H]2NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658141142 485570616 /nfs/dbraw/zinc/57/06/16/485570616.db2.gz RIAYTMBGOODXSJ-IEBWSBKVSA-N 1 3 340.471 2.154 10 0 EEAEHO Cn1ncc2c1CCC[C@H]2NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658141142 485570623 /nfs/dbraw/zinc/57/06/23/485570623.db2.gz RIAYTMBGOODXSJ-IEBWSBKVSA-N 1 3 340.471 2.154 10 0 EEAEHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCCn4nccc43)cc2)C1 ZINC000658142059 485572304 /nfs/dbraw/zinc/57/23/04/485572304.db2.gz YLPPFVBMOGXHSH-QZTJIDSGSA-N 1 3 326.444 2.074 10 0 EEAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCCn4nccc43)cc2)C1 ZINC000658142059 485572313 /nfs/dbraw/zinc/57/23/13/485572313.db2.gz YLPPFVBMOGXHSH-QZTJIDSGSA-N 1 3 326.444 2.074 10 0 EEAEHO CSc1ccc([C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)N(C)C)cc1 ZINC000583094875 485579784 /nfs/dbraw/zinc/57/97/84/485579784.db2.gz XRAQKNMIPDEOKK-RHSMWYFYSA-N 1 3 335.517 2.469 10 0 EEAEHO CSc1ccc([C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)N(C)C)cc1 ZINC000583094875 485579791 /nfs/dbraw/zinc/57/97/91/485579791.db2.gz XRAQKNMIPDEOKK-RHSMWYFYSA-N 1 3 335.517 2.469 10 0 EEAEHO CC[C@@H](C)N1CCN(c2ncc(Br)cc2C[NH3+])CC1 ZINC000055073589 535565355 /nfs/dbraw/zinc/56/53/55/535565355.db2.gz UCVFJDPAJHWESN-LLVKDONJSA-N 1 3 327.270 2.223 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000186814267 534082749 /nfs/dbraw/zinc/08/27/49/534082749.db2.gz KXSDYMUYUMMPEH-KYJSFNMBSA-N 1 3 333.451 2.152 10 0 EEAEHO CN(C)CCNC(=S)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728446328 576501402 /nfs/dbraw/zinc/50/14/02/576501402.db2.gz RHUIPWRJCYVGNS-INIZCTEOSA-N 1 3 326.554 2.011 10 0 EEAEHO CCO[C@H](CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C)C[NH+](C)C ZINC000926957989 693042753 /nfs/dbraw/zinc/04/27/53/693042753.db2.gz DIOZIBMWJHCNMR-ARFHVFGLSA-N 1 3 343.512 2.188 10 0 EEAEHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(CN2CCCC2=O)c1 ZINC000924654610 693081743 /nfs/dbraw/zinc/08/17/43/693081743.db2.gz DIMBRCSTBQWDKO-UFRUDQCGSA-N 1 3 327.472 2.239 10 0 EEAEHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(CN2CCCC2=O)c1 ZINC000924654610 693081749 /nfs/dbraw/zinc/08/17/49/693081749.db2.gz DIMBRCSTBQWDKO-UFRUDQCGSA-N 1 3 327.472 2.239 10 0 EEAEHO C[C@@H](CCCNCc1ccncc1Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485747381 1191929825 /nfs/dbraw/zinc/92/98/25/1191929825.db2.gz BHWKZBBTVFYZES-ZFWWWQNUSA-N 1 3 338.883 2.061 10 0 EEAEHO C[C@@H](CCCNCc1ccncc1Cl)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485747381 1191929827 /nfs/dbraw/zinc/92/98/27/1191929827.db2.gz BHWKZBBTVFYZES-ZFWWWQNUSA-N 1 3 338.883 2.061 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCc3ccsc3)C2)C1 ZINC001266550106 1176817121 /nfs/dbraw/zinc/81/71/21/1176817121.db2.gz VMMNMOGSNOBDOF-WBVHZDCISA-N 1 3 335.517 2.213 10 0 EEAEHO Cc1cccc(C)c1OCCC[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001691277959 1177811488 /nfs/dbraw/zinc/81/14/88/1177811488.db2.gz OAZITXYRSCDGPJ-GOSISDBHSA-N 1 3 347.503 2.215 10 0 EEAEHO CN(CCNCc1cccnc1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001691346199 1177942024 /nfs/dbraw/zinc/94/20/24/1177942024.db2.gz SRIAUAZIWAZEFB-SFHVURJKSA-N 1 3 330.476 2.037 10 0 EEAEHO CN(CCNCc1cccnc1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001691346199 1177942033 /nfs/dbraw/zinc/94/20/33/1177942033.db2.gz SRIAUAZIWAZEFB-SFHVURJKSA-N 1 3 330.476 2.037 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)NCCC[C@H]2CCCN2Cc2ccc(F)cn2)C1 ZINC001267181765 1178443525 /nfs/dbraw/zinc/44/35/25/1178443525.db2.gz NGFOOSMPYFAUTG-YJBOKZPZSA-N 1 3 348.466 2.033 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)NCCC[C@H]2CCCN2Cc2ccc(F)cn2)C1 ZINC001267181765 1178443531 /nfs/dbraw/zinc/44/35/31/1178443531.db2.gz NGFOOSMPYFAUTG-YJBOKZPZSA-N 1 3 348.466 2.033 10 0 EEAEHO Cc1ncsc1CNCCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001267437782 1179010915 /nfs/dbraw/zinc/01/09/15/1179010915.db2.gz XUCAOPNGMAPTJJ-OAHLLOKOSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1ncsc1CNCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001267437782 1179010923 /nfs/dbraw/zinc/01/09/23/1179010923.db2.gz XUCAOPNGMAPTJJ-OAHLLOKOSA-N 1 3 338.521 2.262 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCN2CCOC(C)C)C1 ZINC001481052158 1179633400 /nfs/dbraw/zinc/63/34/00/1179633400.db2.gz KKQWXXKXLGCJSF-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCN2CCOC(C)C)C1 ZINC001481052158 1179633405 /nfs/dbraw/zinc/63/34/05/1179633405.db2.gz KKQWXXKXLGCJSF-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CN(C(=O)CCCC[NH+](C)C)[C@H]1CCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001267776116 1180501867 /nfs/dbraw/zinc/50/18/67/1180501867.db2.gz FEZROFAIAUEEBY-IRXDYDNUSA-N 1 3 339.524 2.066 10 0 EEAEHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCCCC(F)(F)F)C1 ZINC001267776825 1180506723 /nfs/dbraw/zinc/50/67/23/1180506723.db2.gz GGRHFVWKUURGDX-ZIAGYGMSSA-N 1 3 335.414 2.203 10 0 EEAEHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCCCC(F)(F)F)C1 ZINC001267776825 1180506727 /nfs/dbraw/zinc/50/67/27/1180506727.db2.gz GGRHFVWKUURGDX-ZIAGYGMSSA-N 1 3 335.414 2.203 10 0 EEAEHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(CCNC/C(Cl)=C\Cl)CC2)C1 ZINC001267919153 1180763526 /nfs/dbraw/zinc/76/35/26/1180763526.db2.gz RCDGVAJVAYSWME-MFYHJKBNSA-N 1 3 348.318 2.475 10 0 EEAEHO C[N@H+]1CC[C@@H](C(=O)N2CCC(CCNC/C(Cl)=C\Cl)CC2)C1 ZINC001267919153 1180763532 /nfs/dbraw/zinc/76/35/32/1180763532.db2.gz RCDGVAJVAYSWME-MFYHJKBNSA-N 1 3 348.318 2.475 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CCNCc1cc(C)no1 ZINC001268162733 1181878843 /nfs/dbraw/zinc/87/88/43/1181878843.db2.gz OEMOUZPHUYUJRO-INIZCTEOSA-N 1 3 336.480 2.186 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CCNCc1cc(C)no1 ZINC001268162733 1181878849 /nfs/dbraw/zinc/87/88/49/1181878849.db2.gz OEMOUZPHUYUJRO-INIZCTEOSA-N 1 3 336.480 2.186 10 0 EEAEHO COCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001268178611 1181961215 /nfs/dbraw/zinc/96/12/15/1181961215.db2.gz GCSDCDAMJLSORN-QFBILLFUSA-N 1 3 347.503 2.225 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCC(F)(F)F)CCC1 ZINC001268280557 1182147226 /nfs/dbraw/zinc/14/72/26/1182147226.db2.gz SXIZIKWLMWAUCV-STQMWFEESA-N 1 3 335.414 2.298 10 0 EEAEHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001481881333 1182865697 /nfs/dbraw/zinc/86/56/97/1182865697.db2.gz JNPLXRSLZXKLPG-IBGZPJMESA-N 1 3 331.504 2.500 10 0 EEAEHO C[C@@H]1CCCC[C@]1(CNCc1ccccn1)NC(=O)CC[NH+](C)C ZINC001481962357 1183035027 /nfs/dbraw/zinc/03/50/27/1183035027.db2.gz QUVMSBJYVDGPTG-VQIMIIECSA-N 1 3 332.492 2.188 10 0 EEAEHO CC(C)[C@H](C(=O)NC/C=C\C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC001268587290 1183384683 /nfs/dbraw/zinc/38/46/83/1183384683.db2.gz IEIRKIBVTIZSOK-RWCKICOTSA-N 1 3 331.451 2.270 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC/C=C/C[NH2+]C/C=C/c2ccccc2)C1 ZINC001268590831 1183393923 /nfs/dbraw/zinc/39/39/23/1183393923.db2.gz JWKLPNCHIAUPII-BQFSKYADSA-N 1 3 327.472 2.304 10 0 EEAEHO O=C(N[C@H](CNCC=C(Cl)Cl)C1CC1)C12CCC[NH+]1CCC2 ZINC001269088743 1183949921 /nfs/dbraw/zinc/94/99/21/1183949921.db2.gz FZCDYGPUVSGPEG-CYBMUJFWSA-N 1 3 346.302 2.418 10 0 EEAEHO Cc1nocc1C[NH2+]CC[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001269765829 1184603075 /nfs/dbraw/zinc/60/30/75/1184603075.db2.gz LSLWRKJHZWKIOV-DOTOQJQBSA-N 1 3 348.491 2.043 10 0 EEAEHO CCOCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001269989122 1184767688 /nfs/dbraw/zinc/76/76/88/1184767688.db2.gz MPWDLWVOYHPDSE-APWZRJJASA-N 1 3 347.503 2.367 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001270797961 1185393507 /nfs/dbraw/zinc/39/35/07/1185393507.db2.gz UIPVFRIIJUUHAF-SWLSCSKDSA-N 1 3 336.307 2.474 10 0 EEAEHO C[C@@H](CNCc1cncs1)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001482368401 1185529160 /nfs/dbraw/zinc/52/91/60/1185529160.db2.gz PBMWKSQIIQHRFQ-AWEZNQCLSA-N 1 3 346.500 2.455 10 0 EEAEHO CCc1ccccc1CC[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001271120451 1185915434 /nfs/dbraw/zinc/91/54/34/1185915434.db2.gz HETMLQPYBYOWAA-OAHLLOKOSA-N 1 3 328.460 2.194 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)cc1 ZINC001271674043 1186366652 /nfs/dbraw/zinc/36/66/52/1186366652.db2.gz RFLUIEIJJYQNMG-FUHWJXTLSA-N 1 3 340.471 2.187 10 0 EEAEHO CCC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001691573385 1188271921 /nfs/dbraw/zinc/27/19/21/1188271921.db2.gz RKHBHOGBJKYGRT-UIZHIOIMSA-N 1 3 330.476 2.479 10 0 EEAEHO CCC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001691573385 1188271923 /nfs/dbraw/zinc/27/19/23/1188271923.db2.gz RKHBHOGBJKYGRT-UIZHIOIMSA-N 1 3 330.476 2.479 10 0 EEAEHO CCOCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001671039251 1193551270 /nfs/dbraw/zinc/55/12/70/1193551270.db2.gz LLXYLYILXIYSOX-MJGOQNOKSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001671039251 1193551272 /nfs/dbraw/zinc/55/12/72/1193551272.db2.gz LLXYLYILXIYSOX-MJGOQNOKSA-N 1 3 339.524 2.068 10 0 EEAEHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001483099026 1188475913 /nfs/dbraw/zinc/47/59/13/1188475913.db2.gz VPTFVMAXWIUHAK-FOSCPCJNSA-N 1 3 331.451 2.414 10 0 EEAEHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001483099035 1188475953 /nfs/dbraw/zinc/47/59/53/1188475953.db2.gz VPTFVMAXWIUHAK-XVWMLYKFSA-N 1 3 331.451 2.414 10 0 EEAEHO CC[C@H](C(=O)NCc1cccc2c1CC[N@H+](CCCOC)C2)N(C)C ZINC001272916862 1193603266 /nfs/dbraw/zinc/60/32/66/1193603266.db2.gz JRCYBQKCUOWOSJ-LJQANCHMSA-N 1 3 347.503 2.038 10 0 EEAEHO CC[C@H](C(=O)NCc1cccc2c1CC[N@@H+](CCCOC)C2)N(C)C ZINC001272916862 1193603267 /nfs/dbraw/zinc/60/32/67/1193603267.db2.gz JRCYBQKCUOWOSJ-LJQANCHMSA-N 1 3 347.503 2.038 10 0 EEAEHO Cc1cccnc1CN[C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001409348554 1189556577 /nfs/dbraw/zinc/55/65/77/1189556577.db2.gz DKYJGCNQJJXBHH-HZPDHXFCSA-N 1 3 332.492 2.247 10 0 EEAEHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)Cc1ccc(F)cc1 ZINC001409609031 1190101425 /nfs/dbraw/zinc/10/14/25/1190101425.db2.gz DYOLWVXFLZGUJN-ZOBUZTSGSA-N 1 3 335.467 2.493 10 0 EEAEHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)Cc1ccc(F)cc1 ZINC001409609031 1190101428 /nfs/dbraw/zinc/10/14/28/1190101428.db2.gz DYOLWVXFLZGUJN-ZOBUZTSGSA-N 1 3 335.467 2.493 10 0 EEAEHO Cc1nocc1CNCCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001483512228 1190525782 /nfs/dbraw/zinc/52/57/82/1190525782.db2.gz SKEXBAMZRQCZII-KRWDZBQOSA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1ccc(CN[C@@H]2C[C@@H](C)N(C(=O)C3(C[NH+](C)C)CC3)C2)c(C)n1 ZINC001486122118 1193687847 /nfs/dbraw/zinc/68/78/47/1193687847.db2.gz PKEVQQGQCHZFMP-CRAIPNDOSA-N 1 3 344.503 2.119 10 0 EEAEHO CC(C)[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CC(F)(F)C2)C1)N(C)C ZINC001272623794 1190936378 /nfs/dbraw/zinc/93/63/78/1190936378.db2.gz DDKWUPYZFHQTTF-ZBFHGGJFSA-N 1 3 345.478 2.446 10 0 EEAEHO COC[C@@H](C)[N@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@H](C)C1 ZINC001484557155 1191413539 /nfs/dbraw/zinc/41/35/39/1191413539.db2.gz GBIANRPMEGSGBQ-DLBZAZTESA-N 1 3 347.503 2.111 10 0 EEAEHO COC[C@@H](C)[N@@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@H](C)C1 ZINC001484557155 1191413541 /nfs/dbraw/zinc/41/35/41/1191413541.db2.gz GBIANRPMEGSGBQ-DLBZAZTESA-N 1 3 347.503 2.111 10 0 EEAEHO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)CN(C)C(C)C)CCO2)c1 ZINC001484700568 1191472283 /nfs/dbraw/zinc/47/22/83/1191472283.db2.gz OUCYQVJFLXIAFI-MJGOQNOKSA-N 1 3 347.503 2.213 10 0 EEAEHO CCOCCC[NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001484906592 1191570379 /nfs/dbraw/zinc/57/03/79/1191570379.db2.gz MBZWTQXXLANBLA-APWZRJJASA-N 1 3 347.503 2.225 10 0 EEAEHO Cc1ncsc1CN[C@@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001485230542 1191699255 /nfs/dbraw/zinc/69/92/55/1191699255.db2.gz VRYRAHMZHLJXFZ-KBPBESRZSA-N 1 3 338.521 2.310 10 0 EEAEHO C[N@H+](CCC(=O)N1C[C@H](NCCF)C(C)(C)C1)C1CCCCC1 ZINC001486239220 1193765815 /nfs/dbraw/zinc/76/58/15/1193765815.db2.gz YWBOYLGTGJCAAJ-INIZCTEOSA-N 1 3 327.488 2.437 10 0 EEAEHO C[N@@H+](CCC(=O)N1C[C@H](NCCF)C(C)(C)C1)C1CCCCC1 ZINC001486239220 1193765816 /nfs/dbraw/zinc/76/58/16/1193765816.db2.gz YWBOYLGTGJCAAJ-INIZCTEOSA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1C[N@H+](CC2CC(F)(F)C2)CC1(C)C)N(C)C ZINC001410012403 1197119032 /nfs/dbraw/zinc/11/90/32/1197119032.db2.gz DMVOREYUMQOJSC-GJZGRUSLSA-N 1 3 345.478 2.445 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1C[N@@H+](CC2CC(F)(F)C2)CC1(C)C)N(C)C ZINC001410012403 1197119034 /nfs/dbraw/zinc/11/90/34/1197119034.db2.gz DMVOREYUMQOJSC-GJZGRUSLSA-N 1 3 345.478 2.445 10 0 EEAEHO COC(=O)c1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1C ZINC000872145722 1198054602 /nfs/dbraw/zinc/05/46/02/1198054602.db2.gz WIXVXMHMBVKDAN-GOSISDBHSA-N 1 3 346.471 2.372 10 0 EEAEHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(Cc2cc3ccccc3s2)C1 ZINC000872254731 1198113346 /nfs/dbraw/zinc/11/33/46/1198113346.db2.gz CIEUVTHCDNLHOM-VNQPRFMTSA-N 1 3 343.452 2.268 10 0 EEAEHO COc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)c1 ZINC001410862661 1198513050 /nfs/dbraw/zinc/51/30/50/1198513050.db2.gz STVDOXLVLBNHGE-CRAIPNDOSA-N 1 3 333.476 2.114 10 0 EEAEHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810711085 1199689925 /nfs/dbraw/zinc/68/99/25/1199689925.db2.gz ZRHROWFOXRSZAR-KSSFIOAISA-N 1 3 327.488 2.436 10 0 EEAEHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810711085 1199689929 /nfs/dbraw/zinc/68/99/29/1199689929.db2.gz ZRHROWFOXRSZAR-KSSFIOAISA-N 1 3 327.488 2.436 10 0 EEAEHO CSC1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[NH+](C)CC1 ZINC000810881106 1199785803 /nfs/dbraw/zinc/78/58/03/1199785803.db2.gz GAYUKBLLRUTTPW-KRWDZBQOSA-N 1 3 345.528 2.143 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NCCC[NH+]2CCCCC2)cc(Cl)n1 ZINC000825985304 1199986745 /nfs/dbraw/zinc/98/67/45/1199986745.db2.gz GIIYZFYFNRYAND-OAHLLOKOSA-N 1 3 338.883 2.426 10 0 EEAEHO CC(C)(C)[C@]1(C[NH3+])CCN(CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000866703820 1201584592 /nfs/dbraw/zinc/58/45/92/1201584592.db2.gz KUZMBMYAOONGEV-FQEVSTJZSA-N 1 3 343.471 2.370 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CNCc2ccc(F)cc2)CC[N@@H+]1C ZINC001274035343 1204337876 /nfs/dbraw/zinc/33/78/76/1204337876.db2.gz KZBUKTXSUQXLOJ-JTDRTSHGSA-N 1 3 333.451 2.318 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CNCc2ccc(F)cc2)CC[N@H+]1C ZINC001274035343 1204337880 /nfs/dbraw/zinc/33/78/80/1204337880.db2.gz KZBUKTXSUQXLOJ-JTDRTSHGSA-N 1 3 333.451 2.318 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000925327435 1206097645 /nfs/dbraw/zinc/09/76/45/1206097645.db2.gz QJBSKKZBCUHZTB-NZSAHSFTSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000925327435 1206097648 /nfs/dbraw/zinc/09/76/48/1206097648.db2.gz QJBSKKZBCUHZTB-NZSAHSFTSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCN1C ZINC000925337746 1206099593 /nfs/dbraw/zinc/09/95/93/1206099593.db2.gz RGBPTPWRPLGJKS-AEFFLSMTSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@H]1[C@@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCN1C ZINC000925337749 1206099831 /nfs/dbraw/zinc/09/98/31/1206099831.db2.gz RGBPTPWRPLGJKS-WMZOPIPTSA-N 1 3 336.524 2.377 10 0 EEAEHO CC1(C)C[C@@H](N[C@@H]2CCN(C(=O)COc3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925665871 1206141606 /nfs/dbraw/zinc/14/16/06/1206141606.db2.gz NAVDBUPTFSKDMS-ZACQAIPSSA-N 1 3 345.487 2.162 10 0 EEAEHO Brc1cnn(CCN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925671325 1206141869 /nfs/dbraw/zinc/14/18/69/1206141869.db2.gz PFQCNSWFQDFDSR-HUUCEWRRSA-N 1 3 341.297 2.404 10 0 EEAEHO Brc1cnn(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC000925671325 1206141870 /nfs/dbraw/zinc/14/18/70/1206141870.db2.gz PFQCNSWFQDFDSR-HUUCEWRRSA-N 1 3 341.297 2.404 10 0 EEAEHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCCOC1CCOCC1 ZINC000925878777 1206163602 /nfs/dbraw/zinc/16/36/02/1206163602.db2.gz ZMIROZLJFIQLPJ-MJGOQNOKSA-N 1 3 332.444 2.028 10 0 EEAEHO CCN(CC(=O)Nc1cccc(OC)c1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903884232 1242311777 /nfs/dbraw/zinc/31/17/77/1242311777.db2.gz VGVPRFFQUKSXFX-ZXFUBFMLSA-N 1 3 331.460 2.486 10 0 EEAEHO O[C@H](C[C@H]1COCCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000903896954 1242376967 /nfs/dbraw/zinc/37/69/67/1242376967.db2.gz BVQYTNCFXDCPLF-FPVZDTGUSA-N 1 3 330.472 2.342 10 0 EEAEHO Cc1ncoc1CNC1CCC(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001491370775 1259012212 /nfs/dbraw/zinc/01/22/12/1259012212.db2.gz ZYOIWFMATPHQHL-UHFFFAOYSA-N 1 3 348.491 2.376 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1cnn(C(C)(C)C)c1 ZINC001491455074 1259098243 /nfs/dbraw/zinc/09/82/43/1259098243.db2.gz OBMUBIIDZZJPOM-DOTOQJQBSA-N 1 3 349.523 2.105 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1cnn(C(C)(C)C)c1 ZINC001491455074 1259098250 /nfs/dbraw/zinc/09/82/50/1259098250.db2.gz OBMUBIIDZZJPOM-DOTOQJQBSA-N 1 3 349.523 2.105 10 0 EEAEHO CCNC(=O)COc1cccc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925484941 1280971619 /nfs/dbraw/zinc/97/16/19/1280971619.db2.gz KTAKAGYTIQMOSG-HZPDHXFCSA-N 1 3 333.476 2.197 10 0 EEAEHO CC(C)[C@@H](C(=O)NC[C@H](NCc1ccccn1)C1CC1)[NH+]1CCCC1 ZINC001490740752 1291653957 /nfs/dbraw/zinc/65/39/57/1291653957.db2.gz FWQINURWTFONHE-OALUTQOASA-N 1 3 344.503 2.186 10 0 EEAEHO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC000854734955 1292933097 /nfs/dbraw/zinc/93/30/97/1292933097.db2.gz GNAGFVHFFCQAPG-ZWKOTPCHSA-N 1 3 325.472 2.143 10 0 EEAEHO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC000854734955 1292933099 /nfs/dbraw/zinc/93/30/99/1292933099.db2.gz GNAGFVHFFCQAPG-ZWKOTPCHSA-N 1 3 325.472 2.143 10 0 EEAEHO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C[C@H]3CCC(=O)O3)C2)ccn1 ZINC000856605428 1293580082 /nfs/dbraw/zinc/58/00/82/1293580082.db2.gz WXKZWDQQVPRWPN-MSOLQXFVSA-N 1 3 347.459 2.081 10 0 EEAEHO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C[C@H]3CCC(=O)O3)C2)ccn1 ZINC000856605428 1293580087 /nfs/dbraw/zinc/58/00/87/1293580087.db2.gz WXKZWDQQVPRWPN-MSOLQXFVSA-N 1 3 347.459 2.081 10 0 EEAEHO CN1CC[C@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)CC1(C)C ZINC000858089977 1294003311 /nfs/dbraw/zinc/00/33/11/1294003311.db2.gz GWMBUYNMNMLRES-HNNXBMFYSA-N 1 3 325.478 2.021 10 0 EEAEHO C[N@@H+]1CC[C@@H](NC[C@H]2COCCN2C(=O)OC(C)(C)C)CC1(C)C ZINC000858281058 1294069656 /nfs/dbraw/zinc/06/96/56/1294069656.db2.gz CKWRQELYAJGUDN-CABCVRRESA-N 1 3 341.496 2.085 10 0 EEAEHO C[N@H+]1CC[C@@H](NC[C@H]2COCCN2C(=O)OC(C)(C)C)CC1(C)C ZINC000858281058 1294069659 /nfs/dbraw/zinc/06/96/59/1294069659.db2.gz CKWRQELYAJGUDN-CABCVRRESA-N 1 3 341.496 2.085 10 0 EEAEHO CC(C)[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001278573395 1317262094 /nfs/dbraw/zinc/26/20/94/1317262094.db2.gz WDOYBXGQLNRMCO-HIFRSBDPSA-N 1 3 337.430 2.353 10 0 EEAEHO COCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001263900507 1322550974 /nfs/dbraw/zinc/55/09/74/1322550974.db2.gz JEQBTJKYJJHOBO-DLBZAZTESA-N 1 3 339.524 2.162 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001265572290 1323225225 /nfs/dbraw/zinc/22/52/25/1323225225.db2.gz DAIGBFUHDDQOPF-UPJWGTAASA-N 1 3 336.307 2.147 10 0 EEAEHO CCOCCN1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001265655804 1323300304 /nfs/dbraw/zinc/30/03/04/1323300304.db2.gz PJISRTMUMLWSAK-IBGZPJMESA-N 1 3 347.503 2.369 10 0 EEAEHO CCN(CCCNC(=O)C12CC[NH+](CC1)C2)Cc1ccccc1F ZINC001266100887 1323664823 /nfs/dbraw/zinc/66/48/23/1323664823.db2.gz LWSJAKSPWJPVLP-UHFFFAOYSA-N 1 3 333.451 2.250 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC001282487757 1325731621 /nfs/dbraw/zinc/73/16/21/1325731621.db2.gz YCPQMJVUCIPRGG-CMPLNLGQSA-N 1 3 347.290 2.281 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC001282487757 1325731623 /nfs/dbraw/zinc/73/16/23/1325731623.db2.gz YCPQMJVUCIPRGG-CMPLNLGQSA-N 1 3 347.290 2.281 10 0 EEAEHO Cc1ccccc1OCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001283941744 1326330661 /nfs/dbraw/zinc/33/06/61/1326330661.db2.gz ZPDBTLNZMJGAAH-QZTJIDSGSA-N 1 3 345.487 2.049 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCc2cccc(F)c2)C1)N(C)C ZINC001491765614 1330247317 /nfs/dbraw/zinc/24/73/17/1330247317.db2.gz IOAUZBKTYKUFQD-ZWKOTPCHSA-N 1 3 335.467 2.289 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)C[C@@H](OC)C2CCC2)C1 ZINC001491958193 1330352012 /nfs/dbraw/zinc/35/20/12/1330352012.db2.gz ARQFXFCOJCKFJM-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)C[C@@H](OC)C2CCC2)C1 ZINC001491958193 1330352017 /nfs/dbraw/zinc/35/20/17/1330352017.db2.gz ARQFXFCOJCKFJM-ZWKOTPCHSA-N 1 3 339.524 2.066 10 0 EEAEHO COCCCC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001317191845 1332123713 /nfs/dbraw/zinc/12/37/13/1332123713.db2.gz GHYQBDNVERLAIP-SFHVURJKSA-N 1 3 339.524 2.116 10 0 EEAEHO Cc1ncc(CNCC[C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001320561414 1332910707 /nfs/dbraw/zinc/91/07/07/1332910707.db2.gz GDLPDTSXPAENQQ-LSDHHAIUSA-N 1 3 336.480 2.232 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CCOCC)C1 ZINC001323641873 1333506987 /nfs/dbraw/zinc/50/69/87/1333506987.db2.gz LGBBOYHXWACGQB-ROUUACIJSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H]1CC[N@@H+](CCOCC)C1 ZINC001323641873 1333506989 /nfs/dbraw/zinc/50/69/89/1333506989.db2.gz LGBBOYHXWACGQB-ROUUACIJSA-N 1 3 339.524 2.068 10 0 EEAEHO C[NH+](C)CCCC(=O)N1CCC[C@H]1CNCc1ccnc(Cl)c1 ZINC001324220562 1333637769 /nfs/dbraw/zinc/63/77/69/1333637769.db2.gz KJKKJYVXJGFREF-HNNXBMFYSA-N 1 3 338.883 2.157 10 0 EEAEHO CCOCC[NH+]1CCC2(CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001328509822 1334470976 /nfs/dbraw/zinc/47/09/76/1334470976.db2.gz OHTJPMGESQWNPN-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001328960949 1334557156 /nfs/dbraw/zinc/55/71/56/1334557156.db2.gz KLGJNQNSAPIOOG-UHFFFAOYSA-N 1 3 338.883 2.060 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)CN2CC[C@H](C)C2)s1 ZINC001668214856 1355900750 /nfs/dbraw/zinc/90/07/50/1355900750.db2.gz QNPJKUVANOSVIQ-QWHCGFSZSA-N 1 3 338.521 2.086 10 0 EEAEHO COCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001500265193 1342122637 /nfs/dbraw/zinc/12/26/37/1342122637.db2.gz PTQWPIOYDVXOGK-PKOBYXMFSA-N 1 3 339.524 2.258 10 0 EEAEHO COCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001500265193 1342122639 /nfs/dbraw/zinc/12/26/39/1342122639.db2.gz PTQWPIOYDVXOGK-PKOBYXMFSA-N 1 3 339.524 2.258 10 0 EEAEHO COCC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001567250157 1342719137 /nfs/dbraw/zinc/71/91/37/1342719137.db2.gz QFZJLZQUDLYWAH-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO COCC[N@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001567250157 1342719141 /nfs/dbraw/zinc/71/91/41/1342719141.db2.gz QFZJLZQUDLYWAH-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CCNCc3cnoc3C)C2)CC[N@@H+]1C ZINC001569981289 1342987569 /nfs/dbraw/zinc/98/75/69/1342987569.db2.gz GNKRDABFBUVLOP-RYQLBKOJSA-N 1 3 348.491 2.042 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CCNCc3cnoc3C)C2)CC[N@H+]1C ZINC001569981289 1342987571 /nfs/dbraw/zinc/98/75/71/1342987571.db2.gz GNKRDABFBUVLOP-RYQLBKOJSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1ccncc1C[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001569983873 1342987971 /nfs/dbraw/zinc/98/79/71/1342987971.db2.gz KXUGQAOAVSARIR-QGZVFWFLSA-N 1 3 344.503 2.203 10 0 EEAEHO COCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001676924854 1357242091 /nfs/dbraw/zinc/24/20/91/1357242091.db2.gz BQMBLPRFIVFAJE-IRXDYDNUSA-N 1 3 339.524 2.162 10 0 EEAEHO CC(C)COCC[NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001661926122 1354724187 /nfs/dbraw/zinc/72/41/87/1354724187.db2.gz RFVWMJAUCXKYEK-KRWDZBQOSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]CCc1c(F)cccc1F ZINC001667060017 1355642249 /nfs/dbraw/zinc/64/22/49/1355642249.db2.gz YSJOJXMJTFYHFK-CQSZACIVSA-N 1 3 341.446 2.284 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCOc1ccccc1C)N(C)C ZINC001671367987 1356332450 /nfs/dbraw/zinc/33/24/50/1356332450.db2.gz BVQDPKXDEOEUDT-ZWKOTPCHSA-N 1 3 347.503 2.295 10 0 EEAEHO C[C@]1(C[NH2+]C/C=C/c2ccccc2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001671790364 1356415299 /nfs/dbraw/zinc/41/52/99/1356415299.db2.gz QUVJDGXYEIGRHX-MUPIXQSSSA-N 1 3 338.455 2.494 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001671805035 1356418290 /nfs/dbraw/zinc/41/82/90/1356418290.db2.gz KUWLFDXNVDXRHO-PKOBYXMFSA-N 1 3 339.524 2.116 10 0 EEAEHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCCc1ccccc1 ZINC001672314840 1356499413 /nfs/dbraw/zinc/49/94/13/1356499413.db2.gz DLXRBZVBJLBFOP-WMZOPIPTSA-N 1 3 340.471 2.269 10 0 EEAEHO CC(C)OCCC[NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001674804404 1356899051 /nfs/dbraw/zinc/89/90/51/1356899051.db2.gz GBGAKMLNDYPAIH-UHFFFAOYSA-N 1 3 336.480 2.127 10 0 EEAEHO O=C(NC1(CNCCF)CCCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001675185488 1356943672 /nfs/dbraw/zinc/94/36/72/1356943672.db2.gz XXMXAJJYNISRJX-HOTGVXAUSA-N 1 3 325.472 2.382 10 0 EEAEHO O=C(NC1(CNCCF)CCCCC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001675185488 1356943674 /nfs/dbraw/zinc/94/36/74/1356943674.db2.gz XXMXAJJYNISRJX-HOTGVXAUSA-N 1 3 325.472 2.382 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC[C@@H]1CCCCO1 ZINC001699553678 1405392329 /nfs/dbraw/zinc/39/23/29/1405392329.db2.gz FNXGQOOVZNPCNG-ZWKOTPCHSA-N 1 3 339.524 2.258 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)cc2)CC1 ZINC000846674225 790366993 /nfs/dbraw/zinc/36/69/93/790366993.db2.gz KTUQPCDUAYXNBK-MOPGFXCFSA-N 1 3 342.487 2.298 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711276710 788583890 /nfs/dbraw/zinc/58/38/90/788583890.db2.gz BQSJLOYXFUNUNF-WMZOPIPTSA-N 1 3 329.488 2.355 10 0 EEAEHO CC(C)[C@@H](C(=O)OC[C@H]1CN(C(C)C)CCO1)[NH+]1CCCCC1 ZINC000789773091 808210341 /nfs/dbraw/zinc/21/03/41/808210341.db2.gz OSAPUQSHIUSEKC-SJORKVTESA-N 1 3 326.481 2.149 10 0 EEAEHO CCO[C@H](C[NH+]1CCC(N(C)C(=O)CN(C)C(C)C)CC1)C1CC1 ZINC001436700534 1088164570 /nfs/dbraw/zinc/16/45/70/1088164570.db2.gz MZYDJICHFVBHSW-GOSISDBHSA-N 1 3 339.524 2.065 10 0 EEAEHO C[C@@H](F)CCN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001436728352 1088195977 /nfs/dbraw/zinc/19/59/77/1088195977.db2.gz BVAPDUFHYMBVEP-HZPDHXFCSA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)OCCN1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001437029823 1088842994 /nfs/dbraw/zinc/84/29/94/1088842994.db2.gz CBJPBRBFESRTAU-ROUUACIJSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)OCCN1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001437029823 1088843021 /nfs/dbraw/zinc/84/30/21/1088843021.db2.gz CBJPBRBFESRTAU-ROUUACIJSA-N 1 3 339.524 2.257 10 0 EEAEHO C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)NCc1cncc(F)c1 ZINC001437210835 1089289762 /nfs/dbraw/zinc/28/97/62/1089289762.db2.gz DOFLKUFEBVEBFY-CABCVRRESA-N 1 3 336.455 2.080 10 0 EEAEHO CO[C@@H](C)CN[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001437883032 1090458078 /nfs/dbraw/zinc/45/80/78/1090458078.db2.gz UVHLRFKQSNLZEG-FUHWJXTLSA-N 1 3 347.503 2.343 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1sccc1Cl ZINC001438373765 1090853228 /nfs/dbraw/zinc/85/32/28/1090853228.db2.gz UWTSFHSUPMUTBW-NEPJUHHUSA-N 1 3 329.897 2.338 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1sccc1Cl ZINC001438373765 1090853235 /nfs/dbraw/zinc/85/32/35/1090853235.db2.gz UWTSFHSUPMUTBW-NEPJUHHUSA-N 1 3 329.897 2.338 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNCc2cnccc2C)CC[N@@H+]1C ZINC001438653716 1091140704 /nfs/dbraw/zinc/14/07/04/1091140704.db2.gz OGMZIZNMCINCKQ-BPQIPLTHSA-N 1 3 332.492 2.057 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNCc2cnccc2C)CC[N@H+]1C ZINC001438653716 1091140708 /nfs/dbraw/zinc/14/07/08/1091140708.db2.gz OGMZIZNMCINCKQ-BPQIPLTHSA-N 1 3 332.492 2.057 10 0 EEAEHO C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)CN1CC[C@H](C)C1 ZINC001445433061 1091190998 /nfs/dbraw/zinc/19/09/98/1091190998.db2.gz FTMGNCQAASJMHR-LSDHHAIUSA-N 1 3 328.460 2.104 10 0 EEAEHO C[C@@H](CNCc1cnn(C(C)(C)C)c1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001439224170 1091869437 /nfs/dbraw/zinc/86/94/37/1091869437.db2.gz PBIAGSDIPHILMF-RDJZCZTQSA-N 1 3 349.523 2.107 10 0 EEAEHO C[C@@H](CNCc1cnn(C(C)(C)C)c1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001439224170 1091869440 /nfs/dbraw/zinc/86/94/40/1091869440.db2.gz PBIAGSDIPHILMF-RDJZCZTQSA-N 1 3 349.523 2.107 10 0 EEAEHO CC(C)CCN1CC[C@@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001446091934 1092117399 /nfs/dbraw/zinc/11/73/99/1092117399.db2.gz GELVRQPBMCNMIC-QAPCUYQASA-N 1 3 327.488 2.436 10 0 EEAEHO CC(C)CCN1CC[C@@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001446091934 1092117402 /nfs/dbraw/zinc/11/74/02/1092117402.db2.gz GELVRQPBMCNMIC-QAPCUYQASA-N 1 3 327.488 2.436 10 0 EEAEHO CC(C)CCN1CC[C@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001446091936 1092117447 /nfs/dbraw/zinc/11/74/47/1092117447.db2.gz GELVRQPBMCNMIC-YJBOKZPZSA-N 1 3 327.488 2.436 10 0 EEAEHO CC(C)CCN1CC[C@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001446091936 1092117450 /nfs/dbraw/zinc/11/74/50/1092117450.db2.gz GELVRQPBMCNMIC-YJBOKZPZSA-N 1 3 327.488 2.436 10 0 EEAEHO Cc1ccc(CNC2(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)c(C)n1 ZINC001446170479 1092226160 /nfs/dbraw/zinc/22/61/60/1092226160.db2.gz NBHXLXAKEKUSKB-SFHVURJKSA-N 1 3 344.503 2.310 10 0 EEAEHO Cc1ccc(CNC2(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)c(C)n1 ZINC001446170479 1092226173 /nfs/dbraw/zinc/22/61/73/1092226173.db2.gz NBHXLXAKEKUSKB-SFHVURJKSA-N 1 3 344.503 2.310 10 0 EEAEHO C[C@@H](NC1(CNC(=O)C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC001446230692 1092341508 /nfs/dbraw/zinc/34/15/08/1092341508.db2.gz RNPQRYOWYFYVFE-CQSZACIVSA-N 1 3 333.451 2.467 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1(C)CC[NH+](Cc2ccccn2)CC1 ZINC001439914810 1092989732 /nfs/dbraw/zinc/98/97/32/1092989732.db2.gz AVRWJOSMHUUBMI-UHFFFAOYSA-N 1 3 332.492 2.140 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1CC2(C1)CCN(C[C@H](F)CC)CC2 ZINC001440238383 1093324539 /nfs/dbraw/zinc/32/45/39/1093324539.db2.gz JXQWSTOPGIAJKV-MRXNPFEDSA-N 1 3 327.488 2.391 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(C[C@H](F)CC)CC2 ZINC001440238383 1093324547 /nfs/dbraw/zinc/32/45/47/1093324547.db2.gz JXQWSTOPGIAJKV-MRXNPFEDSA-N 1 3 327.488 2.391 10 0 EEAEHO CN(C)c1cccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001440431671 1093635713 /nfs/dbraw/zinc/63/57/13/1093635713.db2.gz VSYQJMINAMUROZ-IBGZPJMESA-N 1 3 346.519 2.127 10 0 EEAEHO CN(C)c1cccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001440431671 1093635716 /nfs/dbraw/zinc/63/57/16/1093635716.db2.gz VSYQJMINAMUROZ-IBGZPJMESA-N 1 3 346.519 2.127 10 0 EEAEHO CN(CCC[N@H+](C)CCc1ccccc1F)C(=O)CN1CCCC1 ZINC001440479352 1093709685 /nfs/dbraw/zinc/70/96/85/1093709685.db2.gz GXKFHDJFGJSLMF-UHFFFAOYSA-N 1 3 335.467 2.244 10 0 EEAEHO CN(CCC[N@@H+](C)CCc1ccccc1F)C(=O)CN1CCCC1 ZINC001440479352 1093709687 /nfs/dbraw/zinc/70/96/87/1093709687.db2.gz GXKFHDJFGJSLMF-UHFFFAOYSA-N 1 3 335.467 2.244 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001440857221 1094117187 /nfs/dbraw/zinc/11/71/87/1094117187.db2.gz KNDLACADSNIOEP-CABCVRRESA-N 1 3 333.476 2.040 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CCC2CC2)C1 ZINC001449369652 1094336891 /nfs/dbraw/zinc/33/68/91/1094336891.db2.gz OPRAOWULNWCKPD-GJZGRUSLSA-N 1 3 349.441 2.497 10 0 EEAEHO COC[C@H](C)[NH2+]CC1(NC(=O)CN(C)CC(C)(C)C)CCCCC1 ZINC001441104056 1094410653 /nfs/dbraw/zinc/41/06/53/1094410653.db2.gz TVNQKQWHFJWSGC-INIZCTEOSA-N 1 3 341.540 2.408 10 0 EEAEHO CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001441421718 1095010369 /nfs/dbraw/zinc/01/03/69/1095010369.db2.gz WUQHRWMVPRXPKO-MPGHIAIKSA-N 1 3 327.488 2.482 10 0 EEAEHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001441594878 1095432898 /nfs/dbraw/zinc/43/28/98/1095432898.db2.gz CYVFMEMBOBHJJO-STQMWFEESA-N 1 3 328.407 2.214 10 0 EEAEHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001441597962 1095439253 /nfs/dbraw/zinc/43/92/53/1095439253.db2.gz MEKVMDZWPWZOBO-SJORKVTESA-N 1 3 343.515 2.454 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC001480122149 1099686290 /nfs/dbraw/zinc/68/62/90/1099686290.db2.gz QWDXRTQQVHMFQY-PXNSSMCTSA-N 1 3 343.515 2.322 10 0 EEAEHO CO[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC001480207775 1099812775 /nfs/dbraw/zinc/81/27/75/1099812775.db2.gz GLNPQOBLIYJKHI-ZIFCJYIRSA-N 1 3 345.487 2.095 10 0 EEAEHO Cc1ncccc1CN[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001480472777 1100281093 /nfs/dbraw/zinc/28/10/93/1100281093.db2.gz BJRJBFYXBCTSGW-KXBFYZLASA-N 1 3 344.503 2.391 10 0 EEAEHO Cc1ncccc1CN[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001480472777 1100281095 /nfs/dbraw/zinc/28/10/95/1100281095.db2.gz BJRJBFYXBCTSGW-KXBFYZLASA-N 1 3 344.503 2.391 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001445081855 1100293807 /nfs/dbraw/zinc/29/38/07/1100293807.db2.gz BVPCBHGAOHIPHD-UHFFFAOYSA-N 1 3 330.476 2.398 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001445081855 1100293811 /nfs/dbraw/zinc/29/38/11/1100293811.db2.gz BVPCBHGAOHIPHD-UHFFFAOYSA-N 1 3 330.476 2.398 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc2ncccc2c1 ZINC001480536340 1100365876 /nfs/dbraw/zinc/36/58/76/1100365876.db2.gz FNHXKYTVEZITPD-HZPDHXFCSA-N 1 3 340.471 2.171 10 0 EEAEHO Cc1nc(CNCC2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCCC2)c(C)o1 ZINC001495182122 1100856399 /nfs/dbraw/zinc/85/63/99/1100856399.db2.gz QTFLRJRWVFAOPM-KRWDZBQOSA-N 1 3 348.491 2.294 10 0 EEAEHO Cc1nc(CNCC2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCCC2)c(C)o1 ZINC001495182122 1100856404 /nfs/dbraw/zinc/85/64/04/1100856404.db2.gz QTFLRJRWVFAOPM-KRWDZBQOSA-N 1 3 348.491 2.294 10 0 EEAEHO COCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001495389286 1101108397 /nfs/dbraw/zinc/10/83/97/1101108397.db2.gz CECFRSMDPRXCNT-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO C[NH+](C)CCC(=O)N1CCC[C@H]2CN(Cc3cccc(F)c3)C[C@H]21 ZINC001447044296 1101844948 /nfs/dbraw/zinc/84/49/48/1101844948.db2.gz TYFLSKMNKBIMDQ-FUHWJXTLSA-N 1 3 333.451 2.200 10 0 EEAEHO C[C@H](CNCc1ccnc(Cl)c1)N(C)C(=O)CCC[NH+](C)C ZINC001496145007 1102133346 /nfs/dbraw/zinc/13/33/46/1102133346.db2.gz ODAQBMYLQCALIU-CYBMUJFWSA-N 1 3 326.872 2.013 10 0 EEAEHO C[C@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)CN1CC[C@@H](C)C1 ZINC001497271918 1102229881 /nfs/dbraw/zinc/22/98/81/1102229881.db2.gz PKSIOVFPYKNGKT-ZIAGYGMSSA-N 1 3 339.430 2.291 10 0 EEAEHO COc1ccc(CC[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001497815564 1103142325 /nfs/dbraw/zinc/14/23/25/1103142325.db2.gz AUHUPISBYDYBFO-APWZRJJASA-N 1 3 347.503 2.205 10 0 EEAEHO Cc1ncoc1CN1CC[C@@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001494083748 1103497087 /nfs/dbraw/zinc/49/70/87/1103497087.db2.gz QPNYMHXWYGERNP-QGZVFWFLSA-N 1 3 348.491 2.187 10 0 EEAEHO Cc1cccc(C)c1OCCN(C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001448148098 1104110656 /nfs/dbraw/zinc/11/06/56/1104110656.db2.gz NRGJFFXGAWMRLI-MSOLQXFVSA-N 1 3 347.503 2.070 10 0 EEAEHO Cc1cccc(C)c1OCCN(C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001448148098 1104110663 /nfs/dbraw/zinc/11/06/63/1104110663.db2.gz NRGJFFXGAWMRLI-MSOLQXFVSA-N 1 3 347.503 2.070 10 0 EEAEHO Cc1cccc(C)c1OCCN(C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001448148100 1104111246 /nfs/dbraw/zinc/11/12/46/1104111246.db2.gz NRGJFFXGAWMRLI-ROUUACIJSA-N 1 3 347.503 2.070 10 0 EEAEHO Cc1cccc(C)c1OCCN(C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001448148100 1104111250 /nfs/dbraw/zinc/11/12/50/1104111250.db2.gz NRGJFFXGAWMRLI-ROUUACIJSA-N 1 3 347.503 2.070 10 0 EEAEHO CC(C)Oc1ccccc1CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001498161954 1107005500 /nfs/dbraw/zinc/00/55/00/1107005500.db2.gz YPJXLQCAROHIOR-INIZCTEOSA-N 1 3 345.487 2.164 10 0 EEAEHO Cc1ncoc1CN[C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001480793412 1107126943 /nfs/dbraw/zinc/12/69/43/1107126943.db2.gz AXQNNRYGYPEYQJ-ZBFHGGJFSA-N 1 3 336.480 2.230 10 0 EEAEHO Cc1ncoc1CN[C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001480793412 1107126948 /nfs/dbraw/zinc/12/69/48/1107126948.db2.gz AXQNNRYGYPEYQJ-ZBFHGGJFSA-N 1 3 336.480 2.230 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1cccc(Cl)n1)N(C)C ZINC001498610175 1107804154 /nfs/dbraw/zinc/80/41/54/1107804154.db2.gz AIEVQODZYDAQQO-MRXNPFEDSA-N 1 3 340.899 2.259 10 0 EEAEHO CCCCOCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001493836142 1108718391 /nfs/dbraw/zinc/71/83/91/1108718391.db2.gz GEGNHNBYHNIILW-FUHWJXTLSA-N 1 3 339.524 2.114 10 0 EEAEHO c1cc2nsnc2c(CNC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001461198413 1110337400 /nfs/dbraw/zinc/33/74/00/1110337400.db2.gz VUGZXOGKALVFOE-OAHLLOKOSA-N 1 3 332.473 2.424 10 0 EEAEHO C[C@H]1C[C@@H]([NH2+]CCOC2CCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001499837216 1112505530 /nfs/dbraw/zinc/50/55/30/1112505530.db2.gz ZMMMFJHNMFMCPQ-HOTGVXAUSA-N 1 3 337.508 2.009 10 0 EEAEHO Cc1ncccc1C[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C1CCCC1 ZINC001500131301 1112631215 /nfs/dbraw/zinc/63/12/15/1112631215.db2.gz MDIUKOPAQRNZLW-IBGZPJMESA-N 1 3 346.519 2.495 10 0 EEAEHO CCOCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001501091555 1113195769 /nfs/dbraw/zinc/19/57/69/1113195769.db2.gz OPOSRDTUIZXRCE-LPHOPBHVSA-N 1 3 347.503 2.225 10 0 EEAEHO C[NH+](C)CC1(C(=O)N2CC3(C2)CCN(C/C=C\Cl)CC3)CC1 ZINC001501742210 1113458901 /nfs/dbraw/zinc/45/89/01/1113458901.db2.gz SPGIHAVOGOEEBC-BAQGIRSFSA-N 1 3 325.884 2.005 10 0 EEAEHO O=C(NCC1(NC/C=C\Cl)CCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001502008764 1113556518 /nfs/dbraw/zinc/55/65/18/1113556518.db2.gz PZGXJPLCHHZQNG-USBNPNPXSA-N 1 3 325.884 2.384 10 0 EEAEHO O=C(NCC1(NC/C=C\Cl)CCC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001502008764 1113556522 /nfs/dbraw/zinc/55/65/22/1113556522.db2.gz PZGXJPLCHHZQNG-USBNPNPXSA-N 1 3 325.884 2.384 10 0 EEAEHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@H](C)[NH2+]CCOC1CCC1 ZINC001505606617 1114081880 /nfs/dbraw/zinc/08/18/80/1114081880.db2.gz UUCXEVUPBLCLLA-JKSUJKDBSA-N 1 3 339.524 2.303 10 0 EEAEHO COc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2(N(C)C)CCC2)ccc1C ZINC001505621013 1114089629 /nfs/dbraw/zinc/08/96/29/1114089629.db2.gz BRXUAAMXAVVNJT-HOTGVXAUSA-N 1 3 347.503 2.471 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC001505791210 1114194142 /nfs/dbraw/zinc/19/41/42/1114194142.db2.gz FVLSQKPMLXUMOE-WWDZGPRUSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1ccccc1OCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001507295630 1115178710 /nfs/dbraw/zinc/17/87/10/1115178710.db2.gz DEGAVRIZSUBSDQ-QZTJIDSGSA-N 1 3 347.503 2.293 10 0 EEAEHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CCCc2ccsc2)C1 ZINC001508128624 1115424734 /nfs/dbraw/zinc/42/47/34/1115424734.db2.gz ZQQZVPCPIMIQOS-OFLPRAFFSA-N 1 3 335.517 2.354 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]CCC2CCOCC2)CCCC1 ZINC001568007638 1124227857 /nfs/dbraw/zinc/22/78/57/1124227857.db2.gz BBBQKLFFMHCIJR-UHFFFAOYSA-N 1 3 348.491 2.096 10 0 EEAEHO Cc1ncccc1C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001568393527 1124463526 /nfs/dbraw/zinc/46/35/26/1124463526.db2.gz NFMWHXOTTSMWTE-GOSISDBHSA-N 1 3 341.459 2.217 10 0 EEAEHO Cc1csc(CNCC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC001568630398 1124645280 /nfs/dbraw/zinc/64/52/80/1124645280.db2.gz BUCCRAOGNPNSJA-HIFRSBDPSA-N 1 3 338.521 2.309 10 0 EEAEHO Cc1csc(CNCC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)n1 ZINC001568630398 1124645285 /nfs/dbraw/zinc/64/52/85/1124645285.db2.gz BUCCRAOGNPNSJA-HIFRSBDPSA-N 1 3 338.521 2.309 10 0 EEAEHO Cc1cc(F)ccc1C[NH2+]C/C=C\CNC(=O)CN1CC[C@H](C)C1 ZINC001568920463 1124948941 /nfs/dbraw/zinc/94/89/41/1124948941.db2.gz VYUVUSMFCGIEKU-JZIMQPMSSA-N 1 3 333.451 2.238 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C/C[NH2+][C@H]1CCCc2ccccc21 ZINC001568964810 1125001159 /nfs/dbraw/zinc/00/11/59/1125001159.db2.gz XOEKTOCCZUDRQQ-RTLBZRNLSA-N 1 3 327.472 2.422 10 0 EEAEHO C[C@H]1CC[C@@H](C[NH2+]CCCN(C)C(=O)c2cccc(CN(C)C)c2)O1 ZINC001569269155 1125208455 /nfs/dbraw/zinc/20/84/55/1125208455.db2.gz QBCTYGOSIVUMFQ-LPHOPBHVSA-N 1 3 347.503 2.367 10 0 EEAEHO CC[NH+]1CCC(N(C)c2ncc(Br)cc2CN)CC1 ZINC000051397752 214091913 /nfs/dbraw/zinc/09/19/13/214091913.db2.gz OTHHSFKYCRCRKM-UHFFFAOYSA-N 1 3 327.270 2.223 10 0 EEAEHO COC[C@H](CCC[NH3+])NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000422729291 285373943 /nfs/dbraw/zinc/37/39/43/285373943.db2.gz HRMKTRIAKXLITF-SFHVURJKSA-N 1 3 342.443 2.177 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2F)CCNC3)CC[N@@H+]1C ZINC000415954906 533590444 /nfs/dbraw/zinc/59/04/44/533590444.db2.gz LEQXSLHUFIWIBZ-OCCSQVGLSA-N 1 3 334.439 2.418 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2F)CCNC3)CC[N@H+]1C ZINC000415954906 533590450 /nfs/dbraw/zinc/59/04/50/533590450.db2.gz LEQXSLHUFIWIBZ-OCCSQVGLSA-N 1 3 334.439 2.418 10 0 EEAEHO CN1CC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000194813966 160200842 /nfs/dbraw/zinc/20/08/42/160200842.db2.gz DBXJBPUFKXCTAW-MOPGFXCFSA-N 1 3 327.472 2.422 10 0 EEAEHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCN1CCc2c(Cl)cccc2C1 ZINC000423057615 299000647 /nfs/dbraw/zinc/00/06/47/299000647.db2.gz HNKGGUYPXYHJDK-XCRHUMRWSA-N 1 3 337.895 2.040 10 0 EEAEHO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3CCC[C@@H]3CN)C2)c1 ZINC000422879595 277835785 /nfs/dbraw/zinc/83/57/85/277835785.db2.gz VPKAERQLBBWDLD-CLCXKQKWSA-N 1 3 333.476 2.247 10 0 EEAEHO CC(C)[C@@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)[NH+]1CCC(C)CC1 ZINC000173824005 279843121 /nfs/dbraw/zinc/84/31/21/279843121.db2.gz PFGKZYUHTSMXAM-RBUKOAKNSA-N 1 3 348.535 2.399 10 0 EEAEHO C[NH+](C)[C@@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000170830887 289311682 /nfs/dbraw/zinc/31/16/82/289311682.db2.gz KVGRIPISCSVNMZ-GOSISDBHSA-N 1 3 344.503 2.169 10 0 EEAEHO COC[C@@H](CCC[NH3+])NCc1cccc(NC(=O)c2ccccn2)c1 ZINC000422718254 292805014 /nfs/dbraw/zinc/80/50/14/292805014.db2.gz WUUDQSJVVIWGJI-QGZVFWFLSA-N 1 3 342.443 2.177 10 0 EEAEHO CN(CCC(=O)NCc1ccc(CC[NH+](C)C)cc1)c1ccncc1 ZINC000527047163 317145454 /nfs/dbraw/zinc/14/54/54/317145454.db2.gz CAEJGEFMWPLUQJ-UHFFFAOYSA-N 1 3 340.471 2.328 10 0 EEAEHO CN(C)[C@H](CNC(=O)CCN(C)c1cc[nH+]cc1)c1ccccc1 ZINC000540928503 318084765 /nfs/dbraw/zinc/08/47/65/318084765.db2.gz ABKNGQCZPWRANF-GOSISDBHSA-N 1 3 326.444 2.327 10 0 EEAEHO CN(CCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccncc1 ZINC000541857382 318112507 /nfs/dbraw/zinc/11/25/07/318112507.db2.gz LEGDAMHFJVKIMP-SFHVURJKSA-N 1 3 330.476 2.385 10 0 EEAEHO CC(C)c1ccc(NC(=O)C[C@@H](C)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000546572540 318252631 /nfs/dbraw/zinc/25/26/31/318252631.db2.gz IYNYTZZGQAZEMV-DNVCBOLYSA-N 1 3 333.476 2.183 10 0 EEAEHO CC(C)c1ccc(NC(=O)C[C@@H](C)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000546572540 318252633 /nfs/dbraw/zinc/25/26/33/318252633.db2.gz IYNYTZZGQAZEMV-DNVCBOLYSA-N 1 3 333.476 2.183 10 0 EEAEHO CN(CCC[NH+](C)C)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000548518432 318393861 /nfs/dbraw/zinc/39/38/61/318393861.db2.gz BWKHYZANWVPMJU-IBGZPJMESA-N 1 3 346.519 2.490 10 0 EEAEHO O=C1c2ccccc2C(=O)N1CCCCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564986172 319135966 /nfs/dbraw/zinc/13/59/66/319135966.db2.gz HHXGJORBUBYPNY-FQEVSTJZSA-N 1 3 341.455 2.138 10 0 EEAEHO O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000564986172 319135968 /nfs/dbraw/zinc/13/59/68/319135968.db2.gz HHXGJORBUBYPNY-FQEVSTJZSA-N 1 3 341.455 2.138 10 0 EEAEHO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000564986172 319135970 /nfs/dbraw/zinc/13/59/70/319135970.db2.gz HHXGJORBUBYPNY-FQEVSTJZSA-N 1 3 341.455 2.138 10 0 EEAEHO Cc1ccc2nccc(N3CC[NH+](CCC(=O)N(C)C)CC3)c2c1 ZINC000354581925 465036290 /nfs/dbraw/zinc/03/62/90/465036290.db2.gz SDHMXJQVNRCPDA-UHFFFAOYSA-N 1 3 326.444 2.144 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)[C@H]2CCCN(C)C2)CC1 ZINC000073988604 462540916 /nfs/dbraw/zinc/54/09/16/462540916.db2.gz HPYRAFXFRJMTPL-KRWDZBQOSA-N 1 3 330.476 2.159 10 0 EEAEHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CCCN(C)C2)cc1 ZINC000052518816 463085038 /nfs/dbraw/zinc/08/50/38/463085038.db2.gz NJHYDDWFWCKFHW-GOSISDBHSA-N 1 3 332.492 2.422 10 0 EEAEHO CCC[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N(C)C ZINC000162001364 463475800 /nfs/dbraw/zinc/47/58/00/463475800.db2.gz WDZMYMXSXQDRHS-RTBURBONSA-N 1 3 331.504 2.398 10 0 EEAEHO CCC[C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC000162001364 463475804 /nfs/dbraw/zinc/47/58/04/463475804.db2.gz WDZMYMXSXQDRHS-RTBURBONSA-N 1 3 331.504 2.398 10 0 EEAEHO C[C@H]1C[C@H](N(C)C(=O)C2(N)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261869671 463884063 /nfs/dbraw/zinc/88/40/63/463884063.db2.gz NXSNFTWSGXJCDN-FUHWJXTLSA-N 1 3 345.487 2.006 10 0 EEAEHO C[C@H]1C[C@H](N(C)C(=O)C2(N)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261869671 463884065 /nfs/dbraw/zinc/88/40/65/463884065.db2.gz NXSNFTWSGXJCDN-FUHWJXTLSA-N 1 3 345.487 2.006 10 0 EEAEHO C[C@@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C2)CCN1CC(C)(C)O ZINC000298565906 465433533 /nfs/dbraw/zinc/43/35/33/465433533.db2.gz WNGFSGAYVGSUAM-MJGOQNOKSA-N 1 3 331.504 2.038 10 0 EEAEHO C[C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1CC(C)(C)O ZINC000298565906 465433538 /nfs/dbraw/zinc/43/35/38/465433538.db2.gz WNGFSGAYVGSUAM-MJGOQNOKSA-N 1 3 331.504 2.038 10 0 EEAEHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CC=CC3)C2)C1 ZINC000174271168 464387414 /nfs/dbraw/zinc/38/74/14/464387414.db2.gz HUNMTXJBMWNEQA-IRXDYDNUSA-N 1 3 334.508 2.153 10 0 EEAEHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CC=CC3)C2)C1 ZINC000174271168 464387418 /nfs/dbraw/zinc/38/74/18/464387418.db2.gz HUNMTXJBMWNEQA-IRXDYDNUSA-N 1 3 334.508 2.153 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1 ZINC000176883694 464873929 /nfs/dbraw/zinc/87/39/29/464873929.db2.gz BAMUBYVWGHKKLJ-NZSAHSFTSA-N 1 3 342.487 2.139 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1 ZINC000176883694 464873935 /nfs/dbraw/zinc/87/39/35/464873935.db2.gz BAMUBYVWGHKKLJ-NZSAHSFTSA-N 1 3 342.487 2.139 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](O)CC(C)(C)C ZINC000362687521 465940224 /nfs/dbraw/zinc/94/02/24/465940224.db2.gz XLDRRDVRWDWBOY-DLBZAZTESA-N 1 3 341.540 2.048 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](O)CC(C)(C)C ZINC000362687521 465940230 /nfs/dbraw/zinc/94/02/30/465940230.db2.gz XLDRRDVRWDWBOY-DLBZAZTESA-N 1 3 341.540 2.048 10 0 EEAEHO CCOC(=O)c1cnn(C2CC[NH+](CC[C@H]3CCCN3C)CC2)c1C ZINC000367150393 466161199 /nfs/dbraw/zinc/16/11/99/466161199.db2.gz FCCFNOICMAZYHW-MRXNPFEDSA-N 1 3 348.491 2.489 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363247222 466305215 /nfs/dbraw/zinc/30/52/15/466305215.db2.gz KNXAACOLGMLHCF-RBUKOAKNSA-N 1 3 344.503 2.039 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000363247222 466305221 /nfs/dbraw/zinc/30/52/21/466305221.db2.gz KNXAACOLGMLHCF-RBUKOAKNSA-N 1 3 344.503 2.039 10 0 EEAEHO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCN2CCC1CC2 ZINC000367416142 466324020 /nfs/dbraw/zinc/32/40/20/466324020.db2.gz SUCGFHNXQJPHMK-LJQANCHMSA-N 1 3 342.487 2.141 10 0 EEAEHO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1CCN2CCC1CC2 ZINC000367416142 466324026 /nfs/dbraw/zinc/32/40/26/466324026.db2.gz SUCGFHNXQJPHMK-LJQANCHMSA-N 1 3 342.487 2.141 10 0 EEAEHO C[N@@H+]1CC[C@H](NCc2ccccc2Cn2cncn2)[C@@H]2CCC[C@@H]21 ZINC000367618914 466452007 /nfs/dbraw/zinc/45/20/07/466452007.db2.gz OYNGGIGUUUIVSB-FHWLQOOXSA-N 1 3 325.460 2.289 10 0 EEAEHO C[N@H+]1CC[C@H](NCc2ccccc2Cn2cncn2)[C@@H]2CCC[C@@H]21 ZINC000367618914 466452015 /nfs/dbraw/zinc/45/20/15/466452015.db2.gz OYNGGIGUUUIVSB-FHWLQOOXSA-N 1 3 325.460 2.289 10 0 EEAEHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCN(c2ccncc2)CC1 ZINC000594132630 468493404 /nfs/dbraw/zinc/49/34/04/468493404.db2.gz BGWDZULXZIWOGC-IRXDYDNUSA-N 1 3 345.491 2.176 10 0 EEAEHO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(OCCN(C)C)cc1 ZINC000358153877 466497890 /nfs/dbraw/zinc/49/78/90/466497890.db2.gz GHHQRJSQKVJJAS-ODIFPOPNSA-N 1 3 333.476 2.322 10 0 EEAEHO CC1=CCN(CCNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000358192505 466529122 /nfs/dbraw/zinc/52/91/22/466529122.db2.gz PZNKMLSQPIECEM-SFHVURJKSA-N 1 3 344.503 2.458 10 0 EEAEHO CC1=CCN(CCNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000358192505 466529129 /nfs/dbraw/zinc/52/91/29/466529129.db2.gz PZNKMLSQPIECEM-SFHVURJKSA-N 1 3 344.503 2.458 10 0 EEAEHO COc1ccc(CN(C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1OC(F)F ZINC000662250258 472043459 /nfs/dbraw/zinc/04/34/59/472043459.db2.gz CKXVEMHIKAZDIX-ZDUSSCGKSA-N 1 3 342.386 2.249 10 0 EEAEHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417109611 466782311 /nfs/dbraw/zinc/78/23/11/466782311.db2.gz KRIZFEGEFMBWIR-IEBWSBKVSA-N 1 3 342.487 2.187 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000418610702 467135356 /nfs/dbraw/zinc/13/53/56/467135356.db2.gz GHGUGWDPBNFWDG-APWZRJJASA-N 1 3 344.503 2.290 10 0 EEAEHO CN(C(=O)NCCC1=CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418637965 467139079 /nfs/dbraw/zinc/13/90/79/467139079.db2.gz KFPFZHHZTFTQER-IBGZPJMESA-N 1 3 342.487 2.212 10 0 EEAEHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CNCCC1(F)F ZINC000418757327 467155708 /nfs/dbraw/zinc/15/57/08/467155708.db2.gz YWWCFPMPVIAUKD-HNNXBMFYSA-N 1 3 346.466 2.281 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](O)[C@H](C)C2)CC1 ZINC000428472049 467236541 /nfs/dbraw/zinc/23/65/41/467236541.db2.gz DZFRDQACOKDTJG-XLIONFOSSA-N 1 3 331.504 2.421 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](O)[C@H](C)C2)CC1 ZINC000428472049 467236545 /nfs/dbraw/zinc/23/65/45/467236545.db2.gz DZFRDQACOKDTJG-XLIONFOSSA-N 1 3 331.504 2.421 10 0 EEAEHO O=C1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCCN1 ZINC000383453846 467380898 /nfs/dbraw/zinc/38/08/98/467380898.db2.gz HTGJGTTVIAQHNS-WJFTUGDTSA-N 1 3 327.472 2.155 10 0 EEAEHO C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1cccc(OCCN(C)C)c1 ZINC000453265891 467473811 /nfs/dbraw/zinc/47/38/11/467473811.db2.gz OBCQKEFZWDBESS-HKUYNNGSSA-N 1 3 349.519 2.124 10 0 EEAEHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000528711726 467734838 /nfs/dbraw/zinc/73/48/38/467734838.db2.gz FPSBGVDIZAMUJC-HNNXBMFYSA-N 1 3 346.475 2.364 10 0 EEAEHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000528711726 467734843 /nfs/dbraw/zinc/73/48/43/467734843.db2.gz FPSBGVDIZAMUJC-HNNXBMFYSA-N 1 3 346.475 2.364 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000557135372 468615259 /nfs/dbraw/zinc/61/52/59/468615259.db2.gz AFRLHKZJQZMXOW-RBSFLKMASA-N 1 3 336.505 2.182 10 0 EEAEHO C[C@]1(CNC(=O)N[C@@H]2CCC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000571303968 468770369 /nfs/dbraw/zinc/77/03/69/468770369.db2.gz NNDCVTXWXYWYQT-IEBWSBKVSA-N 1 3 330.476 2.092 10 0 EEAEHO COC(=O)c1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000593322221 468938267 /nfs/dbraw/zinc/93/82/67/468938267.db2.gz LVHFRZSKJINQDS-KSZLIROESA-N 1 3 332.444 2.334 10 0 EEAEHO CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000573675862 469182732 /nfs/dbraw/zinc/18/27/32/469182732.db2.gz VUMGYLACVAUURH-USXIJHARSA-N 1 3 333.451 2.166 10 0 EEAEHO CC1(C)NC(=O)CC[C@H]1NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000573675862 469182739 /nfs/dbraw/zinc/18/27/39/469182739.db2.gz VUMGYLACVAUURH-USXIJHARSA-N 1 3 333.451 2.166 10 0 EEAEHO CCC[N@H+](C)CC(C)(C)NC(=O)NCC1(SC)CCN(C)CC1 ZINC000596604455 469311750 /nfs/dbraw/zinc/31/17/50/469311750.db2.gz IGMZULVNUWCJAN-UHFFFAOYSA-N 1 3 344.569 2.233 10 0 EEAEHO CCC[N@@H+](C)CC(C)(C)NC(=O)NCC1(SC)CCN(C)CC1 ZINC000596604455 469311755 /nfs/dbraw/zinc/31/17/55/469311755.db2.gz IGMZULVNUWCJAN-UHFFFAOYSA-N 1 3 344.569 2.233 10 0 EEAEHO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625940497 469442511 /nfs/dbraw/zinc/44/25/11/469442511.db2.gz CSFFSFOUNRDKGI-AWEZNQCLSA-N 1 3 334.464 2.411 10 0 EEAEHO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625940497 469442517 /nfs/dbraw/zinc/44/25/17/469442517.db2.gz CSFFSFOUNRDKGI-AWEZNQCLSA-N 1 3 334.464 2.411 10 0 EEAEHO CN1CCN(Cc2ccccc2-c2cnn(C3CC[NH2+]CC3)c2)CC1 ZINC000629735003 469618010 /nfs/dbraw/zinc/61/80/10/469618010.db2.gz DFEBKWBDUFOZOO-UHFFFAOYSA-N 1 3 339.487 2.222 10 0 EEAEHO C[C@@H](CN1CCN(c2ccccn2)CC1)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623424102 469652942 /nfs/dbraw/zinc/65/29/42/469652942.db2.gz BEFXVUVDQZEPGS-ROUUACIJSA-N 1 3 345.535 2.055 10 0 EEAEHO C[C@@H](CN1CCN(c2ccccn2)CC1)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623424102 469652945 /nfs/dbraw/zinc/65/29/45/469652945.db2.gz BEFXVUVDQZEPGS-ROUUACIJSA-N 1 3 345.535 2.055 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCc1cccc(F)c1F ZINC000617504817 469704391 /nfs/dbraw/zinc/70/43/91/469704391.db2.gz LNRVDLNTKFTTML-AWEZNQCLSA-N 1 3 341.446 2.286 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCc1cccc(F)c1F ZINC000617504817 469704395 /nfs/dbraw/zinc/70/43/95/469704395.db2.gz LNRVDLNTKFTTML-AWEZNQCLSA-N 1 3 341.446 2.286 10 0 EEAEHO OCCOC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC(F)(F)CC1 ZINC000623638163 469718224 /nfs/dbraw/zinc/71/82/24/469718224.db2.gz XCUNLMNKFIDWAZ-CABCVRRESA-N 1 3 332.435 2.160 10 0 EEAEHO OCCOC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC(F)(F)CC1 ZINC000623638163 469718227 /nfs/dbraw/zinc/71/82/27/469718227.db2.gz XCUNLMNKFIDWAZ-CABCVRRESA-N 1 3 332.435 2.160 10 0 EEAEHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000627199336 469841840 /nfs/dbraw/zinc/84/18/40/469841840.db2.gz VRMBPXOYYGPXBX-SJLPKXTDSA-N 1 3 332.492 2.209 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)C(F)(F)F ZINC000625023437 470061854 /nfs/dbraw/zinc/06/18/54/470061854.db2.gz HELMUMMNHRLWRB-KGLIPLIRSA-N 1 3 337.430 2.449 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)C(F)(F)F ZINC000625023437 470061855 /nfs/dbraw/zinc/06/18/55/470061855.db2.gz HELMUMMNHRLWRB-KGLIPLIRSA-N 1 3 337.430 2.449 10 0 EEAEHO Cn1cc(CCN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nn1 ZINC000625447350 470146615 /nfs/dbraw/zinc/14/66/15/470146615.db2.gz LPKURAWHNQWJSC-UHFFFAOYSA-N 1 3 339.487 2.346 10 0 EEAEHO CN1C[C@@H]2CCN(C(=O)c3oc4ccccc4c3C[NH+](C)C)[C@@H]2C1 ZINC000646934968 470781715 /nfs/dbraw/zinc/78/17/15/470781715.db2.gz YJLCGHIXFXYURT-XJKSGUPXSA-N 1 3 327.428 2.271 10 0 EEAEHO C[C@H]1C[C@H](NC(=O)NCCC2(C[NH3+])CC2)CN1Cc1ccccc1 ZINC000652167454 471248953 /nfs/dbraw/zinc/24/89/53/471248953.db2.gz UVXJXEQANGBEHL-RDJZCZTQSA-N 1 3 330.476 2.078 10 0 EEAEHO CN1CCC(N(Cc2ccccc2)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652240247 471260953 /nfs/dbraw/zinc/26/09/53/471260953.db2.gz UOCZFQONDZLTTB-UHFFFAOYSA-N 1 3 344.503 2.421 10 0 EEAEHO CCN(C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000663656224 471461885 /nfs/dbraw/zinc/46/18/85/471461885.db2.gz WWGAQEMSPOSEHP-KURKYZTESA-N 1 3 338.540 2.480 10 0 EEAEHO C[C@@H](CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C[NH+]1CCCC1 ZINC000659033745 471476239 /nfs/dbraw/zinc/47/62/39/471476239.db2.gz XYFBMHLQLMBVJZ-YJBOKZPZSA-N 1 3 346.475 2.201 10 0 EEAEHO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659036982 471478945 /nfs/dbraw/zinc/47/89/45/471478945.db2.gz UQAFWZMSQADKLG-CRAIPNDOSA-N 1 3 346.475 2.153 10 0 EEAEHO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659036982 471478951 /nfs/dbraw/zinc/47/89/51/471478951.db2.gz UQAFWZMSQADKLG-CRAIPNDOSA-N 1 3 346.475 2.153 10 0 EEAEHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC/C=C\C[NH3+] ZINC000669581447 471566559 /nfs/dbraw/zinc/56/65/59/471566559.db2.gz GTNVIIJQAMOQIK-TUYSUELWSA-N 1 3 330.476 2.101 10 0 EEAEHO C[NH2+]Cc1ccccc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000659303216 471572693 /nfs/dbraw/zinc/57/26/93/471572693.db2.gz MEVNWDNIUWOAEM-QWHCGFSZSA-N 1 3 346.349 2.329 10 0 EEAEHO C[C@H](NC(C)(C)CNC(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000659454719 471634922 /nfs/dbraw/zinc/63/49/22/471634922.db2.gz NFLLJQITRLKWLX-XVTSOASTSA-N 1 3 330.476 2.167 10 0 EEAEHO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ccnc(N2CCCCC2)n1 ZINC000664195404 471672286 /nfs/dbraw/zinc/67/22/86/471672286.db2.gz CCRASPSQWIQKAM-INIZCTEOSA-N 1 3 334.512 2.151 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccnc(N2CCCCC2)n1 ZINC000664195404 471672291 /nfs/dbraw/zinc/67/22/91/471672291.db2.gz CCRASPSQWIQKAM-INIZCTEOSA-N 1 3 334.512 2.151 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccnc(N2CCCCC2)n1 ZINC000664195404 471672294 /nfs/dbraw/zinc/67/22/94/471672294.db2.gz CCRASPSQWIQKAM-INIZCTEOSA-N 1 3 334.512 2.151 10 0 EEAEHO CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]1CCCCO1 ZINC000653875245 471764686 /nfs/dbraw/zinc/76/46/86/471764686.db2.gz SHVBWZKCNCHPMP-IPMKNSEASA-N 1 3 347.503 2.343 10 0 EEAEHO CC(C)N1CCN(CCC[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000661781691 471882511 /nfs/dbraw/zinc/88/25/11/471882511.db2.gz GUCLEOCYEUBYMX-PMACEKPBSA-N 1 3 347.551 2.137 10 0 EEAEHO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc3c(c2F)CCNC3)C1 ZINC000667831522 471921779 /nfs/dbraw/zinc/92/17/79/471921779.db2.gz KPDBUTLISUROLA-AWEZNQCLSA-N 1 3 334.439 2.466 10 0 EEAEHO CN(CC1CN(C)C1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000660279945 471925648 /nfs/dbraw/zinc/92/56/48/471925648.db2.gz ICJHDFIHKYJJBK-UHFFFAOYSA-N 1 3 344.503 2.026 10 0 EEAEHO CN(CC1CN(C)C1)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000660279945 471925653 /nfs/dbraw/zinc/92/56/53/471925653.db2.gz ICJHDFIHKYJJBK-UHFFFAOYSA-N 1 3 344.503 2.026 10 0 EEAEHO C1CC2(C1)[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C[C@H]2N1CCOCC1 ZINC000665274635 471987186 /nfs/dbraw/zinc/98/71/86/471987186.db2.gz URVKHJKRYJOMMO-RHQZKXFESA-N 1 3 333.520 2.140 10 0 EEAEHO Clc1ccc(C2([NH2+]C[C@H]3CCC4(CNC4)O3)CCOCC2)cc1 ZINC000662257100 472046098 /nfs/dbraw/zinc/04/60/98/472046098.db2.gz AHLDICVNTGRAGN-MRXNPFEDSA-N 1 3 336.863 2.456 10 0 EEAEHO CC(C)(N)c1cc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)on1 ZINC000662683290 472204106 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C[NH+](C)CCCC(=O)N1CCC[C@@H]1CNCc1ccnc(Cl)c1 ZINC001319102058 1332649658 /nfs/dbraw/zinc/64/96/58/1332649658.db2.gz KJKKJYVXJGFREF-OAHLLOKOSA-N 1 3 338.883 2.157 10 0 EEAEHO Cc1ccc(OCC[NH2+]C[C@H](C)N(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001319533655 1332717182 /nfs/dbraw/zinc/71/71/82/1332717182.db2.gz JDHWWFLYTUNMAR-MSOLQXFVSA-N 1 3 347.503 2.152 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001320891455 1332973089 /nfs/dbraw/zinc/97/30/89/1332973089.db2.gz JHBIVEBQOODZFJ-PKOBYXMFSA-N 1 3 346.519 2.449 10 0 EEAEHO C[C@H](NC/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cccc(F)c1 ZINC001321064748 1333009365 /nfs/dbraw/zinc/00/93/65/1333009365.db2.gz OPVVCLLWOCHTFF-HMSPERNYSA-N 1 3 345.462 2.491 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1cnccc1C ZINC001321083462 1333014665 /nfs/dbraw/zinc/01/46/65/1333014665.db2.gz KCOPBYONPMSTLU-PYTPGESOSA-N 1 3 330.476 2.026 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1cnccc1C ZINC001321083462 1333014666 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CC[C@@H](C(=O)N1CCC(C)([NH2+]CCC[C@H]2CCOC2)CC1)N(C)C ZINC001328017194 1334379134 /nfs/dbraw/zinc/37/91/34/1334379134.db2.gz JLKUANWPCZUDGM-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO C[NH+](C)CC[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC001434355249 1341830991 /nfs/dbraw/zinc/83/09/91/1341830991.db2.gz LBGHMYZUQKZLJC-IEBWSBKVSA-N 1 3 344.503 2.094 10 0 EEAEHO CCN(CC[NH2+]Cc1cccc(F)c1)C(=O)CN1CCC(C)CC1 ZINC001568786353 1342856079 /nfs/dbraw/zinc/85/60/79/1342856079.db2.gz XFACDSPIADHNLO-UHFFFAOYSA-N 1 3 335.467 2.496 10 0 EEAEHO COCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)C(C)C ZINC001569442736 1342870800 /nfs/dbraw/zinc/87/08/00/1342870800.db2.gz GYYIIRZXBXHPBP-AYHJJNSGSA-N 1 3 339.524 2.255 10 0 EEAEHO Cc1cccc(CCC[NH2+]C2CC(N(C)C(=O)Cc3c[nH]cn3)C2)c1 ZINC001677432238 1357331266 /nfs/dbraw/zinc/33/12/66/1357331266.db2.gz VXUANYVYJUMRSI-UHFFFAOYSA-N 1 3 340.471 2.472 10 0 EEAEHO CN1CCN(Cc2cccc(C[NH2+][C@H]3COC4(CCC4)C3)c2)CC1 ZINC001647275085 1353215298 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EEAEHO CCOCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)N(CC)CC ZINC001672531597 1356547454 /nfs/dbraw/zinc/54/74/54/1356547454.db2.gz XFMVLYPUNQINJC-KZNAEPCWSA-N 1 3 339.524 2.209 10 0 EEAEHO COCC[NH2+][C@@H](C)c1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001672938820 1356619423 /nfs/dbraw/zinc/61/94/23/1356619423.db2.gz XGJBMJDBCPRHTC-HNNXBMFYSA-N 1 3 333.476 2.084 10 0 EEAEHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CCO1 ZINC001673300168 1356663727 /nfs/dbraw/zinc/66/37/27/1356663727.db2.gz XXYXRVBOYQGJSH-QGZVFWFLSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCCCCF ZINC001698898239 1405138030 /nfs/dbraw/zinc/13/80/30/1405138030.db2.gz MTLQQVYDXZZAKP-JKSUJKDBSA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1oncc1C[NH2+]CCCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001699550714 1405387166 /nfs/dbraw/zinc/38/71/66/1405387166.db2.gz INRJWNDHWNVIEQ-UHFFFAOYSA-N 1 3 344.459 2.297 10 0 EEAEHO CC(C)(C)NS(=O)(=O)C1(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925806417 777304816 /nfs/dbraw/zinc/30/48/16/777304816.db2.gz POVXAIIAGDIBEC-UONOGXRCSA-N 1 3 345.553 2.123 10 0 EEAEHO CN1CCN(c2ccc(C[NH2+]Cc3ccnn3C3CCC3)cn2)CC1 ZINC000921520863 788802920 /nfs/dbraw/zinc/80/29/20/788802920.db2.gz HWJPBGRWOAZYRA-UHFFFAOYSA-N 1 3 340.475 2.045 10 0 EEAEHO CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000923314191 789352717 /nfs/dbraw/zinc/35/27/17/789352717.db2.gz SFIHAOZNCYJWCE-VEDBGLOESA-N 1 3 328.522 2.195 10 0 EEAEHO Cc1ccc(N2CCN(C[C@H]3CC4(C[NH2+]C4)CO3)[C@H](C)C2)cc1C ZINC000923324379 789383671 /nfs/dbraw/zinc/38/36/71/789383671.db2.gz GJWPPYTVWVNVPK-IEBWSBKVSA-N 1 3 329.488 2.192 10 0 EEAEHO C[C@@H]1CN(C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC000923412491 789519763 /nfs/dbraw/zinc/51/97/63/789519763.db2.gz YBJWKOJOAHKIFM-IJLUTSLNSA-N 1 3 333.259 2.260 10 0 EEAEHO CC(C)OCc1cccc(CNC(=O)CN2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923497429 789672045 /nfs/dbraw/zinc/67/20/45/789672045.db2.gz LOYFYJQAQZQXSU-LPHOPBHVSA-N 1 3 347.503 2.145 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001436473220 1087937363 /nfs/dbraw/zinc/93/73/63/1087937363.db2.gz UNJLNAVBZNDEEM-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H](c1cnccn1)N1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001436499509 1088020430 /nfs/dbraw/zinc/02/04/30/1088020430.db2.gz NKZMPPXOHZOODI-HOTGVXAUSA-N 1 3 347.507 2.096 10 0 EEAEHO C[C@@H](NCc1ccc(F)cn1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001436666208 1088101030 /nfs/dbraw/zinc/10/10/30/1088101030.db2.gz LHMKLGZQYCNQMG-RHSMWYFYSA-N 1 3 336.455 2.032 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCOC(C)C)C1 ZINC001437986711 1090580468 /nfs/dbraw/zinc/58/04/68/1090580468.db2.gz HPXPKUJMHYAFKM-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCOC(C)C)C1 ZINC001437986711 1090580473 /nfs/dbraw/zinc/58/04/73/1090580473.db2.gz HPXPKUJMHYAFKM-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1cc(C)ns1 ZINC001438310219 1090787641 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347.503 2.271 10 0 EEAEHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]Cc1ocnc1C ZINC001446023836 1092013613 /nfs/dbraw/zinc/01/36/13/1092013613.db2.gz ZQTZNXBQHDNJKK-HZPDHXFCSA-N 1 3 336.480 2.040 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CCOC1CCC1 ZINC001439378113 1092120252 /nfs/dbraw/zinc/12/02/52/1092120252.db2.gz IDIRGKSCKVOKRB-SJLPKXTDSA-N 1 3 339.524 2.255 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CCOC1CCC1 ZINC001439378113 1092120259 /nfs/dbraw/zinc/12/02/59/1092120259.db2.gz IDIRGKSCKVOKRB-SJLPKXTDSA-N 1 3 339.524 2.255 10 0 EEAEHO Cc1cncc(CNC2(CNC(=O)CC[C@H]3CCC[N@H+]3C)CC2)c1 ZINC001439624682 1092537472 /nfs/dbraw/zinc/53/74/72/1092537472.db2.gz YTXCUJWZUQROIW-QGZVFWFLSA-N 1 3 330.476 2.003 10 0 EEAEHO Cc1cncc(CNC2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC001439624682 1092537488 /nfs/dbraw/zinc/53/74/88/1092537488.db2.gz YTXCUJWZUQROIW-QGZVFWFLSA-N 1 3 330.476 2.003 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@@H+]2CC2CC3(CCC3)C2)C1 ZINC001440241459 1093328448 /nfs/dbraw/zinc/32/84/48/1093328448.db2.gz JHJUUGQGDKBQFY-FUHWJXTLSA-N 1 3 333.520 2.441 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@H+]2CC2CC3(CCC3)C2)C1 ZINC001440241459 1093328453 /nfs/dbraw/zinc/32/84/53/1093328453.db2.gz JHJUUGQGDKBQFY-FUHWJXTLSA-N 1 3 333.520 2.441 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001440466374 1093689430 /nfs/dbraw/zinc/68/94/30/1093689430.db2.gz RVJAIABCYHRSCI-ROUUACIJSA-N 1 3 339.524 2.257 10 0 EEAEHO C[C@@H](NCc1ccnn1C)[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001440820329 1094072414 /nfs/dbraw/zinc/07/24/14/1094072414.db2.gz YLONPQPWIAXDCW-HZPDHXFCSA-N 1 3 349.523 2.058 10 0 EEAEHO C[C@@H](NCc1ccnn1C)[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001440820329 1094072420 /nfs/dbraw/zinc/07/24/20/1094072420.db2.gz YLONPQPWIAXDCW-HZPDHXFCSA-N 1 3 349.523 2.058 10 0 EEAEHO Cc1ccc(OCCN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001440927135 1094180606 /nfs/dbraw/zinc/18/06/06/1094180606.db2.gz QAGFOXFFKFMOAO-YQVWRLOYSA-N 1 3 347.503 2.151 10 0 EEAEHO Cc1ccc(OCCN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001440927135 1094180609 /nfs/dbraw/zinc/18/06/09/1094180609.db2.gz QAGFOXFFKFMOAO-YQVWRLOYSA-N 1 3 347.503 2.151 10 0 EEAEHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc2cc[nH]c2c1)N(C)C ZINC001440934792 1094187257 /nfs/dbraw/zinc/18/72/57/1094187257.db2.gz ORZYKLHFTNLLKQ-KBXCAEBGSA-N 1 3 330.476 2.445 10 0 EEAEHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc2cc[nH]c2c1)N(C)C ZINC001440934792 1094187262 /nfs/dbraw/zinc/18/72/62/1094187262.db2.gz ORZYKLHFTNLLKQ-KBXCAEBGSA-N 1 3 330.476 2.445 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CCC2CC2)C1 ZINC001449369650 1094337531 /nfs/dbraw/zinc/33/75/31/1094337531.db2.gz OPRAOWULNWCKPD-CABCVRRESA-N 1 3 349.441 2.497 10 0 EEAEHO C[C@H](O)C[NH2+]CC1(NC(=O)c2cccc(CN(C)C)c2)CCCCC1 ZINC001441105479 1094412672 /nfs/dbraw/zinc/41/26/72/1094412672.db2.gz FTEOAGZWIPEJCB-INIZCTEOSA-N 1 3 347.503 2.151 10 0 EEAEHO O=C(NC[C@H](NCc1cncs1)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001441216091 1094580649 /nfs/dbraw/zinc/58/06/49/1094580649.db2.gz VKYJIWJIBMJLLW-INIZCTEOSA-N 1 3 348.516 2.004 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001441546211 1095270517 /nfs/dbraw/zinc/27/05/17/1095270517.db2.gz FJSINDLWVDECJL-SOUVJXGZSA-N 1 3 331.451 2.389 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@@H]([NH2+]CCC(F)(F)F)[C@H]2C1 ZINC001441862193 1095966427 /nfs/dbraw/zinc/96/64/27/1095966427.db2.gz GLTOOECVFFRTDJ-FPMFFAJLSA-N 1 3 344.381 2.121 10 0 EEAEHO CC(C)Oc1ccccc1CN[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001442006658 1096208668 /nfs/dbraw/zinc/20/86/68/1096208668.db2.gz HYGZGCZRXMHTEN-DLBZAZTESA-N 1 3 347.503 2.410 10 0 EEAEHO CC(C)Oc1ccccc1CN[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001442006658 1096208676 /nfs/dbraw/zinc/20/86/76/1096208676.db2.gz HYGZGCZRXMHTEN-DLBZAZTESA-N 1 3 347.503 2.410 10 0 EEAEHO C[C@@H](F)CC[N@H+](C)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001443336549 1097849074 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EEAEHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC001447865054 1103474448 /nfs/dbraw/zinc/47/44/48/1103474448.db2.gz JXRVSBJYRQZPIA-GJZGRUSLSA-N 1 3 345.487 2.184 10 0 EEAEHO C[C@@H]([NH2+]CCc1ccccc1F)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001447874841 1103491611 /nfs/dbraw/zinc/49/16/11/1103491611.db2.gz UISOQVAPLQTSLE-CABCVRRESA-N 1 3 335.467 2.335 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCc2ccccc2F)C1 ZINC001494118498 1103548259 /nfs/dbraw/zinc/54/82/59/1103548259.db2.gz FWKYFWSETYLFBS-APWZRJJASA-N 1 3 347.478 2.243 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCc2ccccc2F)C1 ZINC001494118498 1103548267 /nfs/dbraw/zinc/54/82/67/1103548267.db2.gz FWKYFWSETYLFBS-APWZRJJASA-N 1 3 347.478 2.243 10 0 EEAEHO CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC=C(Cl)Cl ZINC001494981338 1104623763 /nfs/dbraw/zinc/62/37/63/1104623763.db2.gz OBECTMZYSFNOKI-STQMWFEESA-N 1 3 334.291 2.132 10 0 EEAEHO C[C@@H](CNCc1cc(Cl)ccc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001498117608 1106943084 /nfs/dbraw/zinc/94/30/84/1106943084.db2.gz FYVFJPPDBKIYIC-STQMWFEESA-N 1 3 341.858 2.415 10 0 EEAEHO C[C@@H](CNCc1cc(Cl)ccc1F)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001498117608 1106943099 /nfs/dbraw/zinc/94/30/99/1106943099.db2.gz FYVFJPPDBKIYIC-STQMWFEESA-N 1 3 341.858 2.415 10 0 EEAEHO C[C@H](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCC1CC1 ZINC001480793099 1107126562 /nfs/dbraw/zinc/12/65/62/1107126562.db2.gz YRQQSVLAMSMTQM-KDOFPFPSSA-N 1 3 327.488 2.483 10 0 EEAEHO Cc1ncc(C[NH2+]C[C@H]2CCCC[C@@H]2NC(=O)C2(N(C)C)CCC2)o1 ZINC001498490533 1107626487 /nfs/dbraw/zinc/62/64/87/1107626487.db2.gz YTNOFUCYEDRDSZ-WBVHZDCISA-N 1 3 348.491 2.232 10 0 EEAEHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCCF)N1CCCC1 ZINC001498493925 1107631191 /nfs/dbraw/zinc/63/11/91/1107631191.db2.gz YTMRTAOVYZTAGQ-JKSUJKDBSA-N 1 3 327.488 2.485 10 0 EEAEHO Cc1ncc(CNCCCN(C)C(=O)c2ccc(C[NH+](C)C)cc2)o1 ZINC001498629123 1107841540 /nfs/dbraw/zinc/84/15/40/1107841540.db2.gz HDGYHGRKNQLCKT-UHFFFAOYSA-N 1 3 344.459 2.297 10 0 EEAEHO Cc1nocc1CNCCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001498629752 1107843001 /nfs/dbraw/zinc/84/30/01/1107843001.db2.gz YHDQFRSZMMBCSF-UHFFFAOYSA-N 1 3 344.459 2.297 10 0 EEAEHO CN(CC[NH2+]CC[C@@H]1CCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001493498857 1108236897 /nfs/dbraw/zinc/23/68/97/1108236897.db2.gz DUQYRGKWWSRODM-HKUYNNGSSA-N 1 3 329.488 2.249 10 0 EEAEHO Cc1cc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C)c(C)s1 ZINC001493586375 1108361954 /nfs/dbraw/zinc/36/19/54/1108361954.db2.gz PGWDNELZGPBBEF-INIZCTEOSA-N 1 3 325.522 2.499 10 0 EEAEHO CC1CCN(CC(=O)N(C)CC[NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001493743184 1108611100 /nfs/dbraw/zinc/61/11/00/1108611100.db2.gz XGCUEONVGXCQOH-OAHLLOKOSA-N 1 3 331.451 2.202 10 0 EEAEHO CC1CCN(CC(=O)N(C)CC[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001493743183 1108611178 /nfs/dbraw/zinc/61/11/78/1108611178.db2.gz XGCUEONVGXCQOH-HNNXBMFYSA-N 1 3 331.451 2.202 10 0 EEAEHO CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C3CC3)C2)(c2ccccc2)CC1 ZINC001464488585 1110395438 /nfs/dbraw/zinc/39/54/38/1110395438.db2.gz XAOZJGUDTLUZLW-GOSISDBHSA-N 1 3 341.499 2.393 10 0 EEAEHO CC[C@H]1CCC[C@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001470212888 1110503198 /nfs/dbraw/zinc/50/31/98/1110503198.db2.gz YYWGRAIQTORQFE-ULQDDVLXSA-N 1 3 326.529 2.384 10 0 EEAEHO CC[C@H]1CCC[C@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001470212888 1110503200 /nfs/dbraw/zinc/50/32/00/1110503200.db2.gz YYWGRAIQTORQFE-ULQDDVLXSA-N 1 3 326.529 2.384 10 0 EEAEHO Cc1ncc(CN[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H](C)C2)o1 ZINC001499857647 1112516727 /nfs/dbraw/zinc/51/67/27/1112516727.db2.gz LWQYMULHTWZADM-DOTOQJQBSA-N 1 3 348.491 2.328 10 0 EEAEHO CC(C)OCC[NH2+]C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001499955830 1112554867 /nfs/dbraw/zinc/55/48/67/1112554867.db2.gz XVRNGFSOMRBIML-LJQANCHMSA-N 1 3 347.503 2.367 10 0 EEAEHO CN(CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC(F)(F)F)C2)C1CCC1 ZINC001501005801 1113163631 /nfs/dbraw/zinc/16/36/31/1113163631.db2.gz IPSKCLBUISSEHL-GUTXKFCHSA-N 1 3 347.425 2.392 10 0 EEAEHO CN(CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC(F)(F)F)C2)C1CCC1 ZINC001501005801 1113163633 /nfs/dbraw/zinc/16/36/33/1113163633.db2.gz IPSKCLBUISSEHL-GUTXKFCHSA-N 1 3 347.425 2.392 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CCCc1ccsc1 ZINC001506001439 1114333671 /nfs/dbraw/zinc/33/36/71/1114333671.db2.gz ASIKNQVQHASXJC-HZPDHXFCSA-N 1 3 337.533 2.459 10 0 EEAEHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CCCc1ccsc1 ZINC001506001439 1114333675 /nfs/dbraw/zinc/33/36/75/1114333675.db2.gz ASIKNQVQHASXJC-HZPDHXFCSA-N 1 3 337.533 2.459 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001506065807 1114389975 /nfs/dbraw/zinc/38/99/75/1114389975.db2.gz WPDAXBOCRMXYMQ-HNNXBMFYSA-N 1 3 330.476 2.445 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001506065807 1114389976 /nfs/dbraw/zinc/38/99/76/1114389976.db2.gz WPDAXBOCRMXYMQ-HNNXBMFYSA-N 1 3 330.476 2.445 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCOc2ccccc2)CC1(C)C ZINC001506751390 1114864378 /nfs/dbraw/zinc/86/43/78/1114864378.db2.gz UWJNLETTWWRIRM-GOSISDBHSA-N 1 3 347.503 2.234 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCOc2ccccc2)CC1(C)C ZINC001506751390 1114864381 /nfs/dbraw/zinc/86/43/81/1114864381.db2.gz UWJNLETTWWRIRM-GOSISDBHSA-N 1 3 347.503 2.234 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCc2cc(C)ns2)C[C@@H]1C ZINC001507327084 1115194475 /nfs/dbraw/zinc/19/44/75/1115194475.db2.gz HVMXGNYMGQDONV-GJZGRUSLSA-N 1 3 338.521 2.262 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2cc(C)ns2)C[C@@H]1C ZINC001507327084 1115194477 /nfs/dbraw/zinc/19/44/77/1115194477.db2.gz HVMXGNYMGQDONV-GJZGRUSLSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1cccc(OCC[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)c1 ZINC001507331688 1115196692 /nfs/dbraw/zinc/19/66/92/1115196692.db2.gz QOQMRIVLONEJDT-QZTJIDSGSA-N 1 3 345.487 2.049 10 0 EEAEHO CC[C@@H](F)CN[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001507440034 1115270106 /nfs/dbraw/zinc/27/01/06/1115270106.db2.gz NGTADBSJKQDABE-CVEARBPZSA-N 1 3 339.499 2.437 10 0 EEAEHO C[NH+](C)CCC(=O)NCC1=CCN(CCc2ccccc2F)CC1 ZINC001508218699 1115449677 /nfs/dbraw/zinc/44/96/77/1115449677.db2.gz BVUOIERQOPRIBW-UHFFFAOYSA-N 1 3 333.451 2.068 10 0 EEAEHO COCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C1 ZINC001567922083 1124182101 /nfs/dbraw/zinc/18/21/01/1124182101.db2.gz LTEAZSATVDXOEC-ZWKOTPCHSA-N 1 3 339.524 2.210 10 0 EEAEHO COCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C1 ZINC001567922083 1124182102 /nfs/dbraw/zinc/18/21/02/1124182102.db2.gz LTEAZSATVDXOEC-ZWKOTPCHSA-N 1 3 339.524 2.210 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1ccccc1F)N(C)C ZINC001568298444 1124410314 /nfs/dbraw/zinc/41/03/14/1124410314.db2.gz PMPRNWXZWYOJKY-CRAIPNDOSA-N 1 3 337.483 2.391 10 0 EEAEHO Cc1noc(C)c1C[NH2+]CC[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC001568400457 1124470305 /nfs/dbraw/zinc/47/03/05/1124470305.db2.gz KPPONRFLDHZQDR-QGZVFWFLSA-N 1 3 348.491 2.248 10 0 EEAEHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCCN[C@@H](C)c1cnccn1 ZINC001569246651 1125192689 /nfs/dbraw/zinc/19/26/89/1125192689.db2.gz KUWAXPRQWLKVBR-FUHWJXTLSA-N 1 3 347.507 2.239 10 0 EEAEHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CCCN[C@@H](C)c1cnccn1 ZINC001569246651 1125192693 /nfs/dbraw/zinc/19/26/93/1125192693.db2.gz KUWAXPRQWLKVBR-FUHWJXTLSA-N 1 3 347.507 2.239 10 0 EEAEHO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000052593365 214135270 /nfs/dbraw/zinc/13/52/70/214135270.db2.gz NJTCSQIOPVCLCY-LJQANCHMSA-N 1 3 344.503 2.388 10 0 EEAEHO CC[N@H+]1CCC[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000052593365 214135272 /nfs/dbraw/zinc/13/52/72/214135272.db2.gz NJTCSQIOPVCLCY-LJQANCHMSA-N 1 3 344.503 2.388 10 0 EEAEHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCN3CCc4ccccc4C3)C2)C1 ZINC000416241098 530059572 /nfs/dbraw/zinc/05/95/72/530059572.db2.gz OOXPIIHEMZRMAW-OAQYLSRUSA-N 1 3 341.499 2.379 10 0 EEAEHO C[N@H+]1CCC[C@@]2(CCN(C(=O)CCN3CCc4ccccc4C3)C2)C1 ZINC000416241098 530059573 /nfs/dbraw/zinc/05/95/73/530059573.db2.gz OOXPIIHEMZRMAW-OAQYLSRUSA-N 1 3 341.499 2.379 10 0 EEAEHO C[C@@H](CNC(=O)c1ccccc1OCCN(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000068084363 215275594 /nfs/dbraw/zinc/27/55/94/215275594.db2.gz YFMXFZHKYYQHLV-IRXDYDNUSA-N 1 3 347.503 2.477 10 0 EEAEHO C[C@@H](CNC(=O)c1ccccc1OCCN(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000068084363 215275596 /nfs/dbraw/zinc/27/55/96/215275596.db2.gz YFMXFZHKYYQHLV-IRXDYDNUSA-N 1 3 347.503 2.477 10 0 EEAEHO CCN1CCN([C@@H](C[NH3+])c2ccccc2Br)C[C@@H]1C ZINC000104351342 219377606 /nfs/dbraw/zinc/37/76/06/219377606.db2.gz FBJVNWPLGYRKRL-WFASDCNBSA-N 1 3 326.282 2.475 10 0 EEAEHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000340094454 539823410 /nfs/dbraw/zinc/82/34/10/539823410.db2.gz LEDYLNSZUNMZQG-JQHSSLGASA-N 1 3 332.492 2.461 10 0 EEAEHO O=C(Nc1ccc2c(c1F)CCNC2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000415963625 239023932 /nfs/dbraw/zinc/02/39/32/239023932.db2.gz VWSYABAGGNSCNS-CQSZACIVSA-N 1 3 346.450 2.421 10 0 EEAEHO C[NH+](C)[C@@]1(CNC(=O)c2cccc(CN3CCCC3)c2)CCSC1 ZINC000267166481 256033733 /nfs/dbraw/zinc/03/37/33/256033733.db2.gz ZVNYXCRLGDQKOS-LJQANCHMSA-N 1 3 347.528 2.450 10 0 EEAEHO CN(C)CCOc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000261620320 160402191 /nfs/dbraw/zinc/40/21/91/160402191.db2.gz BZXADRYKJOPCDC-JLSDUUJJSA-N 1 3 331.460 2.486 10 0 EEAEHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247470220 160325884 /nfs/dbraw/zinc/32/58/84/160325884.db2.gz GVKXNLPRCJTEJH-MOPGFXCFSA-N 1 3 342.487 2.141 10 0 EEAEHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247470220 160325886 /nfs/dbraw/zinc/32/58/86/160325886.db2.gz GVKXNLPRCJTEJH-MOPGFXCFSA-N 1 3 342.487 2.141 10 0 EEAEHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)C(N)=O ZINC000248425435 160345450 /nfs/dbraw/zinc/34/54/50/160345450.db2.gz NXXSBQKAFCOZBS-KZNAEPCWSA-N 1 3 329.488 2.388 10 0 EEAEHO CCOC(=O)COCC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352094028 162066285 /nfs/dbraw/zinc/06/62/85/162066285.db2.gz WNQOQQQCXUUSNH-HXUWFJFHSA-N 1 3 346.471 2.164 10 0 EEAEHO CCOC(=O)COCC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352094028 162066288 /nfs/dbraw/zinc/06/62/88/162066288.db2.gz WNQOQQQCXUUSNH-HXUWFJFHSA-N 1 3 346.471 2.164 10 0 EEAEHO C[NH+](C)CCc1ccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000364212713 165053329 /nfs/dbraw/zinc/05/33/29/165053329.db2.gz KKBBMNWHLZHPCB-FUHIMQAGSA-N 1 3 345.487 2.262 10 0 EEAEHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000287136218 274938081 /nfs/dbraw/zinc/93/80/81/274938081.db2.gz MTUFHVQSXGUEBZ-RHSMWYFYSA-N 1 3 338.471 2.458 10 0 EEAEHO CC(C)[C@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)[NH+]1CCC(C)CC1 ZINC000173823994 277891983 /nfs/dbraw/zinc/89/19/83/277891983.db2.gz PFGKZYUHTSMXAM-OALUTQOASA-N 1 3 348.535 2.399 10 0 EEAEHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCNC[C@H]1C ZINC000414938370 313112714 /nfs/dbraw/zinc/11/27/14/313112714.db2.gz IMDLYDNNPMWHKG-RKVPGOIHSA-N 1 3 343.471 2.429 10 0 EEAEHO CN(CCCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000416866030 313340633 /nfs/dbraw/zinc/34/06/33/313340633.db2.gz ABXKURWXGLKYRK-SFHVURJKSA-N 1 3 330.476 2.044 10 0 EEAEHO C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H](N)c2ccccc2)cc1 ZINC000416897447 313353389 /nfs/dbraw/zinc/35/33/89/313353389.db2.gz XUCVJUCQYSERDS-GOSISDBHSA-N 1 3 326.444 2.247 10 0 EEAEHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)[C@@H](C)C1 ZINC000425436340 314394266 /nfs/dbraw/zinc/39/42/66/314394266.db2.gz WDKLLUDVXVAWHO-YESZJQIVSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)c1csc(NC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000526133334 317122945 /nfs/dbraw/zinc/12/29/45/317122945.db2.gz DDAKVBVTUWDLNL-UHFFFAOYSA-N 1 3 327.498 2.224 10 0 EEAEHO O[C@@H](COCc1ccccc1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193080773 465026092 /nfs/dbraw/zinc/02/60/92/465026092.db2.gz XJNAPVRMUGJUDA-HXUWFJFHSA-N 1 3 332.488 2.372 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]CCc2ccn(C)n2)CC1 ZINC000354674189 465088624 /nfs/dbraw/zinc/08/86/24/465088624.db2.gz LVQWMUTVUCLABR-UHFFFAOYSA-N 1 3 341.503 2.284 10 0 EEAEHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3cncnc3)CC2)c1 ZINC000171128507 463793655 /nfs/dbraw/zinc/79/36/55/463793655.db2.gz NDVWVOKICJAJIU-UHFFFAOYSA-N 1 3 339.487 2.477 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(C)s1 ZINC000337588674 465452986 /nfs/dbraw/zinc/45/29/86/465452986.db2.gz VDYSIBUCJOARJZ-MRXNPFEDSA-N 1 3 337.533 2.474 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(C)s1 ZINC000337588674 465452992 /nfs/dbraw/zinc/45/29/92/465452992.db2.gz VDYSIBUCJOARJZ-MRXNPFEDSA-N 1 3 337.533 2.474 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)C2(c3ccccc3)CC[NH2+]CC2)CCN1C ZINC000237490099 464329549 /nfs/dbraw/zinc/32/95/49/464329549.db2.gz XCUFWMCBTRYXKO-SJLPKXTDSA-N 1 3 329.488 2.249 10 0 EEAEHO CN1CCCN(CCC[NH2+][C@H]2CCc3cc4c(cc32)OCCO4)CC1 ZINC000239653672 464443783 /nfs/dbraw/zinc/44/37/83/464443783.db2.gz BKQUPOWEKHORQG-SFHVURJKSA-N 1 3 345.487 2.062 10 0 EEAEHO CCN1CCC[C@H](NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000182552582 464680487 /nfs/dbraw/zinc/68/04/87/464680487.db2.gz QCAHVOCWZGYXOF-BBWFWOEESA-N 1 3 336.524 2.423 10 0 EEAEHO CCN1CCC[C@H](NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000182552582 464680495 /nfs/dbraw/zinc/68/04/95/464680495.db2.gz QCAHVOCWZGYXOF-BBWFWOEESA-N 1 3 336.524 2.423 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000247511928 464688114 /nfs/dbraw/zinc/68/81/14/464688114.db2.gz PVHLCBUVRUJXRF-RBUKOAKNSA-N 1 3 344.503 2.341 10 0 EEAEHO CCc1ccc([C@@H](CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000247511928 464688121 /nfs/dbraw/zinc/68/81/21/464688121.db2.gz PVHLCBUVRUJXRF-RBUKOAKNSA-N 1 3 344.503 2.341 10 0 EEAEHO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000337686788 465517195 /nfs/dbraw/zinc/51/71/95/465517195.db2.gz QQMIPPHFNWKPHA-RBUKOAKNSA-N 1 3 346.519 2.190 10 0 EEAEHO CC[N@H+]1CCC[C@@H](CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000337686788 465517198 /nfs/dbraw/zinc/51/71/98/465517198.db2.gz QQMIPPHFNWKPHA-RBUKOAKNSA-N 1 3 346.519 2.190 10 0 EEAEHO CCSCC[C@@H](C)N(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000362449595 465750610 /nfs/dbraw/zinc/75/06/10/465750610.db2.gz HLGJLPXZSACRIX-CQSZACIVSA-N 1 3 327.538 2.193 10 0 EEAEHO COC1CCN(C(C)(C)CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000353435176 465879630 /nfs/dbraw/zinc/87/96/30/465879630.db2.gz TWFJBGRTDFNYBI-INIZCTEOSA-N 1 3 339.524 2.257 10 0 EEAEHO COC1CCN(C(C)(C)CNC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000353435176 465879637 /nfs/dbraw/zinc/87/96/37/465879637.db2.gz TWFJBGRTDFNYBI-INIZCTEOSA-N 1 3 339.524 2.257 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000371592272 465891906 /nfs/dbraw/zinc/89/19/06/465891906.db2.gz JPLKEYCBTVEEEW-KRWDZBQOSA-N 1 3 345.487 2.327 10 0 EEAEHO C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000368428090 466633302 /nfs/dbraw/zinc/63/33/02/466633302.db2.gz CAGYMJHTCUYDON-MFWIUYSUSA-N 1 3 345.487 2.287 10 0 EEAEHO CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423290746 466710382 /nfs/dbraw/zinc/71/03/82/466710382.db2.gz FHOLUCJTMOBYNB-UONOGXRCSA-N 1 3 347.484 2.465 10 0 EEAEHO CC1CC[NH+](CCCCNC(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000417032506 466759943 /nfs/dbraw/zinc/75/99/43/466759943.db2.gz QLSNLGQTVAVNFU-SFHVURJKSA-N 1 3 332.492 2.498 10 0 EEAEHO COc1cccc(CN(C[C@@H]2CCCO2)C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662252996 472042555 /nfs/dbraw/zinc/04/25/55/472042555.db2.gz FSWJQUSFRXKFDG-OALUTQOASA-N 1 3 346.471 2.197 10 0 EEAEHO CC[C@@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N(C)C ZINC000373416045 466796809 /nfs/dbraw/zinc/79/68/09/466796809.db2.gz FSYPSUCHXYIJKA-RUXDESIVSA-N 1 3 335.414 2.248 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CN1Cc1ccccc1 ZINC000417885460 466970087 /nfs/dbraw/zinc/97/00/87/466970087.db2.gz YFINZIUCOWCQBZ-SUMDDJOVSA-N 1 3 342.487 2.185 10 0 EEAEHO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418040689 467031901 /nfs/dbraw/zinc/03/19/01/467031901.db2.gz JIZBQCUBXJVOJG-QUCCMNQESA-N 1 3 344.503 2.435 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418548049 467126580 /nfs/dbraw/zinc/12/65/80/467126580.db2.gz JPMRTPDFTOTQMC-BHIYHBOVSA-N 1 3 344.503 2.290 10 0 EEAEHO O[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cn1cccn1 ZINC000390897417 467416183 /nfs/dbraw/zinc/41/61/83/467416183.db2.gz OIULBEHRTNXPHV-RAFMOHDBSA-N 1 3 340.471 2.029 10 0 EEAEHO O[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cn1cccn1 ZINC000390897417 467416186 /nfs/dbraw/zinc/41/61/86/467416186.db2.gz OIULBEHRTNXPHV-RAFMOHDBSA-N 1 3 340.471 2.029 10 0 EEAEHO COc1cc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)sn1 ZINC000399020434 467451875 /nfs/dbraw/zinc/45/18/75/467451875.db2.gz DSEQBSSNDPMRJC-UHFFFAOYSA-N 1 3 347.484 2.268 10 0 EEAEHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000439213654 467566612 /nfs/dbraw/zinc/56/66/12/467566612.db2.gz MDZSKZJJNODPEF-SOLBZPMBSA-N 1 3 339.524 2.159 10 0 EEAEHO C[C@H]1C[N@H+](Cc2cc3cccnc3o2)CC[C@H]1N1CCN(C)CC1 ZINC000449033695 467614369 /nfs/dbraw/zinc/61/43/69/467614369.db2.gz AFJFHVMFPBMHTL-MAUKXSAKSA-N 1 3 328.460 2.286 10 0 EEAEHO C[C@H]1C[N@@H+](Cc2cc3cccnc3o2)CC[C@H]1N1CCN(C)CC1 ZINC000449033695 467614370 /nfs/dbraw/zinc/61/43/70/467614370.db2.gz AFJFHVMFPBMHTL-MAUKXSAKSA-N 1 3 328.460 2.286 10 0 EEAEHO c1cnn(-c2cccc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)c2)c1 ZINC000530241292 467967173 /nfs/dbraw/zinc/96/71/73/467967173.db2.gz PPPOLOKIWVJQHT-HXUWFJFHSA-N 1 3 340.471 2.463 10 0 EEAEHO NC[C@H]1c2ccccc2CCN1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000519601162 468180393 /nfs/dbraw/zinc/18/03/93/468180393.db2.gz NKYDVHJWCWIEPI-MPGHIAIKSA-N 1 3 330.476 2.019 10 0 EEAEHO C[C@H](NCCOCCC[NH3+])c1ccc(I)cc1 ZINC000600711148 468628897 /nfs/dbraw/zinc/62/88/97/468628897.db2.gz RGSQCQNMHJNTCM-NSHDSACASA-N 1 3 348.228 2.307 10 0 EEAEHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000584709430 468917574 /nfs/dbraw/zinc/91/75/74/468917574.db2.gz FPMYEPGBFVAGFZ-ATLSCFEFSA-N 1 3 330.476 2.119 10 0 EEAEHO NC[C@H]1c2ccccc2CCN1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000563093485 469168150 /nfs/dbraw/zinc/16/81/50/469168150.db2.gz SEIVDBYJWCKCOB-ROUUACIJSA-N 1 3 330.476 2.162 10 0 EEAEHO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CCN1C ZINC000625801065 469393291 /nfs/dbraw/zinc/39/32/91/469393291.db2.gz AWQVMSAXUPHIQY-DSLXNQLJSA-N 1 3 329.488 2.273 10 0 EEAEHO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCN1C ZINC000625801065 469393294 /nfs/dbraw/zinc/39/32/94/469393294.db2.gz AWQVMSAXUPHIQY-DSLXNQLJSA-N 1 3 329.488 2.273 10 0 EEAEHO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623429302 469654519 /nfs/dbraw/zinc/65/45/19/469654519.db2.gz XACPNRRIMMPKQN-QAPCUYQASA-N 1 3 342.487 2.287 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(-c2cnco2)cc1 ZINC000617504998 469704019 /nfs/dbraw/zinc/70/40/19/469704019.db2.gz SMWBWRLDWZXPSF-HNNXBMFYSA-N 1 3 344.459 2.343 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(-c2cnco2)cc1 ZINC000617504998 469704023 /nfs/dbraw/zinc/70/40/23/469704023.db2.gz SMWBWRLDWZXPSF-HNNXBMFYSA-N 1 3 344.459 2.343 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000617506873 469706200 /nfs/dbraw/zinc/70/62/00/469706200.db2.gz AYLSEAGSNQKNDP-ZDUSSCGKSA-N 1 3 349.504 2.140 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000617506873 469706204 /nfs/dbraw/zinc/70/62/04/469706204.db2.gz AYLSEAGSNQKNDP-ZDUSSCGKSA-N 1 3 349.504 2.140 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000626916430 469753663 /nfs/dbraw/zinc/75/36/63/469753663.db2.gz CXZNQUBCSZZHFY-KSZLIROESA-N 1 3 330.476 2.263 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000627158027 469828139 /nfs/dbraw/zinc/82/81/39/469828139.db2.gz HDXZMLZWVQBHMY-CEXWTWQISA-N 1 3 344.503 2.085 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000627167330 469831623 /nfs/dbraw/zinc/83/16/23/469831623.db2.gz AYPXXAZMQVRHEK-ZWKOTPCHSA-N 1 3 332.492 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/nfs/dbraw/zinc/78/54/71/1183785471.db2.gz UDTPWHXKGAJIMN-SJORKVTESA-N 1 3 348.491 2.246 10 0 EEAEHO Cc1ccccc1OCC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001269422683 1184254719 /nfs/dbraw/zinc/25/47/19/1184254719.db2.gz KJSMJTHVESBSEL-UHFFFAOYSA-N 1 3 345.487 2.097 10 0 EEAEHO CC[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCOC(C)C ZINC001269472176 1184291920 /nfs/dbraw/zinc/29/19/20/1184291920.db2.gz WMEYPWVIVIDFPA-YJBOKZPZSA-N 1 3 345.503 2.108 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001482699973 1187678058 /nfs/dbraw/zinc/67/80/58/1187678058.db2.gz XVAMSTZTLGSPFN-OALUTQOASA-N 1 3 331.504 2.444 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)CN(C)C1CCC1 ZINC001482840125 1187759557 /nfs/dbraw/zinc/75/95/57/1187759557.db2.gz RHWIVJIZPUUDSD-ZDUSSCGKSA-N 1 3 339.430 2.434 10 0 EEAEHO Cc1ncsc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001482889740 1187816891 /nfs/dbraw/zinc/81/68/91/1187816891.db2.gz RYDTWPHRUZLVJJ-IUODEOHRSA-N 1 3 326.510 2.022 10 0 EEAEHO C[C@H](C[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)c1cccc(CN(C)C)c1 ZINC001483198751 1189094801 /nfs/dbraw/zinc/09/48/01/1189094801.db2.gz YSIWNGCVSOCXQP-CRAIPNDOSA-N 1 3 347.503 2.271 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)[C@H](C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001485839541 1193610716 /nfs/dbraw/zinc/61/07/16/1193610716.db2.gz ZLZUUAKZBRMYGT-GOSISDBHSA-N 1 3 335.467 2.493 10 0 EEAEHO COc1cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C2CCC2)ccc1C ZINC001409382037 1189605176 /nfs/dbraw/zinc/60/51/76/1189605176.db2.gz PKCMJJRYCMOUIN-HZPDHXFCSA-N 1 3 347.503 2.471 10 0 EEAEHO CN(CCC[NH2+]Cc1ccnc(Cl)c1)C(=O)[C@@H]1CCCCN1C ZINC001483474400 1190495988 /nfs/dbraw/zinc/49/59/88/1190495988.db2.gz JTDPEBFKXWKZCY-HNNXBMFYSA-N 1 3 338.883 2.157 10 0 EEAEHO CC(C)COCC[NH2+][C@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001691636915 1190744815 /nfs/dbraw/zinc/74/48/15/1190744815.db2.gz PEVJOJYTZZWSBF-SFHVURJKSA-N 1 3 341.540 2.360 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@H](CC[NH2+]Cc3ccccc3F)C2)C1 ZINC001272566090 1190881197 /nfs/dbraw/zinc/88/11/97/1190881197.db2.gz RSVFSWIWMKUKQD-IRXDYDNUSA-N 1 3 347.478 2.496 10 0 EEAEHO Cc1ccccc1OCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001483924528 1191118451 /nfs/dbraw/zinc/11/84/51/1191118451.db2.gz JFVXJRSPHRRRQV-ROUUACIJSA-N 1 3 345.487 2.049 10 0 EEAEHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)[C@H](C)c1cccc(F)c1 ZINC001485375789 1191764506 /nfs/dbraw/zinc/76/45/06/1191764506.db2.gz AFULCCLXQNUXNL-HUUCEWRRSA-N 1 3 333.451 2.419 10 0 EEAEHO COCC[NH2+]C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C(C)(C)C ZINC001486418091 1193947945 /nfs/dbraw/zinc/94/79/45/1193947945.db2.gz SBTKOPKIBDTRFI-HZPDHXFCSA-N 1 3 327.513 2.018 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001410230204 1197620131 /nfs/dbraw/zinc/62/01/31/1197620131.db2.gz VCVZXCDBCHTHKV-RBSFLKMASA-N 1 3 331.451 2.248 10 0 EEAEHO Cc1cc(C[NH2+][C@H](CCNC(=O)C2(N(C)C)CCC2)C(C)C)on1 ZINC001410246136 1197632121 /nfs/dbraw/zinc/63/21/21/1197632121.db2.gz GCARBHSVHVYZBT-MRXNPFEDSA-N 1 3 336.480 2.088 10 0 EEAEHO CCCN(C)CC(=O)N1CCC([N@H+](C)CCC[C@@H]2CCOC2)CC1 ZINC001410254407 1197639051 /nfs/dbraw/zinc/63/90/51/1197639051.db2.gz TXVKJCIKHLSNGT-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCN(C)CC(=O)N1CCC([N@@H+](C)CCC[C@@H]2CCOC2)CC1 ZINC001410254407 1197639053 /nfs/dbraw/zinc/63/90/53/1197639053.db2.gz TXVKJCIKHLSNGT-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO CO[C@H](C[N@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1)C1CCC1 ZINC001410257435 1197642053 /nfs/dbraw/zinc/64/20/53/1197642053.db2.gz IMYMVAWPDCZDDU-GOSISDBHSA-N 1 3 339.524 2.065 10 0 EEAEHO CO[C@H](C[N@@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1)C1CCC1 ZINC001410257435 1197642054 /nfs/dbraw/zinc/64/20/54/1197642054.db2.gz IMYMVAWPDCZDDU-GOSISDBHSA-N 1 3 339.524 2.065 10 0 EEAEHO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C(C)C)C2)cc1 ZINC001410840572 1198489077 /nfs/dbraw/zinc/48/90/77/1198489077.db2.gz DNCNHFGLWDTKQX-RDJZCZTQSA-N 1 3 333.476 2.114 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CC2CC2)C1 ZINC001411230385 1198940633 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1206126985 /nfs/dbraw/zinc/12/69/85/1206126985.db2.gz JYVIYOWJTGYBAU-KZNAEPCWSA-N 1 3 327.472 2.080 10 0 EEAEHO CN(C[C@H](O)CCC1(O)CCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000929755655 1206498526 /nfs/dbraw/zinc/49/85/26/1206498526.db2.gz VVNIABODARVKMQ-WOJBJXKFSA-N 1 3 346.515 2.496 10 0 EEAEHO CN(C[C@H](O)CCC1(O)CCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000929755655 1206498528 /nfs/dbraw/zinc/49/85/28/1206498528.db2.gz VVNIABODARVKMQ-WOJBJXKFSA-N 1 3 346.515 2.496 10 0 EEAEHO CCSc1ccccc1CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903476050 1240584307 /nfs/dbraw/zinc/58/43/07/1240584307.db2.gz MCHMHCSKDDBYSX-XHSDSOJGSA-N 1 3 347.484 2.166 10 0 EEAEHO Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cnn1C ZINC000903932926 1242554869 /nfs/dbraw/zinc/55/48/69/1242554869.db2.gz IDSLFOXPBAKFJF-ZIFCJYIRSA-N 1 3 334.508 2.127 10 0 EEAEHO Cc1c(C[C@H](CN)C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cnn1C ZINC000903932926 1242554874 /nfs/dbraw/zinc/55/48/74/1242554874.db2.gz IDSLFOXPBAKFJF-ZIFCJYIRSA-N 1 3 334.508 2.127 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@H]([C@H]3CCCCO3)C2)cnn1C ZINC000903932926 1242554878 /nfs/dbraw/zinc/55/48/78/1242554878.db2.gz IDSLFOXPBAKFJF-ZIFCJYIRSA-N 1 3 334.508 2.127 10 0 EEAEHO FC(F)(F)CCN1CCC([NH2+]C[C@@H]2CNCCC2(F)F)CC1 ZINC000903957691 1242720582 /nfs/dbraw/zinc/72/05/82/1242720582.db2.gz SNCUZWSRTJJTAW-NSHDSACASA-N 1 3 329.357 2.238 10 0 EEAEHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC001490977035 1258526059 /nfs/dbraw/zinc/52/60/59/1258526059.db2.gz OFJKBWSFUGNGRA-AYHJJNSGSA-N 1 3 330.476 2.033 10 0 EEAEHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC001490977035 1258526067 /nfs/dbraw/zinc/52/60/67/1258526067.db2.gz OFJKBWSFUGNGRA-AYHJJNSGSA-N 1 3 330.476 2.033 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001410513017 1277969501 /nfs/dbraw/zinc/96/95/01/1277969501.db2.gz ONNOXQWGWZPHOP-ZDUSSCGKSA-N 1 3 327.419 2.242 10 0 EEAEHO Cc1noc(C)c1CN[C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001490309114 1291180151 /nfs/dbraw/zinc/18/01/51/1291180151.db2.gz YBAVEAWQXAEVLZ-PBHICJAKSA-N 1 3 336.480 2.102 10 0 EEAEHO COc1cccc(C[N@H+](CCCNC(=O)[C@H]2CCCN2C)C2CC2)c1 ZINC001490367120 1291248451 /nfs/dbraw/zinc/24/84/51/1291248451.db2.gz MNCNDRNGNXQUAB-LJQANCHMSA-N 1 3 345.487 2.260 10 0 EEAEHO COc1cccc(C[N@@H+](CCCNC(=O)[C@H]2CCCN2C)C2CC2)c1 ZINC001490367120 1291248460 /nfs/dbraw/zinc/24/84/60/1291248460.db2.gz MNCNDRNGNXQUAB-LJQANCHMSA-N 1 3 345.487 2.260 10 0 EEAEHO CN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@@H](CNCCF)C1CC1 ZINC001277677893 1304162434 /nfs/dbraw/zinc/16/24/34/1304162434.db2.gz PGIJESUULPEEOV-INIZCTEOSA-N 1 3 327.488 2.295 10 0 EEAEHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1ccnc(Cl)c1 ZINC001491560852 1304438560 /nfs/dbraw/zinc/43/85/60/1304438560.db2.gz RORSUHVXHCASPC-IPYPFGDCSA-N 1 3 338.883 2.060 10 0 EEAEHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1ccnc(Cl)c1 ZINC001491560852 1304438564 /nfs/dbraw/zinc/43/85/64/1304438564.db2.gz RORSUHVXHCASPC-IPYPFGDCSA-N 1 3 338.883 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2.140 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001448471028 1093485053 /nfs/dbraw/zinc/48/50/53/1093485053.db2.gz NIHPPPOXRGYULQ-OKZBNKHCSA-N 1 3 344.503 2.140 10 0 EEAEHO Cc1ncc(CN2CCC[C@@H](NC(=O)CCC[NH+](C)C)CC2)s1 ZINC001440397037 1093576880 /nfs/dbraw/zinc/57/68/80/1093576880.db2.gz PEMZJTUFMPTBCS-OAHLLOKOSA-N 1 3 338.521 2.264 10 0 EEAEHO CCO[C@H](C[N@H+](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1)C1CC1 ZINC001448539987 1093578016 /nfs/dbraw/zinc/57/80/16/1093578016.db2.gz WHZJIRSVAITTTG-QZTJIDSGSA-N 1 3 339.524 2.065 10 0 EEAEHO CCO[C@H](C[N@@H+](C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1)C1CC1 ZINC001448539987 1093578026 /nfs/dbraw/zinc/57/80/26/1093578026.db2.gz WHZJIRSVAITTTG-QZTJIDSGSA-N 1 3 339.524 2.065 10 0 EEAEHO Cc1cccnc1CNC[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001440418623 1093612830 /nfs/dbraw/zinc/61/28/30/1093612830.db2.gz FWHJKWJSNKEZGI-WBVHZDCISA-N 1 3 332.492 2.058 10 0 EEAEHO CCC1([NH2+]CC[C@H](C)F)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001440531005 1093789996 /nfs/dbraw/zinc/78/99/96/1093789996.db2.gz MEFJTKXCYVPQHC-CVEARBPZSA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1cccnc1CN1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001440536981 1093800366 /nfs/dbraw/zinc/80/03/66/1093800366.db2.gz ITFMUACEERDTQE-HXUWFJFHSA-N 1 3 344.503 2.156 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001440594084 1093859191 /nfs/dbraw/zinc/85/91/91/1093859191.db2.gz NGGAQKJLEUYTKL-SUMWQHHRSA-N 1 3 339.430 2.242 10 0 EEAEHO Cc1conc1CN[C@H](CCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001441409093 1094985876 /nfs/dbraw/zinc/98/58/76/1094985876.db2.gz AXVBTTRUOWNXRT-MRXNPFEDSA-N 1 3 348.491 2.232 10 0 EEAEHO COc1cc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C(C)C)C2)ccc1C ZINC001441837507 1095907395 /nfs/dbraw/zinc/90/73/95/1095907395.db2.gz PGBQHKFSWSHVPP-WMZOPIPTSA-N 1 3 347.503 2.423 10 0 EEAEHO CC(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C(F)(F)F ZINC001441927574 1096114153 /nfs/dbraw/zinc/11/41/53/1096114153.db2.gz FLMGJVPNLUKMED-KBPBESRZSA-N 1 3 337.430 2.209 10 0 EEAEHO Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001441949180 1096148378 /nfs/dbraw/zinc/14/83/78/1096148378.db2.gz KTSVTYROKGTZFC-HOTGVXAUSA-N 1 3 346.519 2.450 10 0 EEAEHO CN(C(=O)CC[NH+](C)C)C1CC(NCc2sccc2Cl)C1 ZINC001442254859 1096556541 /nfs/dbraw/zinc/55/65/41/1096556541.db2.gz QPQHZMSDXRQBGN-UHFFFAOYSA-N 1 3 329.897 2.432 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1CCc1ccccc1F ZINC001479716651 1098799971 /nfs/dbraw/zinc/79/99/71/1098799971.db2.gz MXMBAMOHONZMMX-QAPCUYQASA-N 1 3 335.467 2.289 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1CC[C@@H]1CC1(Cl)Cl ZINC001479719228 1098807178 /nfs/dbraw/zinc/80/71/78/1098807178.db2.gz OWSADFYBJHCCKP-UPJWGTAASA-N 1 3 336.307 2.101 10 0 EEAEHO Cc1ncc(CN[C@@H](C)[C@@H]2CCCCN2C(=O)CC[NH+](C)C)s1 ZINC001479833296 1099116198 /nfs/dbraw/zinc/11/61/98/1099116198.db2.gz ZPBVJAQQNBYQRS-BBRMVZONSA-N 1 3 338.521 2.262 10 0 EEAEHO CCCN(C)CC(=O)N(C)C1CC[NH+](C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001479896098 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C[C@H](O)C[NH2+]CC1(NC(=O)[C@H](C)N2CCCCCC2)CCCCC1 ZINC001448224544 1104210599 /nfs/dbraw/zinc/21/05/99/1104210599.db2.gz KKHYJJDXKIBNOU-IRXDYDNUSA-N 1 3 339.524 2.040 10 0 EEAEHO Cc1ncc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CN(C)C(C)C)C2)s1 ZINC001480709179 1106929822 /nfs/dbraw/zinc/92/98/22/1106929822.db2.gz JQIBIOMUWFWSGQ-CABCVRRESA-N 1 3 338.521 2.309 10 0 EEAEHO Cc1ccc(CCC[NH2+]C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001498118598 1106944566 /nfs/dbraw/zinc/94/45/66/1106944566.db2.gz SUTCFLBLZMQOIT-MSOLQXFVSA-N 1 3 331.504 2.364 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001498446741 1107546296 /nfs/dbraw/zinc/54/62/96/1107546296.db2.gz YLPDBNZUFFFPSY-AAEUAGOBSA-N 1 3 328.407 2.133 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001498446741 1107546302 /nfs/dbraw/zinc/54/63/02/1107546302.db2.gz YLPDBNZUFFFPSY-AAEUAGOBSA-N 1 3 328.407 2.133 10 0 EEAEHO CN(C)C1(C(=O)N(C)CCC[NH2+]Cc2cc(F)ccc2F)CCC1 ZINC001498559618 1107723128 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Cc1cncc(CN(C)CCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001502390978 1113661912 /nfs/dbraw/zinc/66/19/12/1113661912.db2.gz XKIGRHXRCWSTRR-QGZVFWFLSA-N 1 3 332.492 2.012 10 0 EEAEHO Cc1cncc(CN(C)CCCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001502390978 1113661914 /nfs/dbraw/zinc/66/19/14/1113661914.db2.gz XKIGRHXRCWSTRR-QGZVFWFLSA-N 1 3 332.492 2.012 10 0 EEAEHO Cc1noc(C)c1CN[C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001505667132 1114119180 /nfs/dbraw/zinc/11/91/80/1114119180.db2.gz IXSLPDUHWOOEDW-OLZOCXBDSA-N 1 3 336.480 2.149 10 0 EEAEHO C[C@H](NCc1cncs1)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001505756825 1114171619 /nfs/dbraw/zinc/17/16/19/1114171619.db2.gz IGIHVKPQCBUMFG-GJZGRUSLSA-N 1 3 338.521 2.392 10 0 EEAEHO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)CN(C)C(C)C ZINC001507730170 1115335793 /nfs/dbraw/zinc/33/57/93/1115335793.db2.gz STQFTHGXOFFGHD-ROUUACIJSA-N 1 3 349.519 2.147 10 0 EEAEHO Cc1ccccc1[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)CN(C)C(C)C ZINC001507730170 1115335796 /nfs/dbraw/zinc/33/57/96/1115335796.db2.gz STQFTHGXOFFGHD-ROUUACIJSA-N 1 3 349.519 2.147 10 0 EEAEHO CCN(CC[NH2+]Cc1ccc2ncccc2c1)C(=O)[C@@H]1CCCN1C ZINC001568730415 1124744190 /nfs/dbraw/zinc/74/41/90/1124744190.db2.gz BOEOOTREOLKZDO-IBGZPJMESA-N 1 3 340.471 2.267 10 0 EEAEHO CCN(CCNCc1ccc(Cl)nc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001568791662 1124804654 /nfs/dbraw/zinc/80/46/54/1124804654.db2.gz PVYSEHXUDNFCDE-AWEZNQCLSA-N 1 3 338.883 2.015 10 0 EEAEHO CCN(CCNCc1ccc(Cl)nc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001568791662 1124804658 /nfs/dbraw/zinc/80/46/58/1124804658.db2.gz PVYSEHXUDNFCDE-AWEZNQCLSA-N 1 3 338.883 2.015 10 0 EEAEHO CCN(CC[NH2+]C[C@@H](O)c1ccccc1)C(=O)[C@H]1CCCCN1CC ZINC001568800964 1124815622 /nfs/dbraw/zinc/81/56/22/1124815622.db2.gz XUFKLFUNKGVKJW-RTBURBONSA-N 1 3 347.503 2.033 10 0 EEAEHO CN1CC[C@H]2[C@@H](CCCN2C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000246049559 282080074 /nfs/dbraw/zinc/08/00/74/282080074.db2.gz XXVNDPYIUVKHCG-IKJBURDNSA-N 1 3 336.524 2.233 10 0 EEAEHO CCOC(=O)c1csc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000423072226 240351299 /nfs/dbraw/zinc/35/12/99/240351299.db2.gz PLTRYKUEKVVYJH-BFHYXJOUSA-N 1 3 337.489 2.373 10 0 EEAEHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000423106600 283505332 /nfs/dbraw/zinc/50/53/32/283505332.db2.gz JUFIIGUZCGZGPE-IUODEOHRSA-N 1 3 338.883 2.380 10 0 EEAEHO CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000425365435 241139596 /nfs/dbraw/zinc/13/95/96/241139596.db2.gz YIHBLBSYKHEKNW-ROUUACIJSA-N 1 3 347.528 2.496 10 0 EEAEHO O=C(NCC1(N2CCCCC2)CCOCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238002595 242891328 /nfs/dbraw/zinc/89/13/28/242891328.db2.gz RBEXDLOGZXIBOC-SQNIBIBYSA-N 1 3 349.519 2.058 10 0 EEAEHO COc1cccc([C@H](C)[NH+]2CCC(C(=O)NCCN(C)C)CC2)c1 ZINC000079409080 292196006 /nfs/dbraw/zinc/19/60/06/292196006.db2.gz ROVCCXKJMOHSDG-HNNXBMFYSA-N 1 3 333.476 2.146 10 0 EEAEHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000247530372 160327497 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CN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCN(C2CC2)C1 ZINC000349664088 289279203 /nfs/dbraw/zinc/27/92/03/289279203.db2.gz GEPIIPHAYUXRCX-MSOLQXFVSA-N 1 3 336.524 2.375 10 0 EEAEHO COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CCN(CCN(C)C)CC1 ZINC000281318629 292749037 /nfs/dbraw/zinc/74/90/37/292749037.db2.gz SIYYMDHJXWYDTM-SFHVURJKSA-N 1 3 335.467 2.437 10 0 EEAEHO C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1cnccc1N ZINC000423027440 290064057 /nfs/dbraw/zinc/06/40/57/290064057.db2.gz OZMWDTUBVSLUTB-ZFWWWQNUSA-N 1 3 326.448 2.203 10 0 EEAEHO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000176027279 295621193 /nfs/dbraw/zinc/62/11/93/295621193.db2.gz FDGVVOFLXOHAQE-GOSISDBHSA-N 1 3 332.492 2.049 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CN1C1CC1 ZINC000129955998 297272791 /nfs/dbraw/zinc/27/27/91/297272791.db2.gz LUCMONANMCPZAJ-NUJGCVRESA-N 1 3 334.508 2.272 10 0 EEAEHO Cn1ncc2c1CCC[C@@H]2[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000124782581 303056275 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2.470 10 0 EEAEHO CCCC(=O)NC[C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000577117188 320233362 /nfs/dbraw/zinc/23/33/62/320233362.db2.gz PYRMQXOLXGKHBF-QGZVFWFLSA-N 1 3 329.488 2.461 10 0 EEAEHO CCc1cc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)no1 ZINC000608315798 449804810 /nfs/dbraw/zinc/80/48/10/449804810.db2.gz UHCGRBJZUCWBNE-CQSZACIVSA-N 1 3 337.468 2.117 10 0 EEAEHO CCc1cc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)no1 ZINC000608315798 449804819 /nfs/dbraw/zinc/80/48/19/449804819.db2.gz UHCGRBJZUCWBNE-CQSZACIVSA-N 1 3 337.468 2.117 10 0 EEAEHO COc1ccc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)c(OC)c1 ZINC000121077917 463075566 /nfs/dbraw/zinc/07/55/66/463075566.db2.gz KZNGBCWSLVSAIL-HNNXBMFYSA-N 1 3 336.476 2.228 10 0 EEAEHO CC(C)N1CCCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000068776413 463173236 /nfs/dbraw/zinc/17/32/36/463173236.db2.gz IIISQAGZWRHPKF-UHFFFAOYSA-N 1 3 333.476 2.183 10 0 EEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000123172587 463322013 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CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc(Cl)cs1 ZINC000279271399 464085860 /nfs/dbraw/zinc/08/58/60/464085860.db2.gz RSRKWHXNUUYORK-GFCCVEGCSA-N 1 3 344.912 2.285 10 0 EEAEHO Cc1ccc(NC(=O)N2CCC([NH+](C)C)CC2)c(OCCN(C)C)c1 ZINC000172501928 464094225 /nfs/dbraw/zinc/09/42/25/464094225.db2.gz AIZDXTXMFSHWQW-UHFFFAOYSA-N 1 3 348.491 2.493 10 0 EEAEHO [NH3+][C@@H](CCC(=O)NCCCNCc1cccnc1)c1ccccc1 ZINC000237934597 464406555 /nfs/dbraw/zinc/40/65/55/464406555.db2.gz XQEIWCMLYUYUIE-SFHVURJKSA-N 1 3 326.444 2.158 10 0 EEAEHO CCC[C@H](N)C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000182513240 464672472 /nfs/dbraw/zinc/67/24/72/464672472.db2.gz XQBXEJLDSRPBDP-OALUTQOASA-N 1 3 347.503 2.018 10 0 EEAEHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000352154510 465480526 /nfs/dbraw/zinc/48/05/26/465480526.db2.gz PBHZNVQECKHBAC-HJOIGYKYSA-N 1 3 338.540 2.479 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1 ZINC000176883731 464873717 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EEAEHO CN(C)C(=O)COc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367620573 466453750 /nfs/dbraw/zinc/45/37/50/466453750.db2.gz DAHJXPPZSGAQAO-IPMKNSEASA-N 1 3 345.487 2.116 10 0 EEAEHO CN(C)C(=O)COc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367620573 466453756 /nfs/dbraw/zinc/45/37/56/466453756.db2.gz DAHJXPPZSGAQAO-IPMKNSEASA-N 1 3 345.487 2.116 10 0 EEAEHO CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c1 ZINC000367620573 466453763 /nfs/dbraw/zinc/45/37/63/466453763.db2.gz DAHJXPPZSGAQAO-IPMKNSEASA-N 1 3 345.487 2.116 10 0 EEAEHO C[C@H](N[C@@H]1CNCCC1(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000423471741 466754142 /nfs/dbraw/zinc/75/41/42/466754142.db2.gz HTMWUCGYJCKAOH-XJKSGUPXSA-N 1 3 327.419 2.275 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000417224770 466808743 /nfs/dbraw/zinc/80/87/43/466808743.db2.gz WDJOMIGTVMTKEH-MJBXVCDLSA-N 1 3 346.466 2.039 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000417224770 466808750 /nfs/dbraw/zinc/80/87/50/466808750.db2.gz WDJOMIGTVMTKEH-MJBXVCDLSA-N 1 3 346.466 2.039 10 0 EEAEHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](N)c2ccccc2)C1 ZINC000417240374 466812230 /nfs/dbraw/zinc/81/22/30/466812230.db2.gz PKLXPNQZKLXJOC-RDJZCZTQSA-N 1 3 332.492 2.496 10 0 EEAEHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](N)c2ccccc2)C1 ZINC000417240374 466812235 /nfs/dbraw/zinc/81/22/35/466812235.db2.gz PKLXPNQZKLXJOC-RDJZCZTQSA-N 1 3 332.492 2.496 10 0 EEAEHO CN(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417945253 466997384 /nfs/dbraw/zinc/99/73/84/466997384.db2.gz QPOIKNIHRYXQPI-YZYRWKSTSA-N 1 3 342.487 2.356 10 0 EEAEHO C[C@]1(C[NH3+])CCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000418042526 467032196 /nfs/dbraw/zinc/03/21/96/467032196.db2.gz LVCCBTUPRTYWRK-WOJBJXKFSA-N 1 3 344.503 2.421 10 0 EEAEHO C[C@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[C@H](c1ccccc1)N(C)C ZINC000418180774 467067403 /nfs/dbraw/zinc/06/74/03/467067403.db2.gz KTBBKCOAOFWMFQ-BMGDILEWSA-N 1 3 330.476 2.214 10 0 EEAEHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418546428 467126990 /nfs/dbraw/zinc/12/69/90/467126990.db2.gz HKMXSAZFXYKWPX-QGZVFWFLSA-N 1 3 336.455 2.041 10 0 EEAEHO CN(C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418764632 467157101 /nfs/dbraw/zinc/15/71/01/467157101.db2.gz KZIIUQPQMCKRCV-KZNAEPCWSA-N 1 3 330.476 2.030 10 0 EEAEHO CCO[C@H]1C[C@@H]([NH2+]CC(=O)NC2CCN(C3CC3)CC2)C12CCCC2 ZINC000450970023 467217878 /nfs/dbraw/zinc/21/78/78/467217878.db2.gz MFQDZYJVZRZWCH-MSOLQXFVSA-N 1 3 349.519 2.057 10 0 EEAEHO COCCOCCOc1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000429018551 467292169 /nfs/dbraw/zinc/29/21/69/467292169.db2.gz ISJVTCLTWVKUTC-HXUWFJFHSA-N 1 3 348.487 2.256 10 0 EEAEHO COCCOCCOc1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000429018551 467292170 /nfs/dbraw/zinc/29/21/70/467292170.db2.gz ISJVTCLTWVKUTC-HXUWFJFHSA-N 1 3 348.487 2.256 10 0 EEAEHO COCc1cccc(OCC2(CN3CCC(O)(C[NH3+])CC3)CCC2)c1 ZINC000420407497 467398295 /nfs/dbraw/zinc/39/82/95/467398295.db2.gz UFNDFMZWXJXQEI-UHFFFAOYSA-N 1 3 348.487 2.168 10 0 EEAEHO C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)N(C)C ZINC000454195862 467575750 /nfs/dbraw/zinc/57/57/50/467575750.db2.gz PLUAUOBKCULKCC-INIZCTEOSA-N 1 3 332.492 2.422 10 0 EEAEHO C[C@@H](CNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)[NH+](C)C ZINC000454382490 467589211 /nfs/dbraw/zinc/58/92/11/467589211.db2.gz FHLPBTUOPYRGCP-WMZOPIPTSA-N 1 3 332.492 2.290 10 0 EEAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CCN2CCCOCC2)CC1 ZINC000449323997 467630815 /nfs/dbraw/zinc/63/08/15/467630815.db2.gz CLNHZFOJBAIGKR-LJQANCHMSA-N 1 3 345.531 2.394 10 0 EEAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCN2CCCOCC2)CC1 ZINC000449323997 467630816 /nfs/dbraw/zinc/63/08/16/467630816.db2.gz CLNHZFOJBAIGKR-LJQANCHMSA-N 1 3 345.531 2.394 10 0 EEAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCN2CCCOCC2)CC1 ZINC000449323996 467631113 /nfs/dbraw/zinc/63/11/13/467631113.db2.gz CLNHZFOJBAIGKR-IBGZPJMESA-N 1 3 345.531 2.394 10 0 EEAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCN2CCCOCC2)CC1 ZINC000449323996 467631114 /nfs/dbraw/zinc/63/11/14/467631114.db2.gz CLNHZFOJBAIGKR-IBGZPJMESA-N 1 3 345.531 2.394 10 0 EEAEHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000457915012 467728800 /nfs/dbraw/zinc/72/88/00/467728800.db2.gz QNMBRZBUIGOMLD-MOPGFXCFSA-N 1 3 346.519 2.283 10 0 EEAEHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000457915012 467728805 /nfs/dbraw/zinc/72/88/05/467728805.db2.gz QNMBRZBUIGOMLD-MOPGFXCFSA-N 1 3 346.519 2.283 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000459094569 467949271 /nfs/dbraw/zinc/94/92/71/467949271.db2.gz WZRQCJXCYDOGAN-BZSNNMDCSA-N 1 3 336.524 2.090 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000459094569 467949274 /nfs/dbraw/zinc/94/92/74/467949274.db2.gz WZRQCJXCYDOGAN-BZSNNMDCSA-N 1 3 336.524 2.090 10 0 EEAEHO CN1CC[C@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)[C@@H]2CCC[C@@H]21 ZINC000515239400 467981782 /nfs/dbraw/zinc/98/17/82/467981782.db2.gz DNCOBCRQDJGZAB-ULQDDVLXSA-N 1 3 337.489 2.021 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CCN1C ZINC000516876089 468052669 /nfs/dbraw/zinc/05/26/69/468052669.db2.gz MPRXIVAUECRNGN-PVAVHDDUSA-N 1 3 339.549 2.145 10 0 EEAEHO CCOc1ccc(OC[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000578859264 468268716 /nfs/dbraw/zinc/26/87/16/468268716.db2.gz KXIZGUIIWALBST-FBVQUNGASA-N 1 3 348.487 2.430 10 0 EEAEHO CCOc1ccc(OC[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000578859264 468268718 /nfs/dbraw/zinc/26/87/18/468268718.db2.gz KXIZGUIIWALBST-FBVQUNGASA-N 1 3 348.487 2.430 10 0 EEAEHO C[NH+](C)C1(CNC(=O)N2CCc3ccccc3[C@H]2CN)CCCC1 ZINC000582664145 468574641 /nfs/dbraw/zinc/57/46/41/468574641.db2.gz BLMAXKZDEYQQSV-QGZVFWFLSA-N 1 3 330.476 2.129 10 0 EEAEHO CCSc1cccnc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503698 469701327 /nfs/dbraw/zinc/70/13/27/469701327.db2.gz VEKVYKZWHOVZDD-AWEZNQCLSA-N 1 3 338.521 2.195 10 0 EEAEHO CCSc1cccnc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503698 469701330 /nfs/dbraw/zinc/70/13/30/469701330.db2.gz VEKVYKZWHOVZDD-AWEZNQCLSA-N 1 3 338.521 2.195 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1ccccc1F ZINC000617504878 469703810 /nfs/dbraw/zinc/70/38/10/469703810.db2.gz NUXJMKYKGDEQMT-HNNXBMFYSA-N 1 3 337.483 2.492 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1ccccc1F ZINC000617504878 469703814 /nfs/dbraw/zinc/70/38/14/469703814.db2.gz NUXJMKYKGDEQMT-HNNXBMFYSA-N 1 3 337.483 2.492 10 0 EEAEHO CN(C)CCOc1ccc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1 ZINC000623744166 469750821 /nfs/dbraw/zinc/75/08/21/469750821.db2.gz OITRIEUOTHCRCF-UHFFFAOYSA-N 1 3 347.503 2.365 10 0 EEAEHO O=C(NC[C@@H]1CCN1C1CCCC1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000624783944 470021569 /nfs/dbraw/zinc/02/15/69/470021569.db2.gz CDPUCMPGTHHHPQ-HKUYNNGSSA-N 1 3 348.535 2.425 10 0 EEAEHO O=C(NC[C@@H]1CCN1C1CCCC1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000624783944 470021572 /nfs/dbraw/zinc/02/15/72/470021572.db2.gz CDPUCMPGTHHHPQ-HKUYNNGSSA-N 1 3 348.535 2.425 10 0 EEAEHO CC(C)C[C@H](N[C@H]1CCCc2ncccc21)C(=O)NCC[NH+](C)C ZINC000631611153 470174540 /nfs/dbraw/zinc/17/45/40/470174540.db2.gz IDUDGDFQAXOVIZ-ROUUACIJSA-N 1 3 332.492 2.141 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)COC2CCC([NH3+])CC2)CN1Cc1ccccc1 ZINC000646220937 470569404 /nfs/dbraw/zinc/56/94/04/470569404.db2.gz QUGKXMTZQLCSDK-ZTRSQXPZSA-N 1 3 345.487 2.052 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000635438406 470586562 /nfs/dbraw/zinc/58/65/62/470586562.db2.gz CUYGYJGUXJUNCR-MOPGFXCFSA-N 1 3 329.488 2.499 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000635438406 470586568 /nfs/dbraw/zinc/58/65/68/470586568.db2.gz CUYGYJGUXJUNCR-MOPGFXCFSA-N 1 3 329.488 2.499 10 0 EEAEHO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1 ZINC000646911757 470772615 /nfs/dbraw/zinc/77/26/15/470772615.db2.gz GIEQAEYRUHHEPZ-HKUYNNGSSA-N 1 3 345.487 2.183 10 0 EEAEHO CC(C)C[N@H+](C)CCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000650178926 470815671 /nfs/dbraw/zinc/81/56/71/470815671.db2.gz LZYGECOKEQWOET-UHFFFAOYSA-N 1 3 339.524 2.116 10 0 EEAEHO CC(C)C[N@@H+](C)CCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000650178926 470815675 /nfs/dbraw/zinc/81/56/75/470815675.db2.gz LZYGECOKEQWOET-UHFFFAOYSA-N 1 3 339.524 2.116 10 0 EEAEHO CN1C[C@@H](C[NH2+]Cc2cc(C(N)=O)cs2)[C@H](c2ccccc2)C1 ZINC000647248792 470867030 /nfs/dbraw/zinc/86/70/30/470867030.db2.gz FDYJKVUHGUIGCJ-WBVHZDCISA-N 1 3 329.469 2.282 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)NCCC2(C[NH3+])CC2)CN1Cc1ccccc1 ZINC000652167455 471249326 /nfs/dbraw/zinc/24/93/26/471249326.db2.gz UVXJXEQANGBEHL-WBVHZDCISA-N 1 3 330.476 2.078 10 0 EEAEHO C[C@@H]1C[C@H](NC2(CN3CCN(c4ccccc4)CC3)CC2)CC[N@@H+]1C ZINC000658249410 471279876 /nfs/dbraw/zinc/27/98/76/471279876.db2.gz DZIMTIOXFDZNSD-RTBURBONSA-N 1 3 342.531 2.414 10 0 EEAEHO C[C@@H]1C[C@H](NC2(CN3CCN(c4ccccc4)CC3)CC2)CC[N@H+]1C ZINC000658249410 471279879 /nfs/dbraw/zinc/27/98/79/471279879.db2.gz DZIMTIOXFDZNSD-RTBURBONSA-N 1 3 342.531 2.414 10 0 EEAEHO CCN(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCN(CC)C1 ZINC000663633268 471455824 /nfs/dbraw/zinc/45/58/24/471455824.db2.gz DFBPXWHBONASRG-FGTMMUONSA-N 1 3 338.540 2.480 10 0 EEAEHO CCN(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCN(CC)C1 ZINC000663633268 471455828 /nfs/dbraw/zinc/45/58/28/471455828.db2.gz DFBPXWHBONASRG-FGTMMUONSA-N 1 3 338.540 2.480 10 0 EEAEHO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659031811 471475274 /nfs/dbraw/zinc/47/52/74/471475274.db2.gz OELRFQCLSQRXAJ-YOEHRIQHSA-N 1 3 334.464 2.199 10 0 EEAEHO CC1CCN([C@H](CNC(=O)NC/C=C/C[NH3+])c2ccccc2)CC1 ZINC000669402660 471479825 /nfs/dbraw/zinc/47/98/25/471479825.db2.gz YNJFASMZTIQXAW-DUMMIQTOSA-N 1 3 330.476 2.274 10 0 EEAEHO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659040331 471482468 /nfs/dbraw/zinc/48/24/68/471482468.db2.gz FLCJGRACRISXSB-KRWDZBQOSA-N 1 3 346.475 2.343 10 0 EEAEHO [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000659427727 471621440 /nfs/dbraw/zinc/62/14/40/471621440.db2.gz SDTIMWJESCMKBL-UUCFBXCCSA-N 1 3 334.489 2.018 10 0 EEAEHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000659457080 471636191 /nfs/dbraw/zinc/63/61/91/471636191.db2.gz XXDDNDCGKOVMIT-ZTFGCOKTSA-N 1 3 348.466 2.293 10 0 EEAEHO CN(C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000661396804 471740542 /nfs/dbraw/zinc/74/05/42/471740542.db2.gz MHIYRRJLPDOXFP-IAGOWNOFSA-N 1 3 332.492 2.461 10 0 EEAEHO CN(C)[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000661396804 471740546 /nfs/dbraw/zinc/74/05/46/471740546.db2.gz MHIYRRJLPDOXFP-IAGOWNOFSA-N 1 3 332.492 2.461 10 0 EEAEHO Cc1ccsc1CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664582246 471802095 /nfs/dbraw/zinc/80/20/95/471802095.db2.gz MBDCYQSLFRYQTF-HNNXBMFYSA-N 1 3 340.537 2.170 10 0 EEAEHO Cc1ccsc1CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664582246 471802100 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2.080 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1c2ccccc2O[C@H]1C ZINC000664916603 471896762 /nfs/dbraw/zinc/89/67/62/471896762.db2.gz QHQJWVWLPSZPRO-MPGHIAIKSA-N 1 3 348.491 2.080 10 0 EEAEHO C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)c1 ZINC000660324042 471944364 /nfs/dbraw/zinc/94/43/64/471944364.db2.gz HEUPSXXIUYBQRT-KRWDZBQOSA-N 1 3 332.492 2.420 10 0 EEAEHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1F ZINC000665259657 471982974 /nfs/dbraw/zinc/98/29/74/471982974.db2.gz MIJDLPRMALDCRD-PZFZOXMESA-N 1 3 347.478 2.495 10 0 EEAEHO COC1CC[NH+](C2(CNC(=O)C3(NC4CC4)CCC3)CCCC2)CC1 ZINC000662725876 472223903 /nfs/dbraw/zinc/22/39/03/472223903.db2.gz ILORMYKJXQSMRG-UHFFFAOYSA-N 1 3 349.519 2.201 10 0 EEAEHO CO[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000684378063 485864193 /nfs/dbraw/zinc/86/41/93/485864193.db2.gz WWUINXWJTJUJRP-MSOLQXFVSA-N 1 3 333.476 2.025 10 0 EEAEHO CN1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCCN(C)C2)CC1 ZINC000678359580 486623835 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338.521 2.262 10 0 EEAEHO CC[NH+]1CCC(NC[C@@H]2CN(Cc3ccc(C)cc3)CCO2)CC1 ZINC000866558525 1201548215 /nfs/dbraw/zinc/54/82/15/1201548215.db2.gz NVXPAXSFOKESJZ-HXUWFJFHSA-N 1 3 331.504 2.270 10 0 EEAEHO CC(C)c1cccc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866712034 1201586669 /nfs/dbraw/zinc/58/66/69/1201586669.db2.gz QAUZPNPBARZOQD-KSZLIROESA-N 1 3 329.444 2.177 10 0 EEAEHO CC[C@H](c1ccc(F)cc1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714027 1201587463 /nfs/dbraw/zinc/58/74/63/1201587463.db2.gz DIDQDFURFKYRCJ-VQHPVUNQSA-N 1 3 333.407 2.144 10 0 EEAEHO C[C@@H](NCCCN(C)C(=O)CC[NH+](C)C)c1c(F)cccc1F ZINC001276209626 1205834400 /nfs/dbraw/zinc/83/44/00/1205834400.db2.gz XZWLVDJXNFLFRG-CYBMUJFWSA-N 1 3 327.419 2.416 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001276214634 1205840653 /nfs/dbraw/zinc/84/06/53/1205840653.db2.gz LASNIYLYLGUQMQ-MRXNPFEDSA-N 1 3 340.899 2.259 10 0 EEAEHO Cc1nocc1CNCCCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001276259396 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ZINC001282487758 1325731507 /nfs/dbraw/zinc/73/15/07/1325731507.db2.gz YCPQMJVUCIPRGG-JQWIXIFHSA-N 1 3 347.290 2.281 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001282487758 1325731510 /nfs/dbraw/zinc/73/15/10/1325731510.db2.gz YCPQMJVUCIPRGG-JQWIXIFHSA-N 1 3 347.290 2.281 10 0 EEAEHO Cc1ncoc1C[NH2+]CCC[C@H](C)NC(=O)CN1CCC(C)CC1 ZINC001283259182 1325975919 /nfs/dbraw/zinc/97/59/19/1325975919.db2.gz FNWWHTXOMCQDCR-HNNXBMFYSA-N 1 3 336.480 2.089 10 0 EEAEHO CCc1ccc(CC[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC001491791528 1330257085 /nfs/dbraw/zinc/25/70/85/1330257085.db2.gz OCENOAXVPSZQOW-WOJBJXKFSA-N 1 3 343.515 2.324 10 0 EEAEHO Cc1noc(C)c1C[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001491897295 1330294694 /nfs/dbraw/zinc/29/46/94/1330294694.db2.gz VEZIIZQSDACAFJ-HOTGVXAUSA-N 1 3 336.480 2.149 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)C[C@@H](OC)C2CCC2)C1 ZINC001491958191 1330351667 /nfs/dbraw/zinc/35/16/67/1330351667.db2.gz 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Cc1nc(C(C)C)ccc1CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317661152 1332356169 /nfs/dbraw/zinc/35/61/69/1332356169.db2.gz IZVGBQZCYSHQPA-KRWDZBQOSA-N 1 3 332.492 2.013 10 0 EEAEHO CN(CC[NH2+]C/C=C/c1ccc(Cl)cc1)C(=O)CN1CCCC1 ZINC001317661890 1332356216 /nfs/dbraw/zinc/35/62/16/1332356216.db2.gz QFHAVEKTXREHSK-SNAWJCMRSA-N 1 3 335.879 2.497 10 0 EEAEHO CC(C)OCC[NH2+]CC1(NC(=O)CN2[C@H](C)CC[C@H]2C)CCCC1 ZINC001318669671 1332574975 /nfs/dbraw/zinc/57/49/75/1332574975.db2.gz FHVGOMACSDDYEM-IAGOWNOFSA-N 1 3 339.524 2.303 10 0 EEAEHO C[C@@H](CCNCc1ccc(F)cn1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001320463042 1332889346 /nfs/dbraw/zinc/88/93/46/1332889346.db2.gz DFYAFSPTXXOBQU-HNNXBMFYSA-N 1 3 348.466 2.081 10 0 EEAEHO Cc1ccc(C[NH2+]C/C=C\CNC(=O)CN(C)CC(C)(C)C)c(C)n1 ZINC001321248641 1333054753 /nfs/dbraw/zinc/05/47/53/1333054753.db2.gz CQSFVKRMVLNRDO-FPLPWBNLSA-N 1 3 346.519 2.438 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1ccnc(Cl)c1 ZINC001321868177 1333170496 /nfs/dbraw/zinc/17/04/96/1333170496.db2.gz UXEFIOVPWWHDKQ-DZGCQCFKSA-N 1 3 338.883 2.204 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1ccnc(Cl)c1 ZINC001321868177 1333170498 /nfs/dbraw/zinc/17/04/98/1333170498.db2.gz UXEFIOVPWWHDKQ-DZGCQCFKSA-N 1 3 338.883 2.204 10 0 EEAEHO Cc1nc(C(C)C)oc1C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001322443191 1333264298 /nfs/dbraw/zinc/26/42/98/1333264298.db2.gz UNVPPAMMLXSCTL-OAHLLOKOSA-N 1 3 336.480 2.139 10 0 EEAEHO CC(C)c1cccc(C[NH2+]CCCN(C)C(=O)CN2CCCC2)n1 ZINC001322834725 1333337413 /nfs/dbraw/zinc/33/74/13/1333337413.db2.gz GKUSEBWVOPDNAJ-UHFFFAOYSA-N 1 3 332.492 2.239 10 0 EEAEHO COCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001324947649 1333794374 /nfs/dbraw/zinc/79/43/74/1333794374.db2.gz KZILUWOKVPXBPU-IBGZPJMESA-N 1 3 339.524 2.116 10 0 EEAEHO COCCC[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001324947649 1333794378 /nfs/dbraw/zinc/79/43/78/1333794378.db2.gz KZILUWOKVPXBPU-IBGZPJMESA-N 1 3 339.524 2.116 10 0 EEAEHO Cc1ncoc1CNCC[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001326437798 1334094023 /nfs/dbraw/zinc/09/40/23/1334094023.db2.gz OWLMZTXAYPJZJE-QGZVFWFLSA-N 1 3 348.491 2.187 10 0 EEAEHO CC[C@@H](C(=O)N1CCC(O)(C[NH2+]CCCC(C)(C)C)CC1)N(C)C ZINC001328207141 1334415150 /nfs/dbraw/zinc/41/51/50/1334415150.db2.gz JALUPTDFFZTKQM-INIZCTEOSA-N 1 3 341.540 2.096 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)[C@H](C[NH2+]CCC(F)(F)F)C2CC2)C1 ZINC001331326929 1334997219 /nfs/dbraw/zinc/99/72/19/1334997219.db2.gz VSHXIIYSFOLJGC-GXTWGEPZSA-N 1 3 335.414 2.107 10 0 EEAEHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001665880309 1355403636 /nfs/dbraw/zinc/40/36/36/1355403636.db2.gz VUERKYOYPGVEOL-RYUDHWBXSA-N 1 3 347.290 2.329 10 0 EEAEHO CN(CCCNCc1ccc(F)cn1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001670138898 1356283820 /nfs/dbraw/zinc/28/38/20/1356283820.db2.gz QASWWGSTZMOBRN-UHFFFAOYSA-N 1 3 348.466 2.035 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCCc2ccccc2)[C@@H](C)C1 ZINC001673923682 1356760725 /nfs/dbraw/zinc/76/07/25/1356760725.db2.gz NKWMWKTVOWYCST-HKUYNNGSSA-N 1 3 331.504 2.398 10 0 EEAEHO Cc1oncc1CNCC[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001569984018 1342988164 /nfs/dbraw/zinc/98/81/64/1342988164.db2.gz NRLNFZJSHPNISV-SJLPKXTDSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1oncc1CNCC[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001569984018 1342988167 /nfs/dbraw/zinc/98/81/67/1342988167.db2.gz NRLNFZJSHPNISV-SJLPKXTDSA-N 1 3 348.491 2.186 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCOc2cccc(C)c2)C[C@@H]1C ZINC001571491212 1343219336 /nfs/dbraw/zinc/21/93/36/1343219336.db2.gz OEBFBPUQOTXKMO-ROUUACIJSA-N 1 3 347.503 2.295 10 0 EEAEHO CC(C)(C(=O)N1C[C@@H]([NH2+]CCCF)C(C)(C)C1)N1CCCCC1 ZINC001676998809 1357258817 /nfs/dbraw/zinc/25/88/17/1357258817.db2.gz NZVSGBKTUBTARR-OAHLLOKOSA-N 1 3 327.488 2.437 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(Cl)n2)C1 ZINC001662716768 1354830407 /nfs/dbraw/zinc/83/04/07/1354830407.db2.gz BZBDTTLWHAVDCS-AWEZNQCLSA-N 1 3 338.883 2.015 10 0 EEAEHO CCCN(C)CC(=O)N1CCC2(C[NH+](CCCOC(C)C)C2)CC1 ZINC001666834740 1355599147 /nfs/dbraw/zinc/59/91/47/1355599147.db2.gz MOYXILHFCOQQKT-UHFFFAOYSA-N 1 3 339.524 2.068 10 0 EEAEHO C[C@@H](C[NH2+]CCCc1ccccc1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001666991957 1355628879 /nfs/dbraw/zinc/62/88/79/1355628879.db2.gz JBCXKDMRDQHPDH-ROUUACIJSA-N 1 3 331.504 2.398 10 0 EEAEHO Cc1cc(C)cc(OCC[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)c1 ZINC001667054963 1355640487 /nfs/dbraw/zinc/64/04/87/1355640487.db2.gz VWNCFZGENPGFJL-GOSISDBHSA-N 1 3 347.503 2.215 10 0 EEAEHO Cc1oncc1CNCC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001667301633 1355703145 /nfs/dbraw/zinc/70/31/45/1355703145.db2.gz HKBBMCJPKJAVBZ-AEFFLSMTSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1oncc1CNCC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001667301633 1355703150 /nfs/dbraw/zinc/70/31/50/1355703150.db2.gz HKBBMCJPKJAVBZ-AEFFLSMTSA-N 1 3 348.491 2.186 10 0 EEAEHO C[C@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001668086877 1355866541 /nfs/dbraw/zinc/86/65/41/1355866541.db2.gz KZJKVUCMMUCVGZ-CYBMUJFWSA-N 1 3 339.430 2.434 10 0 EEAEHO Cc1nocc1CNCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001668324715 1355923268 /nfs/dbraw/zinc/92/32/68/1355923268.db2.gz CSYBCPVWSWZEQW-WMLDXEAASA-N 1 3 336.480 2.088 10 0 EEAEHO O=C(NC/C=C/CNCc1ccc(F)c(F)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC001668828225 1356014705 /nfs/dbraw/zinc/01/47/05/1356014705.db2.gz OGTGIQCIHJFAOS-XGBNDESESA-N 1 3 349.425 2.069 10 0 EEAEHO Cc1cc(CNC/C=C\CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001669139362 1356104254 /nfs/dbraw/zinc/10/42/54/1356104254.db2.gz NTMRKMSGGJLSOA-AWFCHZOYSA-N 1 3 335.517 2.469 10 0 EEAEHO Cc1cc(CNC/C=C\CNC(=O)C[C@@H]2CC[N@H+](C)C2)c(C)s1 ZINC001669139362 1356104256 /nfs/dbraw/zinc/10/42/56/1356104256.db2.gz NTMRKMSGGJLSOA-AWFCHZOYSA-N 1 3 335.517 2.469 10 0 EEAEHO Cc1nsc(C)c1C[NH2+]CCCN(C)C(=O)CN(C)C(C)C ZINC001699554862 1405393309 /nfs/dbraw/zinc/39/33/09/1405393309.db2.gz ZRLCBOPLQODIEH-UHFFFAOYSA-N 1 3 326.510 2.038 10 0 EEAEHO CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001699843813 1405523251 /nfs/dbraw/zinc/52/32/51/1405523251.db2.gz FOFMRQGQCRCLNQ-QZTJIDSGSA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)N(Cc1ccco1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000820074147 785798353 /nfs/dbraw/zinc/79/83/53/785798353.db2.gz GSWIZCCGTXLUPM-INIZCTEOSA-N 1 3 338.496 2.472 10 0 EEAEHO CC(C)N(Cc1ccco1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000820074147 785798361 /nfs/dbraw/zinc/79/83/61/785798361.db2.gz GSWIZCCGTXLUPM-INIZCTEOSA-N 1 3 338.496 2.472 10 0 EEAEHO C[C@@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C[NH3+] ZINC000923412146 789519657 /nfs/dbraw/zinc/51/96/57/789519657.db2.gz UVPSMSWQPJVFTQ-NQBHXWOUSA-N 1 3 333.259 2.260 10 0 EEAEHO Cc1ncccc1CN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001566587341 1125774942 /nfs/dbraw/zinc/77/49/42/1125774942.db2.gz BROSSAPWYKLQET-VQIMIIECSA-N 1 3 344.503 2.201 10 0 EEAEHO Cc1ncccc1CN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001566587341 1125774949 /nfs/dbraw/zinc/77/49/49/1125774949.db2.gz BROSSAPWYKLQET-VQIMIIECSA-N 1 3 344.503 2.201 10 0 EEAEHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1)N(C)C ZINC001436895586 1088547367 /nfs/dbraw/zinc/54/73/67/1088547367.db2.gz AZYFENOTGGLKQM-KBUPBQIOSA-N 1 3 331.451 2.389 10 0 EEAEHO CCCN(C)CC(=O)NC1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC001437094344 1089052612 /nfs/dbraw/zinc/05/26/12/1089052612.db2.gz XUAVWYZWQKBYDW-UHFFFAOYSA-N 1 3 336.455 2.080 10 0 EEAEHO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NCc1cncc(F)c1 ZINC001437142205 1089135649 /nfs/dbraw/zinc/13/56/49/1089135649.db2.gz DFPCHWCYJMEPPT-KDOFPFPSSA-N 1 3 348.466 2.222 10 0 EEAEHO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)NCc1cncc(F)c1 ZINC001437142205 1089135654 /nfs/dbraw/zinc/13/56/54/1089135654.db2.gz DFPCHWCYJMEPPT-KDOFPFPSSA-N 1 3 348.466 2.222 10 0 EEAEHO Cc1cc(C)cc(OCCN(C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001437542858 1089997812 /nfs/dbraw/zinc/99/78/12/1089997812.db2.gz WARZKQMRMCMMAP-SFHVURJKSA-N 1 3 347.503 2.072 10 0 EEAEHO Cc1cc(C)cc(OCCN(C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001437542858 1089997823 /nfs/dbraw/zinc/99/78/23/1089997823.db2.gz WARZKQMRMCMMAP-SFHVURJKSA-N 1 3 347.503 2.072 10 0 EEAEHO C[C@H](C[NH2+]Cc1cc2ccccc2o1)N(C)C(=O)[C@@H]1CCCN1C ZINC001438637871 1091119516 /nfs/dbraw/zinc/11/95/16/1091119516.db2.gz PLWQAVVMHUINTQ-PBHICJAKSA-N 1 3 329.444 2.464 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccnc1C ZINC001438716218 1091237242 /nfs/dbraw/zinc/23/72/42/1091237242.db2.gz SYSOUEZSMYLWPM-MAUKXSAKSA-N 1 3 332.492 2.201 10 0 EEAEHO C[C@@H](F)CC[N@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001438771808 1091356821 /nfs/dbraw/zinc/35/68/21/1091356821.db2.gz CGUNDHLQZYGANR-MRXNPFEDSA-N 1 3 327.488 2.391 10 0 EEAEHO C[C@@H](F)CC[N@@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001438771808 1091356829 /nfs/dbraw/zinc/35/68/29/1091356829.db2.gz CGUNDHLQZYGANR-MRXNPFEDSA-N 1 3 327.488 2.391 10 0 EEAEHO Cc1oncc1C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001438775004 1091363538 /nfs/dbraw/zinc/36/35/38/1091363538.db2.gz UNBQXYMENSFILH-HOCLYGCPSA-N 1 3 336.480 2.040 10 0 EEAEHO Cc1nc(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)c(C)s1 ZINC001438775656 1091366048 /nfs/dbraw/zinc/36/60/48/1091366048.db2.gz QAXZLNZBMZFIPK-IUODEOHRSA-N 1 3 338.521 2.038 10 0 EEAEHO Cc1ncccc1CNC1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001446254384 1092383515 /nfs/dbraw/zinc/38/35/15/1092383515.db2.gz YLRPAKFBMVGGMK-ZWKOTPCHSA-N 1 3 342.487 2.145 10 0 EEAEHO Cc1ncccc1CNC1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001446254384 1092383525 /nfs/dbraw/zinc/38/35/25/1092383525.db2.gz YLRPAKFBMVGGMK-ZWKOTPCHSA-N 1 3 342.487 2.145 10 0 EEAEHO Cc1cncc(CN2CCC[C@@]3(CCN(C(=O)CC[NH+](C)C)C3)C2)c1 ZINC001446330605 1092532556 /nfs/dbraw/zinc/53/25/56/1092532556.db2.gz KHWDGLMTLPPVOY-HXUWFJFHSA-N 1 3 344.503 2.156 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(CNC/C(Cl)=C/Cl)C2)C1 ZINC001439908718 1092977209 /nfs/dbraw/zinc/97/72/09/1092977209.db2.gz ZTKVQSWBJGRRMF-BXVLCZGVSA-N 1 3 348.318 2.475 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(CNC/C(Cl)=C/Cl)C2)C1 ZINC001439908718 1092977215 /nfs/dbraw/zinc/97/72/15/1092977215.db2.gz ZTKVQSWBJGRRMF-BXVLCZGVSA-N 1 3 348.318 2.475 10 0 EEAEHO C[C@@H](c1ccccc1)N1CCC[C@@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001440193161 1093260206 /nfs/dbraw/zinc/26/02/06/1093260206.db2.gz ZDGFEPWSBWUFGS-FXAWDEMLSA-N 1 3 347.503 2.033 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001440466375 1093689683 /nfs/dbraw/zinc/68/96/83/1093689683.db2.gz RVJAIABCYHRSCI-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1ccc(CN(C)CCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)c(C)n1 ZINC001440467359 1093691427 /nfs/dbraw/zinc/69/14/27/1093691427.db2.gz JLLKSTNPQBIZOQ-GOSISDBHSA-N 1 3 346.519 2.321 10 0 EEAEHO Cc1ccc(CN(C)CCCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)c(C)n1 ZINC001440467359 1093691431 /nfs/dbraw/zinc/69/14/31/1093691431.db2.gz JLLKSTNPQBIZOQ-GOSISDBHSA-N 1 3 346.519 2.321 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCc2cccs2)[C@@H]1C)N(C)C ZINC001440491077 1093728432 /nfs/dbraw/zinc/72/84/32/1093728432.db2.gz UOOFLYMGKTXFQE-HYVNUMGLSA-N 1 3 337.533 2.456 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCc2cccs2)[C@@H]1C)N(C)C ZINC001440491077 1093728434 /nfs/dbraw/zinc/72/84/34/1093728434.db2.gz UOOFLYMGKTXFQE-HYVNUMGLSA-N 1 3 337.533 2.456 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1scnc1C ZINC001448787308 1093866698 /nfs/dbraw/zinc/86/66/98/1093866698.db2.gz ZSAWJNLFRCXCAZ-DZGCQCFKSA-N 1 3 338.521 2.262 10 0 EEAEHO C[C@@H](NC(=O)CCC[NH+](C)C)C1CCN(Cc2ccccn2)CC1 ZINC001449359073 1094323351 /nfs/dbraw/zinc/32/33/51/1094323351.db2.gz ZUBFUHWHDVGRJV-MRXNPFEDSA-N 1 3 332.492 2.140 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CCC2CC2)C1 ZINC001449369656 1094336940 /nfs/dbraw/zinc/33/69/40/1094336940.db2.gz OPRAOWULNWCKPD-LSDHHAIUSA-N 1 3 349.441 2.497 10 0 EEAEHO COc1ccc(CC[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)cc1 ZINC001441826033 1095870456 /nfs/dbraw/zinc/87/04/56/1095870456.db2.gz UHYUBGMFDJTWQX-VQIMIIECSA-N 1 3 347.503 2.157 10 0 EEAEHO Cc1nn(C(C)C)cc1CN[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001441862777 1095967470 /nfs/dbraw/zinc/96/74/70/1095967470.db2.gz WLVJQPGRZNSCJT-CRAIPNDOSA-N 1 3 349.523 2.240 10 0 EEAEHO Cc1nn(C(C)C)cc1CN[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001441862777 1095967476 /nfs/dbraw/zinc/96/74/76/1095967476.db2.gz WLVJQPGRZNSCJT-CRAIPNDOSA-N 1 3 349.523 2.240 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cc(F)ccc2F)C1 ZINC001442159325 1096416030 /nfs/dbraw/zinc/41/60/30/1096416030.db2.gz YIURLWWTYYUNSX-AWEZNQCLSA-N 1 3 339.430 2.243 10 0 EEAEHO CN1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1nccs1)C(C)(C)C ZINC001442175859 1096442531 /nfs/dbraw/zinc/44/25/31/1096442531.db2.gz VBAVESGTHQCQBM-KBPBESRZSA-N 1 3 338.521 2.248 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cncs1 ZINC001479833489 1099116221 /nfs/dbraw/zinc/11/62/21/1099116221.db2.gz JTCCMBDPULUXLK-GOEBONIOSA-N 1 3 338.521 2.344 10 0 EEAEHO CC(C)COCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001480226287 1099846994 /nfs/dbraw/zinc/84/69/94/1099846994.db2.gz LZRNJSGTOVZBGL-FGTMMUONSA-N 1 3 339.524 2.159 10 0 EEAEHO CCc1nc(C)c(CN[C@H]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001480237584 1099867618 /nfs/dbraw/zinc/86/76/18/1099867618.db2.gz DZTAGKWCZGLOGS-IYBDPMFKSA-N 1 3 348.491 2.158 10 0 EEAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC001480237541 1099867652 /nfs/dbraw/zinc/86/76/52/1099867652.db2.gz CIGPUGZPGMMAEK-TVFCKZIOSA-N 1 3 345.487 2.175 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCc1ccccc1F ZINC001480471304 1100277939 /nfs/dbraw/zinc/27/79/39/1100277939.db2.gz DGRBEBJFMGVXJE-YJBOKZPZSA-N 1 3 335.467 2.337 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](NCc1cnoc1C)C(C)C ZINC001496566288 1101167417 /nfs/dbraw/zinc/16/74/17/1101167417.db2.gz JUYYSOIYSOHQNO-SJORKVTESA-N 1 3 336.480 2.088 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](NCc1cnoc1C)C(C)C ZINC001496566288 1101167420 /nfs/dbraw/zinc/16/74/20/1101167420.db2.gz JUYYSOIYSOHQNO-SJORKVTESA-N 1 3 336.480 2.088 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC[C@H](C)O)CC1 ZINC001495455714 1101167518 /nfs/dbraw/zinc/16/75/18/1101167518.db2.gz RVMZEWMWGNHMOX-XSLAGTTESA-N 1 3 339.524 2.037 10 0 EEAEHO CC(C)[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCc1cncs1 ZINC001496614040 1101218841 /nfs/dbraw/zinc/21/88/41/1101218841.db2.gz DKBHFBQIGSBICN-INIZCTEOSA-N 1 3 338.521 2.105 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NCCC2CCN(C/C=C/Cl)CC2)C1 ZINC001495535972 1101251597 /nfs/dbraw/zinc/25/15/97/1101251597.db2.gz NVAARONIIANWJO-BGGTUALNSA-N 1 3 327.900 2.299 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NCCC2CCN(C/C=C/Cl)CC2)C1 ZINC001495535972 1101251601 /nfs/dbraw/zinc/25/16/01/1101251601.db2.gz NVAARONIIANWJO-BGGTUALNSA-N 1 3 327.900 2.299 10 0 EEAEHO C[C@H](F)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001446722929 1101293306 /nfs/dbraw/zinc/29/33/06/1101293306.db2.gz BRSVODCMHZEVOJ-KBPBESRZSA-N 1 3 349.441 2.292 10 0 EEAEHO C[C@H](F)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001446722929 1101293312 /nfs/dbraw/zinc/29/33/12/1101293312.db2.gz BRSVODCMHZEVOJ-KBPBESRZSA-N 1 3 349.441 2.292 10 0 EEAEHO Cc1cncc(CN2CC[C@@H]3[C@@H]2CCCN3C(=O)CCC[NH+](C)C)c1 ZINC001447163118 1102116382 /nfs/dbraw/zinc/11/63/82/1102116382.db2.gz OCCKPKJOKPBDDD-RBUKOAKNSA-N 1 3 344.503 2.297 10 0 EEAEHO C[C@@H](CNCc1ccnc(Cl)c1)N(C)C(=O)CCC[NH+](C)C ZINC001496145010 1102133122 /nfs/dbraw/zinc/13/31/22/1102133122.db2.gz ODAQBMYLQCALIU-ZDUSSCGKSA-N 1 3 326.872 2.013 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CCN(C/C=C/Cl)C1 ZINC001494017610 1103350251 /nfs/dbraw/zinc/35/02/51/1103350251.db2.gz HULJDZOAULGDLU-NBZFBGEYSA-N 1 3 327.900 2.442 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CCN(C/C=C/Cl)C1 ZINC001494017610 1103350262 /nfs/dbraw/zinc/35/02/62/1103350262.db2.gz HULJDZOAULGDLU-NBZFBGEYSA-N 1 3 327.900 2.442 10 0 EEAEHO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)NCc1ccccn1 ZINC001447845578 1103433616 /nfs/dbraw/zinc/43/36/16/1103433616.db2.gz KFWIQXGHSUVOBL-JKSUJKDBSA-N 1 3 332.492 2.329 10 0 EEAEHO Cc1ncsc1CN[C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001447885073 1103515696 /nfs/dbraw/zinc/51/56/96/1103515696.db2.gz YCLSCNSURYHGKZ-STQMWFEESA-N 1 3 336.505 2.063 10 0 EEAEHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](C)[NH2+]CCc1ccns1 ZINC001447916408 1103589786 /nfs/dbraw/zinc/58/97/86/1103589786.db2.gz WFHXOZZUYXABSU-ZIAGYGMSSA-N 1 3 340.537 2.146 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001447930497 1103626726 /nfs/dbraw/zinc/62/67/26/1103626726.db2.gz JGVNWCLYAVMEBZ-HOTGVXAUSA-N 1 3 331.504 2.498 10 0 EEAEHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@H](C)[NH2+]CC1CCOCC1 ZINC001447935449 1103639084 /nfs/dbraw/zinc/63/90/84/1103639084.db2.gz RISAYWPFEZWULJ-JKSUJKDBSA-N 1 3 347.503 2.271 10 0 EEAEHO CCN(C(=O)CC[NH+](C)C)[C@H]1CCN(Cc2cccc(COC)c2)C1 ZINC001494909061 1104542505 /nfs/dbraw/zinc/54/25/05/1104542505.db2.gz CJDSFERKNMRWBN-IBGZPJMESA-N 1 3 347.503 2.208 10 0 EEAEHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001494995699 1104637777 /nfs/dbraw/zinc/63/77/77/1104637777.db2.gz XJWAODPCGZXTAV-ZIAGYGMSSA-N 1 3 331.451 2.391 10 0 EEAEHO CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)NCc1cnc(C)s1 ZINC001495015713 1104657951 /nfs/dbraw/zinc/65/79/51/1104657951.db2.gz WPCRITTXFFQOTD-CQSZACIVSA-N 1 3 336.505 2.064 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC001480597686 1106737445 /nfs/dbraw/zinc/73/74/45/1106737445.db2.gz SACVYOWXROUWLY-SJLPKXTDSA-N 1 3 347.503 2.472 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001480675902 1106863722 /nfs/dbraw/zinc/86/37/22/1106863722.db2.gz KACHLENXEFJRGU-OAHLLOKOSA-N 1 3 338.883 2.015 10 0 EEAEHO CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1NCc1nocc1C ZINC001498904719 1108302927 /nfs/dbraw/zinc/30/29/27/1108302927.db2.gz WNLAYXFLICYGER-HZPDHXFCSA-N 1 3 336.480 2.042 10 0 EEAEHO CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1NCc1nocc1C ZINC001498904719 1108302941 /nfs/dbraw/zinc/30/29/41/1108302941.db2.gz WNLAYXFLICYGER-HZPDHXFCSA-N 1 3 336.480 2.042 10 0 EEAEHO C[C@H]1[C@H](NC(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)CCN1C ZINC001479379258 1110688560 /nfs/dbraw/zinc/68/85/60/1110688560.db2.gz SSUVSGNYBLNBBO-OKZBNKHCSA-N 1 3 336.524 2.375 10 0 EEAEHO C[NH+](C)CCC(=O)NCC1(NCc2cccc(C(F)F)c2)CC1 ZINC001499335423 1112239624 /nfs/dbraw/zinc/23/96/24/1112239624.db2.gz AAPAABPAXSMMPN-UHFFFAOYSA-N 1 3 325.403 2.314 10 0 EEAEHO Cc1noc(C)c1CNC[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001500107470 1112620612 /nfs/dbraw/zinc/62/06/12/1112620612.db2.gz SBIWNUTWTZOGJB-QGZVFWFLSA-N 1 3 336.480 2.008 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001501603304 1113396315 /nfs/dbraw/zinc/39/63/15/1113396315.db2.gz ASOPPZCYNSMGIF-MAUKXSAKSA-N 1 3 333.451 2.248 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCCO)cc1 ZINC001501681829 1113432524 /nfs/dbraw/zinc/43/25/24/1113432524.db2.gz RJKYNWDNVVAMOM-VQIMIIECSA-N 1 3 347.503 2.210 10 0 EEAEHO CC(C)OCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001505606621 1114081679 /nfs/dbraw/zinc/08/16/79/1114081679.db2.gz UXWBJQPOGPLGQM-JKSUJKDBSA-N 1 3 327.513 2.159 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCc2ccccc2F)CC1(C)C ZINC001506749148 1114862920 /nfs/dbraw/zinc/86/29/20/1114862920.db2.gz OTLNAKAJAQPHEF-QGZVFWFLSA-N 1 3 335.467 2.147 10 0 EEAEHO CC/C=C/CC[NH2+][C@H](C)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001506830438 1114899705 /nfs/dbraw/zinc/89/97/05/1114899705.db2.gz AEGUDNJZZUMVPQ-WXFDERKXSA-N 1 3 337.508 2.033 10 0 EEAEHO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)cc1 ZINC001507296028 1115179167 /nfs/dbraw/zinc/17/91/67/1115179167.db2.gz GTPSMAWTUQHFHH-CRAIPNDOSA-N 1 3 333.476 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001507426356 1115262459 /nfs/dbraw/zinc/26/24/59/1115262459.db2.gz FYZGDMAFQZHNOY-OALUTQOASA-N 1 3 331.504 2.444 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CCC2)C1 ZINC001508087624 1115416924 /nfs/dbraw/zinc/41/69/24/1115416924.db2.gz QKZZVPJEXKNZMF-HUUCEWRRSA-N 1 3 349.441 2.496 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCC2=CC[N@H+](CC[C@@H]3CCCCO3)CC2)C1 ZINC001508220722 1115450000 /nfs/dbraw/zinc/45/00/00/1115450000.db2.gz VTUQPOXXBNMXMC-MJGOQNOKSA-N 1 3 349.519 2.036 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCC2=CC[N@@H+](CC[C@@H]3CCCCO3)CC2)C1 ZINC001508220722 1115450002 /nfs/dbraw/zinc/45/00/02/1115450002.db2.gz VTUQPOXXBNMXMC-MJGOQNOKSA-N 1 3 349.519 2.036 10 0 EEAEHO CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C(F)(F)F ZINC001486254583 1193781731 /nfs/dbraw/zinc/78/17/31/1193781731.db2.gz VPKVLXUCOZIGLX-OLZOCXBDSA-N 1 3 337.430 2.211 10 0 EEAEHO CC(C)C[C@H](CNCCF)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001568335929 1124424498 /nfs/dbraw/zinc/42/44/98/1124424498.db2.gz IYQCJCKHBKOAOA-QRVBRYPASA-N 1 3 349.494 2.422 10 0 EEAEHO CC(C)C[C@H](CNCCF)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001568335929 1124424501 /nfs/dbraw/zinc/42/45/01/1124424501.db2.gz IYQCJCKHBKOAOA-QRVBRYPASA-N 1 3 349.494 2.422 10 0 EEAEHO C[C@H](CC[NH2+]Cc1ccc(CF)cc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001568678706 1124690171 /nfs/dbraw/zinc/69/01/71/1124690171.db2.gz XGBSWSKWRIAMAJ-HZPDHXFCSA-N 1 3 335.467 2.482 10 0 EEAEHO C[C@H](NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC001568964609 1125001836 /nfs/dbraw/zinc/00/18/36/1125001836.db2.gz VLFCYGPHMCYTEK-REJHYOMKSA-N 1 3 337.414 2.240 10 0 EEAEHO C[C@H](NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC001568964609 1125001843 /nfs/dbraw/zinc/00/18/43/1125001843.db2.gz VLFCYGPHMCYTEK-REJHYOMKSA-N 1 3 337.414 2.240 10 0 EEAEHO CCN1CCN(CC[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000054015396 214210811 /nfs/dbraw/zinc/21/08/11/214210811.db2.gz XHPSLCWKBOBTIX-HNNXBMFYSA-N 1 3 326.282 2.477 10 0 EEAEHO CN1CCC2(CC1)C[C@H](NC(=O)C1CC[NH2+]CC1)c1ccccc1O2 ZINC000237070739 282725066 /nfs/dbraw/zinc/72/50/66/282725066.db2.gz SFGXTEUXWPSJAL-KRWDZBQOSA-N 1 3 343.471 2.090 10 0 EEAEHO CC[NH+](CC)Cc1ccc(CN[C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422788286 240225754 /nfs/dbraw/zinc/22/57/54/240225754.db2.gz QZIZCZJDNJUKDX-WOJBJXKFSA-N 1 3 331.504 2.385 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000264214128 246193057 /nfs/dbraw/zinc/19/30/57/246193057.db2.gz UNBDNPLVVADPAJ-UHFFFAOYSA-N 1 3 333.476 2.231 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000264214128 246193059 /nfs/dbraw/zinc/19/30/59/246193059.db2.gz UNBDNPLVVADPAJ-UHFFFAOYSA-N 1 3 333.476 2.231 10 0 EEAEHO C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000368428088 153786180 /nfs/dbraw/zinc/78/61/80/153786180.db2.gz CAGYMJHTCUYDON-GFIVTLFCSA-N 1 3 345.487 2.287 10 0 EEAEHO CN1CCC[C@H]2C[N@H+](CCCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000248199888 160340790 /nfs/dbraw/zinc/34/07/90/160340790.db2.gz YHNPSCYVTZROJE-MAUKXSAKSA-N 1 3 341.455 2.089 10 0 EEAEHO CN1CCC[C@H]2C[N@@H+](CCCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000248199888 160340792 /nfs/dbraw/zinc/34/07/92/160340792.db2.gz YHNPSCYVTZROJE-MAUKXSAKSA-N 1 3 341.455 2.089 10 0 EEAEHO C[N@@H+]1CC[C@H](NCCNC(=O)c2c(F)cccc2F)[C@@H]2CCC[C@H]21 ZINC000375804252 167200703 /nfs/dbraw/zinc/20/07/03/167200703.db2.gz HKQRYSUTXRSTSX-VBNZEHGJSA-N 1 3 337.414 2.157 10 0 EEAEHO C[N@H+]1CC[C@H](NCCNC(=O)c2c(F)cccc2F)[C@@H]2CCC[C@H]21 ZINC000375804252 167200706 /nfs/dbraw/zinc/20/07/06/167200706.db2.gz HKQRYSUTXRSTSX-VBNZEHGJSA-N 1 3 337.414 2.157 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000246117721 274095737 /nfs/dbraw/zinc/09/57/37/274095737.db2.gz IERACQKRLQIRRA-CEXWTWQISA-N 1 3 348.535 2.400 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000246117721 274095738 /nfs/dbraw/zinc/09/57/38/274095738.db2.gz IERACQKRLQIRRA-CEXWTWQISA-N 1 3 348.535 2.400 10 0 EEAEHO CCN1CCN(c2cccc(NC(=O)CC3CC[NH+](C)CC3)c2)CC1 ZINC000291737401 275335094 /nfs/dbraw/zinc/33/50/94/275335094.db2.gz SJRAEIJENMXKST-UHFFFAOYSA-N 1 3 344.503 2.499 10 0 EEAEHO CC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000414682143 313063525 /nfs/dbraw/zinc/06/35/25/313063525.db2.gz XVKQIBCVSWUAAN-FUHWJXTLSA-N 1 3 347.503 2.145 10 0 EEAEHO CC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000414682143 313063528 /nfs/dbraw/zinc/06/35/28/313063528.db2.gz XVKQIBCVSWUAAN-FUHWJXTLSA-N 1 3 347.503 2.145 10 0 EEAEHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000416834052 313328886 /nfs/dbraw/zinc/32/88/86/313328886.db2.gz CZXONVSCSWHPCA-QUCCMNQESA-N 1 3 342.487 2.046 10 0 EEAEHO N[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000418443311 313814762 /nfs/dbraw/zinc/81/47/62/313814762.db2.gz FMKSTNHRCKSJNN-QZTJIDSGSA-N 1 3 330.476 2.346 10 0 EEAEHO CCN1CCN(CCC[NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000440346937 315124603 /nfs/dbraw/zinc/12/46/03/315124603.db2.gz YHPHIFNCEZPTQE-UHFFFAOYSA-N 1 3 345.516 2.322 10 0 EEAEHO CC(C)C[C@H]([NH2+]C1CCC(C(F)F)CC1)C(=O)NCCN(C)C ZINC000442836196 315214473 /nfs/dbraw/zinc/21/44/73/315214473.db2.gz HOHAWDPMJLIJKA-NRXISQOPSA-N 1 3 333.467 2.492 10 0 EEAEHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000576940780 320217950 /nfs/dbraw/zinc/21/79/50/320217950.db2.gz CTPXZVVIAIJSIH-QFBILLFUSA-N 1 3 344.503 2.232 10 0 EEAEHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000576940780 320217952 /nfs/dbraw/zinc/21/79/52/320217952.db2.gz CTPXZVVIAIJSIH-QFBILLFUSA-N 1 3 344.503 2.232 10 0 EEAEHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)cc1 ZINC000095956261 463114887 /nfs/dbraw/zinc/11/48/87/463114887.db2.gz ZYBOFEJQMZJPEN-GOSISDBHSA-N 1 3 341.455 2.483 10 0 EEAEHO CN(C)[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000170827073 463714574 /nfs/dbraw/zinc/71/45/74/463714574.db2.gz RVNCUTDLWHYQSY-GOSISDBHSA-N 1 3 330.476 2.128 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccsc1 ZINC000170829516 463715864 /nfs/dbraw/zinc/71/58/64/463715864.db2.gz GKRFJPPQVAFRHQ-JKSUJKDBSA-N 1 3 338.521 2.477 10 0 EEAEHO CN(c1ccccc1C[NH2+]C[C@@H]1CCC[C@H]1O)C1CCN(C)CC1 ZINC000268361106 463717080 /nfs/dbraw/zinc/71/70/80/463717080.db2.gz PQEBEDYBYLQFST-FXAWDEMLSA-N 1 3 331.504 2.468 10 0 EEAEHO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000170863100 463725740 /nfs/dbraw/zinc/72/57/40/463725740.db2.gz WUXCPMNVXACLIK-CABCVRRESA-N 1 3 336.505 2.231 10 0 EEAEHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000192785801 464997468 /nfs/dbraw/zinc/99/74/68/464997468.db2.gz DIMODGOIMNAZBQ-MRXNPFEDSA-N 1 3 333.476 2.482 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000351802020 465369223 /nfs/dbraw/zinc/36/92/23/465369223.db2.gz YTWNYFJSHRZWHI-MOPGFXCFSA-N 1 3 346.519 2.333 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000351802020 465369228 /nfs/dbraw/zinc/36/92/28/465369228.db2.gz YTWNYFJSHRZWHI-MOPGFXCFSA-N 1 3 346.519 2.333 10 0 EEAEHO C[C@H](C[NH2+]CC(=O)NCCN1CCCCCC1)Cc1ccccc1 ZINC000353678023 466061554 /nfs/dbraw/zinc/06/15/54/466061554.db2.gz ZNDJKFJBRAIHKN-SFHVURJKSA-N 1 3 331.504 2.447 10 0 EEAEHO COC(=O)c1coc(CNCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000597179391 468473233 /nfs/dbraw/zinc/47/32/33/468473233.db2.gz YPBNRPKSWZHDLL-UHFFFAOYSA-N 1 3 336.432 2.047 10 0 EEAEHO CCOC(=O)c1csc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000423072228 466691521 /nfs/dbraw/zinc/69/15/21/466691521.db2.gz PLTRYKUEKVVYJH-MGPQQGTHSA-N 1 3 337.489 2.373 10 0 EEAEHO CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423290744 466709826 /nfs/dbraw/zinc/70/98/26/466709826.db2.gz FHOLUCJTMOBYNB-KBPBESRZSA-N 1 3 347.484 2.465 10 0 EEAEHO C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)C1 ZINC000417739573 466922103 /nfs/dbraw/zinc/92/21/03/466922103.db2.gz QEEVXICSYFHBQO-IIAWOOMASA-N 1 3 336.505 2.134 10 0 EEAEHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000418026211 467027010 /nfs/dbraw/zinc/02/70/10/467027010.db2.gz FCGRYXCUXNXTFP-SZMVWBNQSA-N 1 3 332.492 2.274 10 0 EEAEHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418035796 467030998 /nfs/dbraw/zinc/03/09/98/467030998.db2.gz BDUGPKJPYHHYAO-POAQFYNOSA-N 1 3 344.503 2.420 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000418587670 467132192 /nfs/dbraw/zinc/13/21/92/467132192.db2.gz GZRSJVQZFQVLPP-UHOFOFEASA-N 1 3 338.883 2.240 10 0 EEAEHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418697666 467146991 /nfs/dbraw/zinc/14/69/91/467146991.db2.gz MEBCAYRQXDYKSR-IAGOWNOFSA-N 1 3 332.492 2.072 10 0 EEAEHO CN(C(=O)CC[C@@H]1CCC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000380143081 467370996 /nfs/dbraw/zinc/37/09/96/467370996.db2.gz GUQSFMHJJBLULL-HKUYNNGSSA-N 1 3 329.488 2.499 10 0 EEAEHO FC(F)(F)c1cnc(CNC2CCC([NH+]3CCNCC3)CC2)s1 ZINC000415049567 467476786 /nfs/dbraw/zinc/47/67/86/467476786.db2.gz HVGFHYKCMHHZDM-UHFFFAOYSA-N 1 3 348.438 2.468 10 0 EEAEHO FC(F)(F)c1cnc(CNC2CCC(N3CC[NH2+]CC3)CC2)s1 ZINC000415049567 467476789 /nfs/dbraw/zinc/47/67/89/467476789.db2.gz HVGFHYKCMHHZDM-UHFFFAOYSA-N 1 3 348.438 2.468 10 0 EEAEHO C[C@@H]1C[N@H+](Cc2cc3cccnc3o2)CC[C@H]1N1CCN(C)CC1 ZINC000449033694 467614623 /nfs/dbraw/zinc/61/46/23/467614623.db2.gz AFJFHVMFPBMHTL-CRAIPNDOSA-N 1 3 328.460 2.286 10 0 EEAEHO C[C@@H]1C[N@@H+](Cc2cc3cccnc3o2)CC[C@H]1N1CCN(C)CC1 ZINC000449033694 467614624 /nfs/dbraw/zinc/61/46/24/467614624.db2.gz AFJFHVMFPBMHTL-CRAIPNDOSA-N 1 3 328.460 2.286 10 0 EEAEHO CN(CCNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000489076329 468119034 /nfs/dbraw/zinc/11/90/34/468119034.db2.gz MEFIWXCDXLTSGE-FQEVSTJZSA-N 1 3 344.503 2.435 10 0 EEAEHO CN(CCNC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000489076329 468119036 /nfs/dbraw/zinc/11/90/36/468119036.db2.gz MEFIWXCDXLTSGE-FQEVSTJZSA-N 1 3 344.503 2.435 10 0 EEAEHO O[C@@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)CC1CCCC1 ZINC000571198215 468753753 /nfs/dbraw/zinc/75/37/53/468753753.db2.gz HSRCSVLIZJVCJQ-HXUWFJFHSA-N 1 3 346.519 2.125 10 0 EEAEHO C[N@@H+]1CC[C@H](NCc2ccc(NS(C)(=O)=O)cc2)[C@@H]2CCC[C@@H]21 ZINC000560515478 468823766 /nfs/dbraw/zinc/82/37/66/468823766.db2.gz UNIVMEURLFOFPS-ULQDDVLXSA-N 1 3 337.489 2.021 10 0 EEAEHO C[N@H+]1CC[C@H](NCc2ccc(NS(C)(=O)=O)cc2)[C@@H]2CCC[C@@H]21 ZINC000560515478 468823770 /nfs/dbraw/zinc/82/37/70/468823770.db2.gz UNIVMEURLFOFPS-ULQDDVLXSA-N 1 3 337.489 2.021 10 0 EEAEHO C[NH+](C)CCc1ccc(CNC[C@@H](O)COc2ccc(F)cc2)cc1 ZINC000572512427 468943953 /nfs/dbraw/zinc/94/39/53/468943953.db2.gz SPTPDRNYLQTUSY-LJQANCHMSA-N 1 3 346.446 2.459 10 0 EEAEHO Cc1ccc(C)c(OCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000617503553 469700742 /nfs/dbraw/zinc/70/07/42/469700742.db2.gz OFABKPHHLRCOAU-KRWDZBQOSA-N 1 3 335.492 2.070 10 0 EEAEHO Cc1ccc(C)c(OCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000617503553 469700745 /nfs/dbraw/zinc/70/07/45/469700745.db2.gz OFABKPHHLRCOAU-KRWDZBQOSA-N 1 3 335.492 2.070 10 0 EEAEHO COc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1Cl ZINC000617506624 469705116 /nfs/dbraw/zinc/70/51/16/469705116.db2.gz UJDYKMRYRRASRJ-ZDUSSCGKSA-N 1 3 341.883 2.350 10 0 EEAEHO COc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1Cl ZINC000617506624 469705119 /nfs/dbraw/zinc/70/51/19/469705119.db2.gz UJDYKMRYRRASRJ-ZDUSSCGKSA-N 1 3 341.883 2.350 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)NC[C@@H](c2cccs2)N2CCCC2)C[NH2+]1 ZINC000626922493 469755794 /nfs/dbraw/zinc/75/57/94/469755794.db2.gz ZKFYMUTYEGQHOE-KFWWJZLASA-N 1 3 336.505 2.325 10 0 EEAEHO CC(C)c1ccc([C@H](N)CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000627072072 469806604 /nfs/dbraw/zinc/80/66/04/469806604.db2.gz YOZFAMHZVHAVFC-RLLQIKCJSA-N 1 3 344.503 2.451 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000627165788 469830725 /nfs/dbraw/zinc/83/07/25/469830725.db2.gz GNJXUKAPJXUKST-GBESFXJTSA-N 1 3 344.503 2.433 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000627166398 469831987 /nfs/dbraw/zinc/83/19/87/469831987.db2.gz CZNFTGNWSDBKKI-FGTMMUONSA-N 1 3 330.476 2.043 10 0 EEAEHO O[C@]1(CNC2CC([NH+]3CCCCC3)C2)CCN(Cc2ccccc2)C1 ZINC000634712872 470284698 /nfs/dbraw/zinc/28/46/98/470284698.db2.gz NHZLXVUQYFSMKI-CBNMVNINSA-N 1 3 343.515 2.230 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)NC/C=C\C[NH3+])CCN1Cc1ccccc1 ZINC000641861590 470503904 /nfs/dbraw/zinc/50/39/04/470503904.db2.gz CGONZQHALLUYSQ-MYOVTOPRSA-N 1 3 330.476 2.196 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000646850198 470755245 /nfs/dbraw/zinc/75/52/45/470755245.db2.gz WVPRGKOWFGFHJE-ROUUACIJSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000646850198 470755248 /nfs/dbraw/zinc/75/52/48/470755248.db2.gz WVPRGKOWFGFHJE-ROUUACIJSA-N 1 3 329.488 2.451 10 0 EEAEHO C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000652140977 471243972 /nfs/dbraw/zinc/24/39/72/471243972.db2.gz BFPNXPXCXQZNDA-MRXNPFEDSA-N 1 3 332.492 2.326 10 0 EEAEHO C[C@H]1C[C@@H](NC(=O)NCCC2(C[NH3+])CC2)CN1Cc1ccccc1 ZINC000652167452 471248545 /nfs/dbraw/zinc/24/85/45/471248545.db2.gz UVXJXEQANGBEHL-DOTOQJQBSA-N 1 3 330.476 2.078 10 0 EEAEHO Cc1cccc(CN(CCN(C)C)C(=O)NCCC2(C[NH3+])CC2)c1 ZINC000652241334 471260817 /nfs/dbraw/zinc/26/08/17/471260817.db2.gz DWJFKCHIPBYDRY-UHFFFAOYSA-N 1 3 332.492 2.197 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CNCc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000655826536 471496907 /nfs/dbraw/zinc/49/69/07/471496907.db2.gz HXHSFBGXKPTTTO-VDISTLRHSA-N 1 3 337.830 2.490 10 0 EEAEHO COC1CCN(C2(CNC(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)CCCC2)CC1 ZINC000653118277 471497524 /nfs/dbraw/zinc/49/75/24/471497524.db2.gz HMMVHHAJQWNIFQ-ROUUACIJSA-N 1 3 349.519 2.057 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000659468669 471642858 /nfs/dbraw/zinc/64/28/58/471642858.db2.gz DCFAQXDFDYPUPT-KBAYOESNSA-N 1 3 332.492 2.322 10 0 EEAEHO C[C@]1(CNC(=O)N2CC3CC2(C[NH3+])C3)CCCN1Cc1ccccc1 ZINC000659483640 471650991 /nfs/dbraw/zinc/65/09/91/471650991.db2.gz CJCAWCFUPGEKKV-SKINQDTJSA-N 1 3 342.487 2.174 10 0 EEAEHO C[N@H+](Cc1ccccc1)C1(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)CCC1 ZINC000659500466 471658185 /nfs/dbraw/zinc/65/81/85/471658185.db2.gz VXFUSZAZRGQDOV-IAGOWNOFSA-N 1 3 348.466 2.122 10 0 EEAEHO C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)CCC1 ZINC000659500466 471658193 /nfs/dbraw/zinc/65/81/93/471658193.db2.gz VXFUSZAZRGQDOV-IAGOWNOFSA-N 1 3 348.466 2.122 10 0 EEAEHO COCc1ccccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665559862 472094531 /nfs/dbraw/zinc/09/45/31/472094531.db2.gz SNMFKVMEHUMLNG-HNNXBMFYSA-N 1 3 336.480 2.227 10 0 EEAEHO COCc1ccccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665559862 472094534 /nfs/dbraw/zinc/09/45/34/472094534.db2.gz SNMFKVMEHUMLNG-HNNXBMFYSA-N 1 3 336.480 2.227 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000665763775 472177995 /nfs/dbraw/zinc/17/79/95/472177995.db2.gz LKCKSDOTGHOXNV-BMGDILEWSA-N 1 3 336.524 2.088 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000665763775 472178003 /nfs/dbraw/zinc/17/80/03/472178003.db2.gz LKCKSDOTGHOXNV-BMGDILEWSA-N 1 3 336.524 2.088 10 0 EEAEHO NC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000663002775 472324057 /nfs/dbraw/zinc/32/40/57/472324057.db2.gz IXMWZCSBNIOEAE-MAUKXSAKSA-N 1 3 333.451 2.106 10 0 EEAEHO NC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000663002775 472324063 /nfs/dbraw/zinc/32/40/63/472324063.db2.gz IXMWZCSBNIOEAE-MAUKXSAKSA-N 1 3 333.451 2.106 10 0 EEAEHO COc1cc2c(cc1F)ncnc2NCC[N@H+](C)CCCN(C)C ZINC000664248340 485601796 /nfs/dbraw/zinc/60/17/96/485601796.db2.gz TVLRNUXVTHFNOY-UHFFFAOYSA-N 1 3 335.427 2.073 10 0 EEAEHO COc1cc2c(cc1F)ncnc2NCC[N@@H+](C)CCCN(C)C ZINC000664248340 485601801 /nfs/dbraw/zinc/60/18/01/485601801.db2.gz TVLRNUXVTHFNOY-UHFFFAOYSA-N 1 3 335.427 2.073 10 0 EEAEHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc2oc(=O)n(C)c2c1 ZINC000629545817 485731675 /nfs/dbraw/zinc/73/16/75/485731675.db2.gz CQLKCVWBDKKIFK-LLVKDONJSA-N 1 3 326.400 2.144 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000448358806 534935537 /nfs/dbraw/zinc/93/55/37/534935537.db2.gz HOEKPIWJUXDFGV-LJQANCHMSA-N 1 3 331.504 2.421 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000448358806 534935544 /nfs/dbraw/zinc/93/55/44/534935544.db2.gz HOEKPIWJUXDFGV-LJQANCHMSA-N 1 3 331.504 2.421 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[N@@H+]1C ZINC000914181877 683340524 /nfs/dbraw/zinc/34/05/24/683340524.db2.gz ANDRROBKMOUJDL-CRAIPNDOSA-N 1 3 344.503 2.215 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[N@H+]1C ZINC000914181877 683340531 /nfs/dbraw/zinc/34/05/31/683340531.db2.gz ANDRROBKMOUJDL-CRAIPNDOSA-N 1 3 344.503 2.215 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@@H]1CN(C[C@H]2CCCCO2)CC1(C)C ZINC001485582964 1191849050 /nfs/dbraw/zinc/84/90/50/1191849050.db2.gz WXLYQDDOUJNBBU-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001485657802 1191892167 /nfs/dbraw/zinc/89/21/67/1191892167.db2.gz NULZSNPGBOQGCS-GBESFXJTSA-N 1 3 344.503 2.139 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001485657802 1191892168 /nfs/dbraw/zinc/89/21/68/1191892168.db2.gz NULZSNPGBOQGCS-GBESFXJTSA-N 1 3 344.503 2.139 10 0 EEAEHO CCN(CCNC(=O)C12CC[NH+](CC1)C2)[C@@H](C)c1ccc(F)cc1 ZINC001481011886 1179490389 /nfs/dbraw/zinc/49/03/89/1179490389.db2.gz QNVMALWUWMYSFD-HNNXBMFYSA-N 1 3 333.451 2.421 10 0 EEAEHO COCCCC[N@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001267729572 1180317283 /nfs/dbraw/zinc/31/72/83/1180317283.db2.gz BCBNFMZIMBCRSM-UHFFFAOYSA-N 1 3 339.524 2.068 10 0 EEAEHO COCCCC[N@@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001267729572 1180317292 /nfs/dbraw/zinc/31/72/92/1180317292.db2.gz BCBNFMZIMBCRSM-UHFFFAOYSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1noc(C)c1C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001268152475 1181846160 /nfs/dbraw/zinc/84/61/60/1181846160.db2.gz XOJMJUZJURBYSU-WMZOPIPTSA-N 1 3 348.491 2.246 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2CC[NH2+]Cc2ccccn2)C1 ZINC001268164653 1181890454 /nfs/dbraw/zinc/89/04/54/1181890454.db2.gz YEDDABWHWLFZJM-PKOBYXMFSA-N 1 3 344.503 2.284 10 0 EEAEHO Cc1cc(CN2CC[C@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@@H]32)on1 ZINC001268272767 1182122410 /nfs/dbraw/zinc/12/24/10/1182122410.db2.gz VWXDSKVVVGRMPO-WMZOPIPTSA-N 1 3 348.491 2.138 10 0 EEAEHO C[C@@H](CCNCc1cc(C2CC2)no1)NC(=O)C12CCC[NH+]1CCC2 ZINC001268380706 1182409773 /nfs/dbraw/zinc/40/97/73/1182409773.db2.gz ZXCSHLFGFDRRES-AWEZNQCLSA-N 1 3 346.475 2.165 10 0 EEAEHO CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)NCc1cncs1 ZINC001481854586 1182813290 /nfs/dbraw/zinc/81/32/90/1182813290.db2.gz FFDCKJIEJLHAQC-GDBMZVCRSA-N 1 3 338.521 2.390 10 0 EEAEHO CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)NCc1cncs1 ZINC001481854586 1182813300 /nfs/dbraw/zinc/81/33/00/1182813300.db2.gz FFDCKJIEJLHAQC-GDBMZVCRSA-N 1 3 338.521 2.390 10 0 EEAEHO Cc1cccnc1C[NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001482130251 1183379716 /nfs/dbraw/zinc/37/97/16/1183379716.db2.gz ONRIKVABCGDIGB-HNNXBMFYSA-N 1 3 332.492 2.106 10 0 EEAEHO CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1cc(F)cc(F)c1)N(C)C ZINC001268915491 1183823649 /nfs/dbraw/zinc/82/36/49/1183823649.db2.gz MTKWMBVHOQSTAS-INIZCTEOSA-N 1 3 327.419 2.243 10 0 EEAEHO CCOCCC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001269714476 1184546545 /nfs/dbraw/zinc/54/65/45/1184546545.db2.gz XXHVMDBFNKXOTD-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1nn(C(C)C)cc1CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482284179 1185062389 /nfs/dbraw/zinc/06/23/89/1185062389.db2.gz VTSGWGUZBHSUHM-QGPMSJSTSA-N 1 3 349.523 2.049 10 0 EEAEHO Cc1nn(C(C)C)cc1CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482284179 1185062395 /nfs/dbraw/zinc/06/23/95/1185062395.db2.gz VTSGWGUZBHSUHM-QGPMSJSTSA-N 1 3 349.523 2.049 10 0 EEAEHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC[C@@H]1CCOC1 ZINC001482545350 1186640354 /nfs/dbraw/zinc/64/03/54/1186640354.db2.gz PSXUMGCFYNTUJJ-IAGOWNOFSA-N 1 3 339.524 2.018 10 0 EEAEHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000291109728 1187626482 /nfs/dbraw/zinc/62/64/82/1187626482.db2.gz SOVWLHWNBQDTCR-BQFCYCMXSA-N 1 3 344.503 2.454 10 0 EEAEHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000291109728 1187626485 /nfs/dbraw/zinc/62/64/85/1187626485.db2.gz SOVWLHWNBQDTCR-BQFCYCMXSA-N 1 3 344.503 2.454 10 0 EEAEHO CN(C)C1(C(=O)NC/C=C/C[NH2+]Cc2ccc(CF)cc2)CCC1 ZINC001483017770 1188004771 /nfs/dbraw/zinc/00/47/71/1188004771.db2.gz MGGLELRDPXMWNG-ONEGZZNKSA-N 1 3 333.451 2.402 10 0 EEAEHO CC[C@@H](C(=O)NC/C=C/C[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001483060552 1188354836 /nfs/dbraw/zinc/35/48/36/1188354836.db2.gz MIGPJXWNEPCNAQ-VGRIIWOTSA-N 1 3 333.451 2.415 10 0 EEAEHO Cc1cccnc1CN[C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001409348547 1189556551 /nfs/dbraw/zinc/55/65/51/1189556551.db2.gz DKYJGCNQJJXBHH-HOTGVXAUSA-N 1 3 332.492 2.247 10 0 EEAEHO COc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C2CCC2)ccc1C ZINC001409382021 1189605430 /nfs/dbraw/zinc/60/54/30/1189605430.db2.gz PKCMJJRYCMOUIN-HOTGVXAUSA-N 1 3 347.503 2.471 10 0 EEAEHO C[C@@H](NCc1ccccc1Cl)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001409419996 1189648837 /nfs/dbraw/zinc/64/88/37/1189648837.db2.gz LJTGMLNNPKCWIL-KGLIPLIRSA-N 1 3 335.879 2.419 10 0 EEAEHO C[C@H](C(=O)NC[C@H](C)[N@H+](C)CC1CCOCC1)N1CCCCCC1 ZINC001409649710 1190143628 /nfs/dbraw/zinc/14/36/28/1190143628.db2.gz WZUVOZBZNKGYIQ-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC1CCOCC1)N1CCCCCC1 ZINC001409649710 1190143631 /nfs/dbraw/zinc/14/36/31/1190143631.db2.gz WZUVOZBZNKGYIQ-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ccc(CN(C)C[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1F ZINC001483407331 1190453263 /nfs/dbraw/zinc/45/32/63/1190453263.db2.gz LMLKYEYHSUSCAA-HNNXBMFYSA-N 1 3 333.451 2.166 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC1CCOCC1 ZINC001483422020 1190470528 /nfs/dbraw/zinc/47/05/28/1190470528.db2.gz UDSBOBYJRRQMAE-FUHWJXTLSA-N 1 3 339.524 2.114 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC1CCOCC1 ZINC001483422020 1190470533 /nfs/dbraw/zinc/47/05/33/1190470533.db2.gz UDSBOBYJRRQMAE-FUHWJXTLSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cc(CNC[C@H](NC(=O)C23CCC[NH+]2CCC3)C2CC2)sn1 ZINC001483571825 1190560259 /nfs/dbraw/zinc/56/02/59/1190560259.db2.gz IASUJARTDGKIBZ-INIZCTEOSA-N 1 3 348.516 2.064 10 0 EEAEHO C[NH+](C)CCCCC(=O)NC[C@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001483694286 1190769286 /nfs/dbraw/zinc/76/92/86/1190769286.db2.gz VGWVNTHLZJFKFG-LSDHHAIUSA-N 1 3 331.451 2.344 10 0 EEAEHO Cc1noc(C)c1C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001272534202 1190870071 /nfs/dbraw/zinc/87/00/71/1190870071.db2.gz NICBJTHZYQWEKC-AEFFLSMTSA-N 1 3 348.491 2.104 10 0 EEAEHO CC[C@H](F)CNC1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001483740938 1190890469 /nfs/dbraw/zinc/89/04/69/1190890469.db2.gz XKCZLENTNKVANL-GOEBONIOSA-N 1 3 325.472 2.380 10 0 EEAEHO CC[C@H](F)CNC1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001483740938 1190890472 /nfs/dbraw/zinc/89/04/72/1190890472.db2.gz XKCZLENTNKVANL-GOEBONIOSA-N 1 3 325.472 2.380 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1([NH2+]CC[C@H]2CC2(Cl)Cl)CC1 ZINC001483794558 1191033930 /nfs/dbraw/zinc/03/39/30/1191033930.db2.gz INODZHYHCMRLOK-LBPRGKRZSA-N 1 3 336.307 2.149 10 0 EEAEHO C[NH+](C)CCC(=O)N1CCC2(C1)CCN(CCC(F)(F)F)CC2 ZINC001483836767 1191087400 /nfs/dbraw/zinc/08/74/00/1191087400.db2.gz KYUMRMKATCDPBZ-UHFFFAOYSA-N 1 3 335.414 2.205 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C3CC3)no2)C[C@@H]1C ZINC001483915581 1191115102 /nfs/dbraw/zinc/11/51/02/1191115102.db2.gz YCUFYLONBSEKLZ-GOEBONIOSA-N 1 3 348.491 2.361 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC2(C)CCN(CCC(F)(F)F)CC2)C1 ZINC001483974210 1191137716 /nfs/dbraw/zinc/13/77/16/1191137716.db2.gz VOEVJNTVJOXDGK-CYBMUJFWSA-N 1 3 335.414 2.251 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC2(C)CCN(CCC(F)(F)F)CC2)C1 ZINC001483974210 1191137718 /nfs/dbraw/zinc/13/77/18/1191137718.db2.gz VOEVJNTVJOXDGK-CYBMUJFWSA-N 1 3 335.414 2.251 10 0 EEAEHO CC(C)N(C)CC(=O)NC1(C)CC[NH+](CCOc2ccccc2)CC1 ZINC001483976188 1191138334 /nfs/dbraw/zinc/13/83/34/1191138334.db2.gz GOOOBCOIPDLRQN-UHFFFAOYSA-N 1 3 347.503 2.376 10 0 EEAEHO CC(C)(C)CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCC2)CCO1 ZINC001484689040 1191471758 /nfs/dbraw/zinc/47/17/58/1191471758.db2.gz QUKJZMKHWXSFNJ-INIZCTEOSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CCc2ccccc2)C1 ZINC001485069272 1191636861 /nfs/dbraw/zinc/63/68/61/1191636861.db2.gz LJVIILOMURGWGF-QUCCMNQESA-N 1 3 343.515 2.494 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CCc2ccccc2)C1 ZINC001485069272 1191636862 /nfs/dbraw/zinc/63/68/62/1191636862.db2.gz LJVIILOMURGWGF-QUCCMNQESA-N 1 3 343.515 2.494 10 0 EEAEHO CC(C)[C@H](C(=O)NC1CC(C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001485108304 1191657143 /nfs/dbraw/zinc/65/71/43/1191657143.db2.gz LKPIVJFHEXWWJG-CTWPCTMYSA-N 1 3 331.504 2.300 10 0 EEAEHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](C)[NH2+]Cc1cncc(F)c1 ZINC001485196817 1191682225 /nfs/dbraw/zinc/68/22/25/1191682225.db2.gz YGWUTEZFPKDMQW-ZIAGYGMSSA-N 1 3 338.471 2.181 10 0 EEAEHO C[C@@H](NCc1cncc(F)c1)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001485229630 1191698730 /nfs/dbraw/zinc/69/87/30/1191698730.db2.gz KKDHXYNGUZOICS-HUUCEWRRSA-N 1 3 336.455 2.080 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C)C1CC[NH+](Cc2cnccc2C)CC1)N(C)C ZINC001486440807 1193968606 /nfs/dbraw/zinc/96/86/06/1193968606.db2.gz BESYWXIYHZFIHF-VQIMIIECSA-N 1 3 346.519 2.447 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccnc1 ZINC001273053556 1194357709 /nfs/dbraw/zinc/35/77/09/1194357709.db2.gz ZAXKTICGBIVZRE-WMZOPIPTSA-N 1 3 332.492 2.329 10 0 EEAEHO CCc1ccc(CC[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1 ZINC001671280841 1194690419 /nfs/dbraw/zinc/69/04/19/1194690419.db2.gz IAVQIBDPGRHPJE-PMACEKPBSA-N 1 3 343.515 2.466 10 0 EEAEHO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)NC[C@@H]2CCCN2C)CC1 ZINC001414706580 1197206991 /nfs/dbraw/zinc/20/69/91/1197206991.db2.gz YKHGLRIRGZZWSB-ROUUACIJSA-N 1 3 336.524 2.377 10 0 EEAEHO CCCN(C)CC(=O)N1CCC([N@H+](C)C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001410256039 1197639403 /nfs/dbraw/zinc/63/94/03/1197639403.db2.gz XPHLQSGBUZADPT-IAGOWNOFSA-N 1 3 339.524 2.066 10 0 EEAEHO CCCN(C)CC(=O)N1CCC([N@@H+](C)C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001410256039 1197639405 /nfs/dbraw/zinc/63/94/05/1197639405.db2.gz XPHLQSGBUZADPT-IAGOWNOFSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001410493203 1198047347 /nfs/dbraw/zinc/04/73/47/1198047347.db2.gz AJOXHKQYEACSCP-ZDUSSCGKSA-N 1 3 327.419 2.242 10 0 EEAEHO Cc1oc2ccccc2c1CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872254843 1198114105 /nfs/dbraw/zinc/11/41/05/1198114105.db2.gz DNAPSLQPEPKTCG-XCRHUMRWSA-N 1 3 341.411 2.108 10 0 EEAEHO CC[N@H+](C)CCC(=O)NC1(C2CCN(Cc3ccccn3)CC2)CC1 ZINC001411254240 1198979204 /nfs/dbraw/zinc/97/92/04/1198979204.db2.gz HQRQMSYJDVRLJE-UHFFFAOYSA-N 1 3 344.503 2.284 10 0 EEAEHO CC[N@@H+](C)CCC(=O)NC1(C2CCN(Cc3ccccn3)CC2)CC1 ZINC001411254240 1198979209 /nfs/dbraw/zinc/97/92/09/1198979209.db2.gz HQRQMSYJDVRLJE-UHFFFAOYSA-N 1 3 344.503 2.284 10 0 EEAEHO CC(C)(C)[C@@]1(CN)CC[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000866703227 1201584169 /nfs/dbraw/zinc/58/41/69/1201584169.db2.gz GTMPDXOXKNXUMY-LJQANCHMSA-N 1 3 347.459 2.441 10 0 EEAEHO CC(C)(C)[C@@]1(CN)CC[N@@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000866703227 1201584171 /nfs/dbraw/zinc/58/41/71/1201584171.db2.gz GTMPDXOXKNXUMY-LJQANCHMSA-N 1 3 347.459 2.441 10 0 EEAEHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNCc1cccnc1C ZINC001274608684 1205095563 /nfs/dbraw/zinc/09/55/63/1205095563.db2.gz HCIVVVDROUDSCV-OOFWQKGWSA-N 1 3 330.476 2.026 10 0 EEAEHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNCc1cccnc1C ZINC001274608684 1205095566 /nfs/dbraw/zinc/09/55/66/1205095566.db2.gz HCIVVVDROUDSCV-OOFWQKGWSA-N 1 3 330.476 2.026 10 0 EEAEHO CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CNCCC2(F)F)c2ccccc2C1 ZINC000925783872 1206153651 /nfs/dbraw/zinc/15/36/51/1206153651.db2.gz PAJIBGJOUQBSCI-RDJZCZTQSA-N 1 3 337.414 2.314 10 0 EEAEHO CCOC(=O)c1oc2c(c1C)[C@@H](NCCN1CCC([NH3+])CC1)CCC2 ZINC000925813422 1206156859 /nfs/dbraw/zinc/15/68/59/1206156859.db2.gz VLXCKSRWUWONMF-HNNXBMFYSA-N 1 3 349.475 2.155 10 0 EEAEHO C[C@H](NCCN1CCC([NH3+])CC1)c1nc2ccc(Cl)cc2n1C ZINC000925814445 1206156956 /nfs/dbraw/zinc/15/69/56/1206156956.db2.gz JMGIAYBBUDRJJI-LBPRGKRZSA-N 1 3 335.883 2.300 10 0 EEAEHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCCOC1CCOCC1 ZINC000925878778 1206163443 /nfs/dbraw/zinc/16/34/43/1206163443.db2.gz ZMIROZLJFIQLPJ-PKOBYXMFSA-N 1 3 332.444 2.028 10 0 EEAEHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000926375139 1206216679 /nfs/dbraw/zinc/21/66/79/1206216679.db2.gz XUHYRWZDPGZBJL-HZSIZEEPSA-N 1 3 328.460 2.223 10 0 EEAEHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000926375139 1206216680 /nfs/dbraw/zinc/21/66/80/1206216680.db2.gz XUHYRWZDPGZBJL-HZSIZEEPSA-N 1 3 328.460 2.223 10 0 EEAEHO C[N@@H+]1CCC[C@]2(CCN(C[C@@H](O)CC[C@H](O)c3ccccc3)C2)C1 ZINC000930575983 1206567985 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2.293 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC2(CC[N@@H+](CC[C@H](C)F)C2)CC1 ZINC001495606098 1258722276 /nfs/dbraw/zinc/72/22/76/1258722276.db2.gz NSARBJKYVHUZQC-INIZCTEOSA-N 1 3 327.488 2.389 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC2(CC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001495606098 1258722279 /nfs/dbraw/zinc/72/22/79/1258722279.db2.gz NSARBJKYVHUZQC-INIZCTEOSA-N 1 3 327.488 2.389 10 0 EEAEHO CCN(CC[NH2+]CC1CC(F)(F)C1)C(=O)[C@@H]1CCCCN1CC ZINC001273772583 1285356100 /nfs/dbraw/zinc/35/61/00/1285356100.db2.gz ZWXDVTYJOBLXQL-HNNXBMFYSA-N 1 3 331.451 2.344 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@]2(CC[N@H+](CCCOCC)C2)C1 ZINC001273848358 1286754304 /nfs/dbraw/zinc/75/43/04/1286754304.db2.gz INAUSUWTNSDWLR-LJQANCHMSA-N 1 3 339.524 2.069 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@]2(CC[N@@H+](CCCOCC)C2)C1 ZINC001273848358 1286754319 /nfs/dbraw/zinc/75/43/19/1286754319.db2.gz INAUSUWTNSDWLR-LJQANCHMSA-N 1 3 339.524 2.069 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@H]1CCCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001490455079 1291392173 /nfs/dbraw/zinc/39/21/73/1291392173.db2.gz PVJSMRZLIPOTHT-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ncoc1CNC[C@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001278571371 1317258366 /nfs/dbraw/zinc/25/83/66/1317258366.db2.gz FSGRVXDWNVNKEM-SFHVURJKSA-N 1 3 336.480 2.043 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001265422175 1323148097 /nfs/dbraw/zinc/14/80/97/1323148097.db2.gz CWLZOZDYMMQTIH-XYCCBJPKSA-N 1 3 327.472 2.375 10 0 EEAEHO Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001265459905 1323167165 /nfs/dbraw/zinc/16/71/65/1323167165.db2.gz QXWAQWOKJMTEAJ-IBGZPJMESA-N 1 3 331.504 2.458 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CC[NH2+]CCc2ccccc2)C1 ZINC001280207825 1324114729 /nfs/dbraw/zinc/11/47/29/1324114729.db2.gz ORISYESTWLINPM-QGZVFWFLSA-N 1 3 326.444 2.023 10 0 EEAEHO CC[C@H](F)CN1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001280394201 1324197390 /nfs/dbraw/zinc/19/73/90/1324197390.db2.gz DVBZQDAWKMTKFG-INIZCTEOSA-N 1 3 327.488 2.391 10 0 EEAEHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCCC(F)(F)F)C[C@H]21)N(C)C ZINC001282872914 1325816528 /nfs/dbraw/zinc/81/65/28/1325816528.db2.gz ZRFHMJRWOWUMMF-APIJFGDWSA-N 1 3 349.441 2.353 10 0 EEAEHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCCC(F)(F)F)C[C@H]21)N(C)C ZINC001282872914 1325816530 /nfs/dbraw/zinc/81/65/30/1325816530.db2.gz ZRFHMJRWOWUMMF-APIJFGDWSA-N 1 3 349.441 2.353 10 0 EEAEHO CC(C)(C(=O)N[C@@H]1CC[C@H](C[NH2+]C/C=C\Cl)C1)N1CCCC1 ZINC001284199688 1326457450 /nfs/dbraw/zinc/45/74/50/1326457450.db2.gz XSFVCXBCYQCYPM-DNWYELSFSA-N 1 3 327.900 2.488 10 0 EEAEHO CCOCCN(C)CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C(C)C ZINC001284553451 1326608435 /nfs/dbraw/zinc/60/84/35/1326608435.db2.gz LZFQDHHWCZGAEC-ROUUACIJSA-N 1 3 339.524 2.209 10 0 EEAEHO CCOCCN(C)CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C(C)C ZINC001284553451 1326608436 /nfs/dbraw/zinc/60/84/36/1326608436.db2.gz LZFQDHHWCZGAEC-ROUUACIJSA-N 1 3 339.524 2.209 10 0 EEAEHO CN(CC(=O)NCC1=CC[N@H+](CCC2CCOCC2)CC1)C1CCC1 ZINC001284927385 1326779139 /nfs/dbraw/zinc/77/91/39/1326779139.db2.gz CRIRWYQSBXQQKN-UHFFFAOYSA-N 1 3 349.519 2.036 10 0 EEAEHO CN(CC(=O)NCC1=CC[N@@H+](CCC2CCOCC2)CC1)C1CCC1 ZINC001284927385 1326779142 /nfs/dbraw/zinc/77/91/42/1326779142.db2.gz CRIRWYQSBXQQKN-UHFFFAOYSA-N 1 3 349.519 2.036 10 0 EEAEHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@H]1CCc2c1cc(F)cc2F ZINC001491632908 1330191087 /nfs/dbraw/zinc/19/10/87/1330191087.db2.gz UVYWRPCGGLOJDM-PXAZEXFGSA-N 1 3 339.430 2.388 10 0 EEAEHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@H]1CCc2c1cc(F)cc2F ZINC001491632908 1330191088 /nfs/dbraw/zinc/19/10/88/1330191088.db2.gz UVYWRPCGGLOJDM-PXAZEXFGSA-N 1 3 339.430 2.388 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCCc2ccc(Cl)cc2)C1 ZINC001317065694 1332067286 /nfs/dbraw/zinc/06/72/86/1332067286.db2.gz UPDUDQHSQCINPO-INIZCTEOSA-N 1 3 346.862 2.429 10 0 EEAEHO CCc1ccccc1CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001317343256 1332187241 /nfs/dbraw/zinc/18/72/41/1332187241.db2.gz KAIBITZHOAJXDQ-SFHVURJKSA-N 1 3 343.515 2.325 10 0 EEAEHO COCCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001317363588 1332196410 /nfs/dbraw/zinc/19/64/10/1332196410.db2.gz NFZHZQRFXPEMMT-MOPGFXCFSA-N 1 3 347.503 2.415 10 0 EEAEHO CC(C)N(CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1ccnn1C ZINC001317708480 1332381867 /nfs/dbraw/zinc/38/18/67/1332381867.db2.gz CNHHPGXBXLBRLC-IAGOWNOFSA-N 1 3 349.523 2.010 10 0 EEAEHO C[C@H](CNCc1ccnc(Cl)c1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001319522397 1332715508 /nfs/dbraw/zinc/71/55/08/1332715508.db2.gz DCDDKFGQJVULQA-CYBMUJFWSA-N 1 3 338.883 2.013 10 0 EEAEHO C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001320446520 1332885547 /nfs/dbraw/zinc/88/55/47/1332885547.db2.gz MZAKDIYQINIPAX-CYBMUJFWSA-N 1 3 339.430 2.434 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001326419339 1334089649 /nfs/dbraw/zinc/08/96/49/1334089649.db2.gz PKRZVDKXRQEECL-INIZCTEOSA-N 1 3 335.467 2.496 10 0 EEAEHO COc1cccc(C[NH2+]CC[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001326436916 1334093628 /nfs/dbraw/zinc/09/36/28/1334093628.db2.gz HGYKJVKWRAHKGZ-KRWDZBQOSA-N 1 3 347.503 2.364 10 0 EEAEHO Cc1nc(C)c(C[N@H+]2CCC[C@H]2CCCNC(=O)[C@@H]2CCCN2C)o1 ZINC001567247254 1342718031 /nfs/dbraw/zinc/71/80/31/1342718031.db2.gz MIIWXJFDHFBHCW-SJORKVTESA-N 1 3 348.491 2.246 10 0 EEAEHO Cc1nc(C)c(C[N@@H+]2CCC[C@H]2CCCNC(=O)[C@@H]2CCCN2C)o1 ZINC001567247254 1342718035 /nfs/dbraw/zinc/71/80/35/1342718035.db2.gz MIIWXJFDHFBHCW-SJORKVTESA-N 1 3 348.491 2.246 10 0 EEAEHO Cc1cc(CN[C@@H](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)on1 ZINC001569824863 1342953319 /nfs/dbraw/zinc/95/33/19/1342953319.db2.gz BNIXYFLXHXJJIM-JKSUJKDBSA-N 1 3 336.480 2.042 10 0 EEAEHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001676423301 1357148886 /nfs/dbraw/zinc/14/88/86/1357148886.db2.gz CZNWKHSFNBNVOZ-KGLIPLIRSA-N 1 3 338.883 2.013 10 0 EEAEHO c1cc2c(c(-c3nc([C@H]4CN5CCC4CC5)no3)c1)OCC[NH2+]C2 ZINC001647546147 1353320349 /nfs/dbraw/zinc/32/03/49/1353320349.db2.gz KJRYSLRPADJSKS-HNNXBMFYSA-N 1 3 326.400 2.028 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCOC(C)C)C1 ZINC001662728653 1354833325 /nfs/dbraw/zinc/83/33/25/1354833325.db2.gz RKCAOLMDXFXICO-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cc(CNCCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)on1 ZINC001666212010 1355485253 /nfs/dbraw/zinc/48/52/53/1355485253.db2.gz YTEHNUWVPOUWNR-CRAIPNDOSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1cc(CNCCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)on1 ZINC001666212010 1355485256 /nfs/dbraw/zinc/48/52/56/1355485256.db2.gz YTEHNUWVPOUWNR-CRAIPNDOSA-N 1 3 348.491 2.042 10 0 EEAEHO C[C@H](C[NH2+]CCc1ccccc1Cl)N(C)C(=O)CN1CCCC1 ZINC001667053816 1355639634 /nfs/dbraw/zinc/63/96/34/1355639634.db2.gz IQMHOKLTYSZQLN-OAHLLOKOSA-N 1 3 337.895 2.415 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CC[C@H]1CCOC1 ZINC001667307105 1355705213 /nfs/dbraw/zinc/70/52/13/1355705213.db2.gz QQQYSPNNAZKWMF-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ncc(CNCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC001668325914 1355924290 /nfs/dbraw/zinc/92/42/90/1355924290.db2.gz MYBNNUFMUURZEO-YOEHRIQHSA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC2=CCCCC2)CCOCC1 ZINC001671952444 1356443461 /nfs/dbraw/zinc/44/34/61/1356443461.db2.gz OIRWAJHFKGUHAR-UHFFFAOYSA-N 1 3 346.475 2.016 10 0 EEAEHO CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001673402132 1356686715 /nfs/dbraw/zinc/68/67/15/1356686715.db2.gz PERSETPVGQGKTC-ROUUACIJSA-N 1 3 341.540 2.358 10 0 EEAEHO CC(C)OCCC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001673402132 1356686717 /nfs/dbraw/zinc/68/67/17/1356686717.db2.gz PERSETPVGQGKTC-ROUUACIJSA-N 1 3 341.540 2.358 10 0 EEAEHO COc1cccc(C[NH2+]CC[C@H](C)NC(=O)C2(N(C)C)CCC2)c1C ZINC001699106281 1405260360 /nfs/dbraw/zinc/26/03/60/1405260360.db2.gz LPMLFSFJESXMCU-HNNXBMFYSA-N 1 3 347.503 2.472 10 0 EEAEHO CSc1ccc([C@@H](CNC(=O)C23CC[NH+](CC2)C3)N(C)C)cc1 ZINC000908456482 785446097 /nfs/dbraw/zinc/44/60/97/785446097.db2.gz DRWWJJYMBTYPEX-MRXNPFEDSA-N 1 3 333.501 2.223 10 0 EEAEHO Cc1cc(C)cc(OCCN(C)C(=O)CN2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923499915 789683849 /nfs/dbraw/zinc/68/38/49/789683849.db2.gz ODTIEVAFOMJIDB-QZTJIDSGSA-N 1 3 347.503 2.057 10 0 EEAEHO Cc1ccc2nc(CN3CCC([C@@H]4[NH2+]CC4(C)C)CC3)cc(=O)n2c1 ZINC000952877378 796061397 /nfs/dbraw/zinc/06/13/97/796061397.db2.gz PEMZMQNIBCZLSF-IBGZPJMESA-N 1 3 340.471 2.213 10 0 EEAEHO C[C@@H]1OCC[C@]1(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716694237 796443294 /nfs/dbraw/zinc/44/32/94/796443294.db2.gz SAVSFSSNSRODOK-UVBQOVKKSA-N 1 3 330.472 2.169 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCCCC[C@H]([NH2+]CCOCC2CCC2)C1 ZINC001566075652 1125548364 /nfs/dbraw/zinc/54/83/64/1125548364.db2.gz UZBRNSUKTWDLHJ-KRWDZBQOSA-N 1 3 348.491 2.130 10 0 EEAEHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC001566226239 1125591545 /nfs/dbraw/zinc/59/15/45/1125591545.db2.gz MNTIHNXDYWNKDG-XDNAFOTISA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001436420468 1087780769 /nfs/dbraw/zinc/78/07/69/1087780769.db2.gz GRYUNRZHTLVHOA-DOTOQJQBSA-N 1 3 344.434 2.474 10 0 EEAEHO Cc1ccc(F)c(C[NH2+][C@H](CNC(=O)CN2CC[C@@H](C)C2)C2CC2)c1 ZINC001436806975 1088389194 /nfs/dbraw/zinc/38/91/94/1088389194.db2.gz MLHSJQWXDJIVCS-DNVCBOLYSA-N 1 3 347.478 2.460 10 0 EEAEHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001436935699 1088609016 /nfs/dbraw/zinc/60/90/16/1088609016.db2.gz QGLDBURAJYBJMK-FDYHWXHSSA-N 1 3 334.291 2.415 10 0 EEAEHO Cc1ncc(CN[C@@H]2CCC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001437321030 1089482799 /nfs/dbraw/zinc/48/27/99/1089482799.db2.gz IKFGEAXCQRARIX-IAGOWNOFSA-N 1 3 348.491 2.376 10 0 EEAEHO Cc1cc(F)ccc1C[N@H+]1CC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001437728050 1090285059 /nfs/dbraw/zinc/28/50/59/1090285059.db2.gz OGVBJAXUXGBQMT-RDJZCZTQSA-N 1 3 347.478 2.414 10 0 EEAEHO Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001437728050 1090285065 /nfs/dbraw/zinc/28/50/65/1090285065.db2.gz OGVBJAXUXGBQMT-RDJZCZTQSA-N 1 3 347.478 2.414 10 0 EEAEHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001438680807 1091177758 /nfs/dbraw/zinc/17/77/58/1091177758.db2.gz IMVHFDZFXWYVOD-GDBMZVCRSA-N 1 3 335.467 2.412 10 0 EEAEHO Cc1ncc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CN(C)C(C)C)s1 ZINC001438967660 1091660081 /nfs/dbraw/zinc/66/00/81/1091660081.db2.gz SHGVTWHRATZRER-GOEBONIOSA-N 1 3 338.521 2.166 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cnc(C)o1 ZINC001445902156 1091828735 /nfs/dbraw/zinc/82/87/35/1091828735.db2.gz QYXWGUROVZNAPM-WBVHZDCISA-N 1 3 336.480 2.089 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(C)c(F)c1)C1CC1)N(C)C ZINC001439485375 1092293315 /nfs/dbraw/zinc/29/33/15/1092293315.db2.gz PGUICNOIGRIZFA-ZWKOTPCHSA-N 1 3 335.467 2.459 10 0 EEAEHO C[C@H](NC1(CNC(=O)C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC001446230682 1092340953 /nfs/dbraw/zinc/34/09/53/1092340953.db2.gz RNPQRYOWYFYVFE-AWEZNQCLSA-N 1 3 333.451 2.467 10 0 EEAEHO 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1103491932 /nfs/dbraw/zinc/49/19/32/1103491932.db2.gz UISOQVAPLQTSLE-LSDHHAIUSA-N 1 3 335.467 2.335 10 0 EEAEHO CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)NCc1cnc(C)s1 ZINC001495015712 1104657586 /nfs/dbraw/zinc/65/75/86/1104657586.db2.gz WPCRITTXFFQOTD-AWEZNQCLSA-N 1 3 336.505 2.064 10 0 EEAEHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001480679488 1106869553 /nfs/dbraw/zinc/86/95/53/1106869553.db2.gz NXAABTGQXZORGJ-MBNRZODZSA-N 1 3 327.472 2.234 10 0 EEAEHO CCC[N@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CC1CC1 ZINC001493318879 1107922919 /nfs/dbraw/zinc/92/29/19/1107922919.db2.gz XTUXXZGLTSBGET-SFHVURJKSA-N 1 3 327.488 2.437 10 0 EEAEHO CCC[N@@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CC1CC1 ZINC001493318879 1107922927 /nfs/dbraw/zinc/92/29/27/1107922927.db2.gz XTUXXZGLTSBGET-SFHVURJKSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@H]1CCN(CC(=O)N[C@@H](C[NH2+]Cc2cccnc2)C2CCCC2)C1 ZINC001500112360 1112623181 /nfs/dbraw/zinc/62/31/81/1112623181.db2.gz VGGGPIQEGOBGHK-LPHOPBHVSA-N 1 3 344.503 2.188 10 0 EEAEHO CC(C)[C@@H](CCN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cccnc1 ZINC001506477179 1114636397 /nfs/dbraw/zinc/63/63/97/1114636397.db2.gz ALWURYVLZPKTHS-IEBWSBKVSA-N 1 3 346.519 2.386 10 0 EEAEHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)NCc1cncc(F)c1 ZINC001507160866 1115141401 /nfs/dbraw/zinc/14/14/01/1115141401.db2.gz GSUODXMVMFFMKJ-OAHLLOKOSA-N 1 3 336.455 2.033 10 0 EEAEHO CC(C)OCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001507339211 1115202750 /nfs/dbraw/zinc/20/27/50/1115202750.db2.gz MMGNBDSPRLVKPM-APWZRJJASA-N 1 3 347.503 2.366 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C[C@@H]1C ZINC001507341370 1115204228 /nfs/dbraw/zinc/20/42/28/1115204228.db2.gz SOQQBSDSJLUVNW-GUYCJALGSA-N 1 3 339.430 2.384 10 0 EEAEHO CC1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC/C=C/Cl ZINC001507453523 1115278735 /nfs/dbraw/zinc/27/87/35/1115278735.db2.gz JRNOLHGJONIQIB-PMGBHYCQSA-N 1 3 327.900 2.442 10 0 EEAEHO C[C@H](CCNCc1c(F)cccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001568672490 1124686400 /nfs/dbraw/zinc/68/64/00/1124686400.db2.gz MQFFZYCWLDUUQW-CYBMUJFWSA-N 1 3 339.430 2.291 10 0 EEAEHO C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)CCN1Cc1ccccc1 ZINC000422838490 240255724 /nfs/dbraw/zinc/25/57/24/240255724.db2.gz OOFXZIIXGORMDB-DBOLQNLKSA-N 1 3 343.515 2.396 10 0 EEAEHO C[C@@H]1CN(c2ccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])cn2)C[C@H](C)O1 ZINC000422878022 240271038 /nfs/dbraw/zinc/27/10/38/240271038.db2.gz IRLJLSZJSQSIGJ-CYGHRXIMSA-N 1 3 332.492 2.302 10 0 EEAEHO C[C@@H](NC(=O)N[C@H](Cc1ccccc1)CN(C)C)C(C)(C)C[NH+](C)C ZINC000085393895 296088416 /nfs/dbraw/zinc/08/84/16/296088416.db2.gz RUWNBTVDSITQQS-SJLPKXTDSA-N 1 3 348.535 2.435 10 0 EEAEHO CCOC(=O)C1CCC(O)(CN(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000190916447 256003914 /nfs/dbraw/zinc/00/39/14/256003914.db2.gz ZIPLKVDJKAVMON-TVRKMHQQSA-N 1 3 340.508 2.277 10 0 EEAEHO CCOC(=O)C1CCC(O)(CN(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000190916447 256003917 /nfs/dbraw/zinc/00/39/17/256003917.db2.gz ZIPLKVDJKAVMON-TVRKMHQQSA-N 1 3 340.508 2.277 10 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/nfs/dbraw/zinc/29/25/05/227292505.db2.gz RSZVQBNFGDAGDA-LJQANCHMSA-N 1 3 342.487 2.141 10 0 EEAEHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171807154 227292511 /nfs/dbraw/zinc/29/25/11/227292511.db2.gz RSZVQBNFGDAGDA-LJQANCHMSA-N 1 3 342.487 2.141 10 0 EEAEHO COCCN1CC[C@H](Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)C1 ZINC000274369671 269028807 /nfs/dbraw/zinc/02/88/07/269028807.db2.gz KPRVPUMXMFEBPE-KRWDZBQOSA-N 1 3 348.491 2.018 10 0 EEAEHO CC(C)N1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000271460166 274132193 /nfs/dbraw/zinc/13/21/93/274132193.db2.gz HKFVAVBVRLXHPH-QRQLOZEOSA-N 1 3 329.488 2.496 10 0 EEAEHO CC(C)N1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000271460166 274132197 /nfs/dbraw/zinc/13/21/97/274132197.db2.gz HKFVAVBVRLXHPH-QRQLOZEOSA-N 1 3 329.488 2.496 10 0 EEAEHO CC(C)N1CCC[C@H](NC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000274547156 274206778 /nfs/dbraw/zinc/20/67/78/274206778.db2.gz WZHRHZNISALEAP-INIZCTEOSA-N 1 3 333.476 2.230 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@]2(O)CCSC2)CC1 ZINC000088738913 276013294 /nfs/dbraw/zinc/01/32/94/276013294.db2.gz NZPMOKQWXMWZMG-IBGZPJMESA-N 1 3 349.544 2.176 10 0 EEAEHO C[C@H](CCNC(=O)N1CC[C@@H](N(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000175634218 278173048 /nfs/dbraw/zinc/17/30/48/278173048.db2.gz UWRYBMBDINOXEJ-SJLPKXTDSA-N 1 3 332.492 2.243 10 0 EEAEHO C[C@H](CCNC(=O)N1CC[C@@H](N(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175634218 278173050 /nfs/dbraw/zinc/17/30/50/278173050.db2.gz UWRYBMBDINOXEJ-SJLPKXTDSA-N 1 3 332.492 2.243 10 0 EEAEHO CC[N@H+](CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)C1CC1 ZINC000245662992 279202027 /nfs/dbraw/zinc/20/20/27/279202027.db2.gz QDOPDSDUFQQALK-ROUUACIJSA-N 1 3 330.476 2.215 10 0 EEAEHO CC[N@@H+](CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)C1CC1 ZINC000245662992 279202030 /nfs/dbraw/zinc/20/20/30/279202030.db2.gz QDOPDSDUFQQALK-ROUUACIJSA-N 1 3 330.476 2.215 10 0 EEAEHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000417636376 313552372 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CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CCCN1C ZINC000139531535 463326365 /nfs/dbraw/zinc/32/63/65/463326365.db2.gz WAZUTQUBBIZLDW-SFHVURJKSA-N 1 3 332.492 2.420 10 0 EEAEHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)N1CCN(C)CC1 ZINC000268918900 463808715 /nfs/dbraw/zinc/80/87/15/463808715.db2.gz VYSPZEMWNGXWFV-SBHAEUEKSA-N 1 3 344.547 2.123 10 0 EEAEHO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261727272 463840424 /nfs/dbraw/zinc/84/04/24/463840424.db2.gz GRXMTJRMRJOTOA-DZGCQCFKSA-N 1 3 335.414 2.109 10 0 EEAEHO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179625665 464164834 /nfs/dbraw/zinc/16/48/34/464164834.db2.gz MJARVHTWWNNDEU-QZTJIDSGSA-N 1 3 332.492 2.463 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CC=CC3)C2)C1 ZINC000174264454 464385211 /nfs/dbraw/zinc/38/52/11/464385211.db2.gz NUPBSEZDECDZRN-KSZLIROESA-N 1 3 348.535 2.399 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CC=CC3)C2)C1 ZINC000174264454 464385214 /nfs/dbraw/zinc/38/52/14/464385214.db2.gz NUPBSEZDECDZRN-KSZLIROESA-N 1 3 348.535 2.399 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000245959314 464530726 /nfs/dbraw/zinc/53/07/26/464530726.db2.gz XVOFBQZEOFFMIA-ZIFCJYIRSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000245959314 464530729 /nfs/dbraw/zinc/53/07/29/464530729.db2.gz XVOFBQZEOFFMIA-ZIFCJYIRSA-N 1 3 344.503 2.385 10 0 EEAEHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)CC1 ZINC000175766929 464620097 /nfs/dbraw/zinc/62/00/97/464620097.db2.gz BYAOWVVHNQQJGQ-LJQANCHMSA-N 1 3 348.535 2.400 10 0 EEAEHO CCN1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000248393933 464746773 /nfs/dbraw/zinc/74/67/73/464746773.db2.gz XLKNAFNTNFPRSW-CABCVRRESA-N 1 3 347.459 2.122 10 0 EEAEHO CC[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000248393933 464746780 /nfs/dbraw/zinc/74/67/80/464746780.db2.gz XLKNAFNTNFPRSW-CABCVRRESA-N 1 3 347.459 2.122 10 0 EEAEHO CC[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000248393933 464746790 /nfs/dbraw/zinc/74/67/90/464746790.db2.gz XLKNAFNTNFPRSW-CABCVRRESA-N 1 3 347.459 2.122 10 0 EEAEHO CCN(CCC[NH+](C)C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000276091601 464805985 /nfs/dbraw/zinc/80/59/85/464805985.db2.gz KJADAANUTQIMKQ-GOSISDBHSA-N 1 3 334.508 2.143 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cccc(OC)n2)[C@H](C)C1 ZINC000361925643 466413498 /nfs/dbraw/zinc/41/34/98/466413498.db2.gz ITUVEJWOAXEOCP-SJLPKXTDSA-N 1 3 335.492 2.359 10 0 EEAEHO CCOCCC[N@H+]1CC[C@@H](NCCc2cccc(OC)n2)[C@H](C)C1 ZINC000361925643 466413504 /nfs/dbraw/zinc/41/35/04/466413504.db2.gz ITUVEJWOAXEOCP-SJLPKXTDSA-N 1 3 335.492 2.359 10 0 EEAEHO CC(C)C[C@H](N[C@@H]1CCc2cc(F)ccc21)C(=O)NCC[NH+](C)C ZINC000347226145 466492355 /nfs/dbraw/zinc/49/23/55/466492355.db2.gz MEYBUZSSQWTGQC-MSOLQXFVSA-N 1 3 335.467 2.495 10 0 EEAEHO O=C(Nc1ccc2c(c1F)CCNC2)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000415954962 466717490 /nfs/dbraw/zinc/71/74/90/466717490.db2.gz LJUZBUCWUKTRDB-UONOGXRCSA-N 1 3 332.423 2.220 10 0 EEAEHO O=C(Nc1ccc2c(c1F)CCNC2)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000415954962 466717494 /nfs/dbraw/zinc/71/74/94/466717494.db2.gz LJUZBUCWUKTRDB-UONOGXRCSA-N 1 3 332.423 2.220 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418005219 467019148 /nfs/dbraw/zinc/01/91/48/467019148.db2.gz DFYXXNKBJBLCEL-MNEFBYGVSA-N 1 3 342.487 2.043 10 0 EEAEHO C[NH2+][C@H]1CCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)C1 ZINC000418050176 467034513 /nfs/dbraw/zinc/03/45/13/467034513.db2.gz ZZJHNOJNGHJYTR-HKUYNNGSSA-N 1 3 330.476 2.044 10 0 EEAEHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000418429779 467109145 /nfs/dbraw/zinc/10/91/45/467109145.db2.gz OAGRLMLWUOKNRE-FUHWJXTLSA-N 1 3 330.476 2.060 10 0 EEAEHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000418429779 467109147 /nfs/dbraw/zinc/10/91/47/467109147.db2.gz OAGRLMLWUOKNRE-FUHWJXTLSA-N 1 3 330.476 2.060 10 0 EEAEHO CCCN1CCN(c2ccccc2CN[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414942469 467454679 /nfs/dbraw/zinc/45/46/79/467454679.db2.gz DNTFGFKZSJWKQT-HKUYNNGSSA-N 1 3 330.520 2.449 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000567821010 468216604 /nfs/dbraw/zinc/21/66/04/468216604.db2.gz TUFYKPJAWQQAQH-IBGZPJMESA-N 1 3 340.471 2.117 10 0 EEAEHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000583554673 468714537 /nfs/dbraw/zinc/71/45/37/468714537.db2.gz GAARQXCJCQGUEC-WMZOPIPTSA-N 1 3 344.503 2.338 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)NCCC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000572036167 468876332 /nfs/dbraw/zinc/87/63/32/468876332.db2.gz IPIMMYQTFCWPSW-SFHVURJKSA-N 1 3 344.503 2.091 10 0 EEAEHO c1c[nH]c([C@H](NC2CCC([NH+]3CCNCC3)CC2)c2ccccc2)n1 ZINC000572112119 468887070 /nfs/dbraw/zinc/88/70/70/468887070.db2.gz FVJCVQOAXAUPPX-CTWPCTMYSA-N 1 3 339.487 2.305 10 0 EEAEHO c1c[nH]c([C@H](NC2CCC(N3CC[NH2+]CC3)CC2)c2ccccc2)n1 ZINC000572112119 468887073 /nfs/dbraw/zinc/88/70/73/468887073.db2.gz FVJCVQOAXAUPPX-CTWPCTMYSA-N 1 3 339.487 2.305 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000572494987 468941892 /nfs/dbraw/zinc/94/18/92/468941892.db2.gz BUUJGFMAVJJTOO-MSOLQXFVSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000572494987 468941896 /nfs/dbraw/zinc/94/18/96/468941896.db2.gz BUUJGFMAVJJTOO-MSOLQXFVSA-N 1 3 329.488 2.451 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H]3C(F)(F)F)CC2)CC1 ZINC000615030893 469124529 /nfs/dbraw/zinc/12/45/29/469124529.db2.gz SBBYTNBNTFZUHF-OAHLLOKOSA-N 1 3 347.425 2.346 10 0 EEAEHO CC[C@H](CNC(=O)N[C@@H]1CCCN(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000618555436 469388324 /nfs/dbraw/zinc/38/83/24/469388324.db2.gz XRLGZWMINHZYFO-RTBURBONSA-N 1 3 344.503 2.217 10 0 EEAEHO CC[C@H](CNC(=O)N[C@@H]1CCCN(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000618555436 469388331 /nfs/dbraw/zinc/38/83/31/469388331.db2.gz XRLGZWMINHZYFO-RTBURBONSA-N 1 3 344.503 2.217 10 0 EEAEHO C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000618991180 469491653 /nfs/dbraw/zinc/49/16/53/469491653.db2.gz VEAISOIFHFRYOZ-KRWDZBQOSA-N 1 3 347.503 2.477 10 0 EEAEHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612967023 469593556 /nfs/dbraw/zinc/59/35/56/469593556.db2.gz WIIQKEGYBHACQR-QGZVFWFLSA-N 1 3 348.466 2.041 10 0 EEAEHO CN1CCN(C[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc2)CC1 ZINC000623398674 469642319 /nfs/dbraw/zinc/64/23/19/469642319.db2.gz MHWCMHAIPWCLRY-PMACEKPBSA-N 1 3 344.547 2.438 10 0 EEAEHO CN1CCN(C[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)c2ccccc2)CC1 ZINC000623398674 469642322 /nfs/dbraw/zinc/64/23/22/469642322.db2.gz MHWCMHAIPWCLRY-PMACEKPBSA-N 1 3 344.547 2.438 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC000617502335 469699203 /nfs/dbraw/zinc/69/92/03/469699203.db2.gz LXZUPPXEMPEZSN-WDYCEAGBSA-N 1 3 335.467 2.260 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC000617502335 469699208 /nfs/dbraw/zinc/69/92/08/469699208.db2.gz LXZUPPXEMPEZSN-WDYCEAGBSA-N 1 3 335.467 2.260 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1c[nH]c2ccccc12 ZINC000617503790 469700986 /nfs/dbraw/zinc/70/09/86/469700986.db2.gz ZKRKXVBPFVRDQA-HNNXBMFYSA-N 1 3 330.476 2.099 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1c[nH]c2ccccc12 ZINC000617503790 469700990 /nfs/dbraw/zinc/70/09/90/469700990.db2.gz ZKRKXVBPFVRDQA-HNNXBMFYSA-N 1 3 330.476 2.099 10 0 EEAEHO COc1ccc(Cl)cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503340 469701984 /nfs/dbraw/zinc/70/19/84/469701984.db2.gz FMGQHNOBPZOYPO-ZDUSSCGKSA-N 1 3 341.883 2.350 10 0 EEAEHO COc1ccc(Cl)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503340 469701989 /nfs/dbraw/zinc/70/19/89/469701989.db2.gz FMGQHNOBPZOYPO-ZDUSSCGKSA-N 1 3 341.883 2.350 10 0 EEAEHO CC(C)[C@H]1C[C@@H](CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000617506691 469705550 /nfs/dbraw/zinc/70/55/50/469705550.db2.gz WGEJVGQFSZMRBG-OKZBNKHCSA-N 1 3 341.540 2.216 10 0 EEAEHO CC(C)[C@H]1C[C@@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000617506691 469705555 /nfs/dbraw/zinc/70/55/55/469705555.db2.gz WGEJVGQFSZMRBG-OKZBNKHCSA-N 1 3 341.540 2.216 10 0 EEAEHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccco1 ZINC000627034355 469797075 /nfs/dbraw/zinc/79/70/75/469797075.db2.gz FZDICMIQGHFAOS-LZWOXQAQSA-N 1 3 334.464 2.293 10 0 EEAEHO COCCN1CC[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000631196823 470090474 /nfs/dbraw/zinc/09/04/74/470090474.db2.gz VOIPLQDOEVBHTH-HOJAQTOUSA-N 1 3 331.504 2.065 10 0 EEAEHO COCCN1CC[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000631196823 470090478 /nfs/dbraw/zinc/09/04/78/470090478.db2.gz VOIPLQDOEVBHTH-HOJAQTOUSA-N 1 3 331.504 2.065 10 0 EEAEHO COCCN1CC[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000631196823 470090482 /nfs/dbraw/zinc/09/04/82/470090482.db2.gz VOIPLQDOEVBHTH-HOJAQTOUSA-N 1 3 331.504 2.065 10 0 EEAEHO C[C@](O)(C[C@@H](O)CNCc1ccccc1C[NH+]1CCCC1)C1CC1 ZINC000634698096 470280732 /nfs/dbraw/zinc/28/07/32/470280732.db2.gz AFSBHGMZZALZLB-UXHICEINSA-N 1 3 332.488 2.284 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC[N@H+]1C ZINC000633096124 470349272 /nfs/dbraw/zinc/34/92/72/470349272.db2.gz BBLUOULDZUMEBE-QXCFHYIPSA-N 1 3 329.488 2.496 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC[N@@H+]1C ZINC000633096124 470349264 /nfs/dbraw/zinc/34/92/64/470349264.db2.gz BBLUOULDZUMEBE-QXCFHYIPSA-N 1 3 329.488 2.496 10 0 EEAEHO C[C@H]1OCC[C@@H]1N(CCO)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648813447 470355456 /nfs/dbraw/zinc/35/54/56/470355456.db2.gz BEYXLVSAHPLECP-XLIONFOSSA-N 1 3 348.487 2.133 10 0 EEAEHO C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000645951167 470473001 /nfs/dbraw/zinc/47/30/01/470473001.db2.gz DVZZYHLBBBRQFP-HOTGVXAUSA-N 1 3 332.492 2.405 10 0 EEAEHO CCCN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CCN(C)C1 ZINC000645198246 471172563 /nfs/dbraw/zinc/17/25/63/471172563.db2.gz PIQDGRFEMARAQN-RBUKOAKNSA-N 1 3 346.519 2.285 10 0 EEAEHO Cc1cn2c(CN[C@@H](C)CN(C)CCC[NH+](C)C)c(C)nc2s1 ZINC000657572743 471172847 /nfs/dbraw/zinc/17/28/47/471172847.db2.gz DGOGZYOTKQUAJJ-ZDUSSCGKSA-N 1 3 337.537 2.374 10 0 EEAEHO FCC1(CF)CC([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000657863438 471242424 /nfs/dbraw/zinc/24/24/24/471242424.db2.gz ITZXZOMYVVPFEW-UHFFFAOYSA-N 1 3 338.446 2.271 10 0 EEAEHO CCN(C(=O)NCCC1(C[NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000652237669 471260403 /nfs/dbraw/zinc/26/04/03/471260403.db2.gz YTLCOHCFPILFHY-SFHVURJKSA-N 1 3 344.503 2.421 10 0 EEAEHO C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1cc2n(n1)CCC2 ZINC000658070084 471264213 /nfs/dbraw/zinc/26/42/13/471264213.db2.gz KXMKSVXNGQVNAA-HNNXBMFYSA-N 1 3 332.492 2.371 10 0 EEAEHO O=C1CC[C@@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)N1 ZINC000658257953 471281018 /nfs/dbraw/zinc/28/10/18/471281018.db2.gz UXESCRKNIDTKFI-OKYOBFRVSA-N 1 3 327.472 2.298 10 0 EEAEHO O=C1CC[C@@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)N1 ZINC000658257953 471281019 /nfs/dbraw/zinc/28/10/19/471281019.db2.gz UXESCRKNIDTKFI-OKYOBFRVSA-N 1 3 327.472 2.298 10 0 EEAEHO CC(C)C[N@H+](C)CCCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000652611664 471314423 /nfs/dbraw/zinc/31/44/23/471314423.db2.gz RNVAUBFFQZFYJV-UHFFFAOYSA-N 1 3 334.464 2.268 10 0 EEAEHO CC(C)C[N@@H+](C)CCCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000652611664 471314425 /nfs/dbraw/zinc/31/44/25/471314425.db2.gz RNVAUBFFQZFYJV-UHFFFAOYSA-N 1 3 334.464 2.268 10 0 EEAEHO C[C@H]1CC[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CS1 ZINC000655710140 471450632 /nfs/dbraw/zinc/45/06/32/471450632.db2.gz CRVZHOVPMHATDG-DLBZAZTESA-N 1 3 334.533 2.467 10 0 EEAEHO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659033113 471476981 /nfs/dbraw/zinc/47/69/81/471476981.db2.gz IARHKSGVGGGORI-SFHVURJKSA-N 1 3 346.475 2.342 10 0 EEAEHO CN(CC[NH+]1CCCCC1)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659039652 471483028 /nfs/dbraw/zinc/48/30/28/471483028.db2.gz IMPBUUVKMAZSDE-SFHVURJKSA-N 1 3 346.475 2.297 10 0 EEAEHO [NH3+]C[C@@H](C(=O)Nc1ccc([C@H]2CNCCO2)cc1)c1ccccc1 ZINC000659368924 471595622 /nfs/dbraw/zinc/59/56/22/471595622.db2.gz QEWQAMJXEQIONL-QZTJIDSGSA-N 1 3 325.412 2.029 10 0 EEAEHO CC[C@H](CNC(=O)NCC[C@@H]([NH3+])C(C)C)N1CCc2ccccc2C1 ZINC000659433402 471625817 /nfs/dbraw/zinc/62/58/17/471625817.db2.gz DAXNURQMLGHIRE-RTBURBONSA-N 1 3 346.519 2.496 10 0 EEAEHO C[C@@]1(CNC(=O)N2CC3CC2(C[NH3+])C3)CCCN1Cc1ccccc1 ZINC000659483641 471650664 /nfs/dbraw/zinc/65/06/64/471650664.db2.gz CJCAWCFUPGEKKV-SYYJFZTOSA-N 1 3 342.487 2.174 10 0 EEAEHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2F)CC2CC2)C1 ZINC000656792742 471843132 /nfs/dbraw/zinc/84/31/32/471843132.db2.gz XEJVSBXLRGBHMS-INIZCTEOSA-N 1 3 333.451 2.235 10 0 EEAEHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2F)CC2CC2)C1 ZINC000656792742 471843137 /nfs/dbraw/zinc/84/31/37/471843137.db2.gz XEJVSBXLRGBHMS-INIZCTEOSA-N 1 3 333.451 2.235 10 0 EEAEHO C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654307811 471903261 /nfs/dbraw/zinc/90/32/61/471903261.db2.gz KJGSELIHZMNFSJ-MSOLQXFVSA-N 1 3 345.487 2.374 10 0 EEAEHO CS(=O)(=O)CC1(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000665234860 471976399 /nfs/dbraw/zinc/97/63/99/471976399.db2.gz KZZGTZCMWGHLSR-HRCADAONSA-N 1 3 328.522 2.102 10 0 EEAEHO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]C2CCN(C3CC3)CC2)cc1F ZINC000665259330 471982515 /nfs/dbraw/zinc/98/25/15/471982515.db2.gz BXZIBXFVNTVCQK-HKUYNNGSSA-N 1 3 347.478 2.496 10 0 EEAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000665294503 471993735 /nfs/dbraw/zinc/99/37/35/471993735.db2.gz PZSWCKJINNTYIL-UHFFFAOYSA-N 1 3 349.523 2.410 10 0 EEAEHO c1ccc2c(c1)CCN2CC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662260791 472047882 /nfs/dbraw/zinc/04/78/82/472047882.db2.gz QFXAZYKYQNOWRL-IBGZPJMESA-N 1 3 341.499 2.282 10 0 EEAEHO C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662452890 472113759 /nfs/dbraw/zinc/11/37/59/472113759.db2.gz QKKPSWMQRMGNEU-KBPBESRZSA-N 1 3 334.464 2.134 10 0 EEAEHO CCC[NH+]1CCN(c2ccccc2CN(C)C[C@@H]2COCCO2)CC1 ZINC000668545154 472169269 /nfs/dbraw/zinc/16/92/69/472169269.db2.gz MZEOIVSCRSFBIF-LJQANCHMSA-N 1 3 347.503 2.066 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C)C(C)(C)C1 ZINC000665760961 472176261 /nfs/dbraw/zinc/17/62/61/472176261.db2.gz TUVSLPICEDXYJQ-HOTGVXAUSA-N 1 3 326.529 2.336 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C)C(C)(C)C1 ZINC000665760961 472176269 /nfs/dbraw/zinc/17/62/69/472176269.db2.gz TUVSLPICEDXYJQ-HOTGVXAUSA-N 1 3 326.529 2.336 10 0 EEAEHO C[C@@H]1CN(CCCCNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000662689762 472208500 /nfs/dbraw/zinc/20/85/00/472208500.db2.gz XLJGCGFBMLXYGF-FCEWJHQRSA-N 1 3 345.487 2.227 10 0 EEAEHO O=C(N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C1([NH2+]C2CC2)CCC1 ZINC000662818936 472265796 /nfs/dbraw/zinc/26/57/96/472265796.db2.gz GCASERCIBUMACJ-PKOBYXMFSA-N 1 3 339.483 2.394 10 0 EEAEHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000662871653 472285477 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CC(C)COCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267112858 1178270320 /nfs/dbraw/zinc/27/03/20/1178270320.db2.gz ADKCRBQDSWXVPK-ROUUACIJSA-N 1 3 341.540 2.168 10 0 EEAEHO CC(C)COCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267112858 1178270323 /nfs/dbraw/zinc/27/03/23/1178270323.db2.gz ADKCRBQDSWXVPK-ROUUACIJSA-N 1 3 341.540 2.168 10 0 EEAEHO Cc1ncc(CN(CCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)C)o1 ZINC001267500892 1179192125 /nfs/dbraw/zinc/19/21/25/1179192125.db2.gz FSWWHKHVRGWHOC-GOSISDBHSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1ccccc1CN1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001481630475 1181946790 /nfs/dbraw/zinc/94/67/90/1181946790.db2.gz KAONROALNFTFSG-IBGZPJMESA-N 1 3 329.488 2.417 10 0 EEAEHO Cc1ccccc1CN1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001481630475 1181946793 /nfs/dbraw/zinc/94/67/93/1181946793.db2.gz KAONROALNFTFSG-IBGZPJMESA-N 1 3 329.488 2.417 10 0 EEAEHO CCCCOCCN1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001481773866 1182684670 /nfs/dbraw/zinc/68/46/70/1182684670.db2.gz DZNIADQPXAVZRU-GOSISDBHSA-N 1 3 339.524 2.068 10 0 EEAEHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1ccc(Cl)nc1 ZINC001481867500 1182837809 /nfs/dbraw/zinc/83/78/09/1182837809.db2.gz CLJIRJKWJMUGBY-ZFWWWQNUSA-N 1 3 338.883 2.061 10 0 EEAEHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1ccc(Cl)nc1 ZINC001481867500 1182837818 /nfs/dbraw/zinc/83/78/18/1182837818.db2.gz CLJIRJKWJMUGBY-ZFWWWQNUSA-N 1 3 338.883 2.061 10 0 EEAEHO Cc1nocc1C[NH2+]CC[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001481975903 1183071648 /nfs/dbraw/zinc/07/16/48/1183071648.db2.gz BREJHUWMCZNNPS-MRXNPFEDSA-N 1 3 348.491 2.186 10 0 EEAEHO CC(C)[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccccn2)C1)N(C)C ZINC001481989221 1183095627 /nfs/dbraw/zinc/09/56/27/1183095627.db2.gz XMUQWWLGFMQHLC-HKUYNNGSSA-N 1 3 346.519 2.386 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC/C=C\CNCc2cccc(Cl)c2)CC[N@@H+]1C ZINC001268540861 1183208497 /nfs/dbraw/zinc/20/84/97/1183208497.db2.gz ATVZNMHFZDWLIJ-SWTGODCJSA-N 1 3 335.879 2.442 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC/C=C\CNCc2cccc(Cl)c2)CC[N@H+]1C ZINC001268540861 1183208503 /nfs/dbraw/zinc/20/85/03/1183208503.db2.gz ATVZNMHFZDWLIJ-SWTGODCJSA-N 1 3 335.879 2.442 10 0 EEAEHO COc1cccc([C@@H](C)[NH2+]C/C=C/CNC(=O)[C@H]2CCCN2C)c1 ZINC001268576968 1183324568 /nfs/dbraw/zinc/32/45/68/1183324568.db2.gz XUEHSLLJVOPYJD-CHABLROBSA-N 1 3 331.460 2.112 10 0 EEAEHO C[NH+]1CCC(C(=O)NC/C=C\CN[C@H]2CCc3c2cccc3F)CC1 ZINC001268587744 1183386352 /nfs/dbraw/zinc/38/63/52/1183386352.db2.gz KYDBREHNRFRPJL-AXMVSILFSA-N 1 3 345.462 2.417 10 0 EEAEHO COc1cccc(C[NH2+]C/C=C\CNC(=O)CN2CCC(C)CC2)c1 ZINC001268609084 1183517721 /nfs/dbraw/zinc/51/77/21/1183517721.db2.gz PGXBIRWWCLQEFF-ARJAWSKDSA-N 1 3 345.487 2.189 10 0 EEAEHO CC[C@H](C(=O)NC/C=C/C[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C ZINC001268617095 1183533560 /nfs/dbraw/zinc/53/35/60/1183533560.db2.gz MIGPJXWNEPCNAQ-HQYUYXFKSA-N 1 3 333.451 2.415 10 0 EEAEHO CC(C)[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1ccccc1F ZINC001482554560 1186716686 /nfs/dbraw/zinc/71/66/86/1186716686.db2.gz VLWFEMFYZAZMMH-APWZRJJASA-N 1 3 349.494 2.440 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(Cl)n1)N(C)C ZINC001482875612 1187794759 /nfs/dbraw/zinc/79/47/59/1187794759.db2.gz WNUGITSWVPEOCH-JSGCOSHPSA-N 1 3 326.872 2.060 10 0 EEAEHO CN(C)Cc1cccc(C(=O)N(C)CC[NH2+]CCc2ccns2)c1 ZINC001691619650 1188320314 /nfs/dbraw/zinc/32/03/14/1188320314.db2.gz VPVYTWSLGCRSOT-UHFFFAOYSA-N 1 3 346.500 2.109 10 0 EEAEHO C[C@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)C1(N(C)C)CCC1 ZINC001272828776 1193566550 /nfs/dbraw/zinc/56/65/50/1193566550.db2.gz DAJVMWWJBFCZSC-CYBMUJFWSA-N 1 3 338.883 2.204 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1cc(C)ccc1OC ZINC001483232594 1189612380 /nfs/dbraw/zinc/61/23/80/1189612380.db2.gz DWVRXVUAYLCJPE-WMZOPIPTSA-N 1 3 347.503 2.472 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1cc(C)ccc1OC ZINC001483232594 1189612382 /nfs/dbraw/zinc/61/23/82/1189612382.db2.gz DWVRXVUAYLCJPE-WMZOPIPTSA-N 1 3 347.503 2.472 10 0 EEAEHO COc1ccc(C)cc1CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001486085357 1193677311 /nfs/dbraw/zinc/67/73/11/1193677311.db2.gz QSFUTJDUEQHGAW-WBVHZDCISA-N 1 3 333.476 2.034 10 0 EEAEHO Cc1oncc1CNC[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001483591566 1190574773 /nfs/dbraw/zinc/57/47/73/1190574773.db2.gz FKEOMQGOLVJYOG-KSSFIOAISA-N 1 3 348.491 2.232 10 0 EEAEHO COc1cccc([C@@H](C)[NH2+]C2(CNC(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC001483767179 1191000601 /nfs/dbraw/zinc/00/06/01/1191000601.db2.gz CHJSRKKFSRTTGE-HZPDHXFCSA-N 1 3 345.487 2.336 10 0 EEAEHO C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001483767988 1191001865 /nfs/dbraw/zinc/00/18/65/1191001865.db2.gz SWKAMLKYRGWAGQ-DYVFJYSZSA-N 1 3 331.451 2.185 10 0 EEAEHO Cc1ccc(OCC[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1 ZINC001483925137 1191118547 /nfs/dbraw/zinc/11/85/47/1191118547.db2.gz OIXXXWFYHDWSQB-MJGOQNOKSA-N 1 3 345.487 2.049 10 0 EEAEHO CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001484093892 1191207703 /nfs/dbraw/zinc/20/77/03/1191207703.db2.gz LRPOUCWGUPAQFT-LJQANCHMSA-N 1 3 339.524 2.116 10 0 EEAEHO CC[C@H](F)CNCCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001484401124 1191335277 /nfs/dbraw/zinc/33/52/77/1191335277.db2.gz GHODNIXWOMAUEW-MSOLQXFVSA-N 1 3 335.467 2.305 10 0 EEAEHO CC[C@H](F)CNCCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001484401124 1191335279 /nfs/dbraw/zinc/33/52/79/1191335279.db2.gz GHODNIXWOMAUEW-MSOLQXFVSA-N 1 3 335.467 2.305 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC001484928037 1191574119 /nfs/dbraw/zinc/57/41/19/1191574119.db2.gz DITPLCWFXFHQEE-KRWDZBQOSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1nocc1CNCC1CC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001485110381 1191657645 /nfs/dbraw/zinc/65/76/45/1191657645.db2.gz HIPWVZHAOAPQQG-VJFUWPCTSA-N 1 3 348.491 2.088 10 0 EEAEHO CC(C)CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001485442006 1191786387 /nfs/dbraw/zinc/78/63/87/1191786387.db2.gz CCSQSMUQVNDTER-GOSISDBHSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ncccc1CN1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001485482902 1191799620 /nfs/dbraw/zinc/79/96/20/1191799620.db2.gz SSASJOVSVAWNRP-SFHVURJKSA-N 1 3 332.492 2.203 10 0 EEAEHO Cc1cccnc1CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001410443054 1197909799 /nfs/dbraw/zinc/90/97/99/1197909799.db2.gz CXUOOHSEFOSBOS-IKGGRYGDSA-N 1 3 332.492 2.057 10 0 EEAEHO Cc1cccnc1CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001410443054 1197909805 /nfs/dbraw/zinc/90/98/05/1197909805.db2.gz CXUOOHSEFOSBOS-IKGGRYGDSA-N 1 3 332.492 2.057 10 0 EEAEHO CC(C)Cc1ccc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866708146 1201585954 /nfs/dbraw/zinc/58/59/54/1201585954.db2.gz DBDDKNHRFHTWNJ-OTWHNJEPSA-N 1 3 343.471 2.252 10 0 EEAEHO O=C(NC/C=C/CNCCC(F)(F)F)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001274431384 1205034027 /nfs/dbraw/zinc/03/40/27/1205034027.db2.gz ZBFSBSWQSYGTIC-FAVCQXFFSA-N 1 3 333.398 2.218 10 0 EEAEHO O=C(NC/C=C/CNCCC(F)(F)F)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001274431384 1205034031 /nfs/dbraw/zinc/03/40/31/1205034031.db2.gz ZBFSBSWQSYGTIC-FAVCQXFFSA-N 1 3 333.398 2.218 10 0 EEAEHO CCn1nc(C)c([C@@H](C)NCC2([NH+]3CCCCC3)CCN(C)CC2)n1 ZINC000925155061 1206077425 /nfs/dbraw/zinc/07/74/25/1206077425.db2.gz KHVMCLZFROUCFL-MRXNPFEDSA-N 1 3 348.539 2.207 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC000928446735 1206385139 /nfs/dbraw/zinc/38/51/39/1206385139.db2.gz YJNZSBZNAWYMMZ-HFTRVMKXSA-N 1 3 333.451 2.247 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@H+]1C ZINC000928446735 1206385140 /nfs/dbraw/zinc/38/51/40/1206385140.db2.gz YJNZSBZNAWYMMZ-HFTRVMKXSA-N 1 3 333.451 2.247 10 0 EEAEHO COc1ncc(CN2CCC(O)(C[NH+](C)C)CC2)c2ccccc21 ZINC000931479987 1207392936 /nfs/dbraw/zinc/39/29/36/1207392936.db2.gz IPDFYNHOJOCTGH-UHFFFAOYSA-N 1 3 329.444 2.132 10 0 EEAEHO NC(=O)CC1CC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000718560252 1212461708 /nfs/dbraw/zinc/46/17/08/1212461708.db2.gz RNOVTVANDBSFGC-ZBABMDLNSA-N 1 3 327.472 2.283 10 0 EEAEHO CCN1CCN(CCC[NH2+][C@@H](CC(C)C)C2CCOCC2)CC1 ZINC000902745626 1238382470 /nfs/dbraw/zinc/38/24/70/1238382470.db2.gz RSKIREAHGNBIRQ-IBGZPJMESA-N 1 3 325.541 2.445 10 0 EEAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CCO[C@]34CCOC4)C2)cc1 ZINC000903088706 1239701921 /nfs/dbraw/zinc/70/19/21/1239701921.db2.gz LZHVDRYBVRKJSN-AQNXPRMDSA-N 1 3 330.472 2.089 10 0 EEAEHO Cc1cc(N2CCCC2)ccc1NC(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496726 1240674174 /nfs/dbraw/zinc/67/41/74/1240674174.db2.gz AFFYIAZWOMTSKW-IAGOWNOFSA-N 1 3 344.503 2.450 10 0 EEAEHO COc1ccc(C[C@H](C)NC[C@@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000903958230 1242724017 /nfs/dbraw/zinc/72/40/17/1242724017.db2.gz XJXAPRUKJCGCAL-JSGCOSHPSA-N 1 3 328.403 2.469 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN(Cc2ccccn2)CC(C)C)cnn1C ZINC000903988242 1242888673 /nfs/dbraw/zinc/88/86/73/1242888673.db2.gz PNCVUUZAEKAHGN-QGZVFWFLSA-N 1 3 329.492 2.399 10 0 EEAEHO CC[C@H](F)C[NH2+]C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001491181881 1258746914 /nfs/dbraw/zinc/74/69/14/1258746914.db2.gz RUYRXVXAPLBONR-IRXDYDNUSA-N 1 3 327.488 2.295 10 0 EEAEHO CN(CC(=O)NC1CCC([NH2+]Cc2cncs2)CC1)C1CCC1 ZINC001491351469 1258992804 /nfs/dbraw/zinc/99/28/04/1258992804.db2.gz GVGSYRURJDEQAF-UHFFFAOYSA-N 1 3 336.505 2.144 10 0 EEAEHO CCc1ccc(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000863549899 1296329627 /nfs/dbraw/zinc/32/96/27/1296329627.db2.gz TUFMUGLJJJNVIB-MSOLQXFVSA-N 1 3 329.444 2.006 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001277092536 1301235877 /nfs/dbraw/zinc/23/58/77/1301235877.db2.gz GCIWMLJYWZSMGJ-SHTZXODSSA-N 1 3 338.883 2.060 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)CCCN[C@H](C)c1cnccn1)[NH+]1CCCC1 ZINC001276404631 1315592214 /nfs/dbraw/zinc/59/22/14/1315592214.db2.gz KDRRPJZFWXZEQY-AEFFLSMTSA-N 1 3 347.507 2.096 10 0 EEAEHO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCC(C)(C)C)N1CCCCCC1 ZINC001278817711 1318200739 /nfs/dbraw/zinc/20/07/39/1318200739.db2.gz TVVFSPSAMPMVEP-IAGOWNOFSA-N 1 3 341.540 2.096 10 0 EEAEHO CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCOC2CCC2)C1)N(C)C ZINC001264126154 1322635775 /nfs/dbraw/zinc/63/57/75/1322635775.db2.gz RRZFWCSKHZIFRB-FUHWJXTLSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H]1CCN(CCCCCF)C1)[NH+]1CCCC1 ZINC001265319713 1323067873 /nfs/dbraw/zinc/06/78/73/1323067873.db2.gz QEQGCFZQSBPOHQ-DLBZAZTESA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@@H]1C[C@H]([NH2+]CCCOc2ccccc2)CN1C(=O)Cc1c[nH]cn1 ZINC001284015061 1326363610 /nfs/dbraw/zinc/36/36/10/1326363610.db2.gz RIZLXUNUWBTUGQ-WBVHZDCISA-N 1 3 342.443 2.000 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1=CCN(CCOC(C)C)CC1 ZINC001284921620 1326776749 /nfs/dbraw/zinc/77/67/49/1326776749.db2.gz VYBTXXXROSXDKY-GOSISDBHSA-N 1 3 337.508 2.034 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1=CCN(CCOC(C)C)CC1 ZINC001284921620 1326776752 /nfs/dbraw/zinc/77/67/52/1326776752.db2.gz VYBTXXXROSXDKY-GOSISDBHSA-N 1 3 337.508 2.034 10 0 EEAEHO O=C(N[C@@H]1CCC[C@H](NC/C(Cl)=C\Cl)C1)C12CC[NH+](CC1)C2 ZINC001491891011 1330291587 /nfs/dbraw/zinc/29/15/87/1330291587.db2.gz HNZDSADDWQTGTN-UYEGUDHTSA-N 1 3 346.302 2.418 10 0 EEAEHO Cc1ccccc1OCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001317239664 1332148491 /nfs/dbraw/zinc/14/84/91/1332148491.db2.gz CYVLCLPCUIUQMV-ROUUACIJSA-N 1 3 347.503 2.341 10 0 EEAEHO COCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001317985200 1332457480 /nfs/dbraw/zinc/45/74/80/1332457480.db2.gz QQNWHCMOVLIPLX-ROUUACIJSA-N 1 3 339.524 2.258 10 0 EEAEHO COCCCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001317985200 1332457481 /nfs/dbraw/zinc/45/74/81/1332457481.db2.gz QQNWHCMOVLIPLX-ROUUACIJSA-N 1 3 339.524 2.258 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+]C[C@H]2CCCCO2)CC1 ZINC001318936760 1332626202 /nfs/dbraw/zinc/62/62/02/1332626202.db2.gz BVTSBRDYMSUKLZ-GOSISDBHSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cccnc1C[NH2+]CCC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001318938347 1332626662 /nfs/dbraw/zinc/62/66/62/1332626662.db2.gz SQHDSLJFLZZGPM-UHFFFAOYSA-N 1 3 346.519 2.449 10 0 EEAEHO Cc1ncccc1C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001319735501 1332753865 /nfs/dbraw/zinc/75/38/65/1332753865.db2.gz GDUMWEMWGCJPEB-OALUTQOASA-N 1 3 344.503 2.345 10 0 EEAEHO C[C@@H](NC/C=C\CNC(=O)C12CC[NH+](CC1)C2)c1ccc(F)cc1 ZINC001321338356 1333078071 /nfs/dbraw/zinc/07/80/71/1333078071.db2.gz RGPCNLAZDSQCBU-MPNWYJEXSA-N 1 3 331.435 2.245 10 0 EEAEHO CC(C)OCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001322335941 1333249454 /nfs/dbraw/zinc/24/94/54/1333249454.db2.gz HGVQRNVGGLQBBB-IAGOWNOFSA-N 1 3 339.524 2.160 10 0 EEAEHO CCOCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001324555879 1333707992 /nfs/dbraw/zinc/70/79/92/1333707992.db2.gz CBRCOXWTIVSGRP-PKOBYXMFSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001324555879 1333707994 /nfs/dbraw/zinc/70/79/94/1333707994.db2.gz CBRCOXWTIVSGRP-PKOBYXMFSA-N 1 3 339.524 2.068 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCF)C1 ZINC001324796907 1333761773 /nfs/dbraw/zinc/76/17/73/1333761773.db2.gz DQTIXZCQWYZKTD-SJLPKXTDSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@@H]([NH2+]CCCCCF)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001325410536 1333881055 /nfs/dbraw/zinc/88/10/55/1333881055.db2.gz SEVQDIOSRWZKOT-HZPDHXFCSA-N 1 3 327.488 2.437 10 0 EEAEHO Cc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001326433794 1334093299 /nfs/dbraw/zinc/09/32/99/1334093299.db2.gz YVRVPAZZWPHXAY-LJQANCHMSA-N 1 3 329.488 2.419 10 0 EEAEHO CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CCO1 ZINC001327034619 1334208384 /nfs/dbraw/zinc/20/83/84/1334208384.db2.gz MIMKANGWYVWCRX-ZWKOTPCHSA-N 1 3 339.524 2.258 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001328650908 1334494266 /nfs/dbraw/zinc/49/42/66/1334494266.db2.gz JITNCMNAJGWHCT-KRWDZBQOSA-N 1 3 344.434 2.305 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NCc1ccc(Cl)nc1)[NH+](C)C ZINC001331614389 1335045818 /nfs/dbraw/zinc/04/58/18/1335045818.db2.gz XACMXACFPKQSLH-CJNGLKHVSA-N 1 3 340.899 2.258 10 0 EEAEHO COCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C(C)(C)C ZINC001332793217 1335908247 /nfs/dbraw/zinc/90/82/47/1335908247.db2.gz VWXZADQTJKPKPB-HOTGVXAUSA-N 1 3 327.513 2.016 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CCC(F)(F)F)C(C)(C)C ZINC001332901419 1335927689 /nfs/dbraw/zinc/92/76/89/1335927689.db2.gz YYECPDXLEQBVDZ-GFCCVEGCSA-N 1 3 325.419 2.400 10 0 EEAEHO CCN(CCNCc1sc(C)nc1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001668614304 1355972999 /nfs/dbraw/zinc/97/29/99/1355972999.db2.gz SMFKRMKWVKGBNU-HNNXBMFYSA-N 1 3 338.521 2.040 10 0 EEAEHO CCN(CCNCc1sc(C)nc1C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001668614304 1355973001 /nfs/dbraw/zinc/97/30/01/1355973001.db2.gz SMFKRMKWVKGBNU-HNNXBMFYSA-N 1 3 338.521 2.040 10 0 EEAEHO Cc1ccc(F)c(CN[C@H]2C[C@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001436391044 1342068253 /nfs/dbraw/zinc/06/82/53/1342068253.db2.gz ODLGZTXXGSMJLK-JCNLHEQBSA-N 1 3 335.467 2.460 10 0 EEAEHO C[C@H]([NH2+]CCN(CCO)C(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001501480226 1342190297 /nfs/dbraw/zinc/19/02/97/1342190297.db2.gz ILZRLYIIECCTCP-KRWDZBQOSA-N 1 3 347.503 2.033 10 0 EEAEHO COCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001565828935 1342564608 /nfs/dbraw/zinc/56/46/08/1342564608.db2.gz UOCNFGMAAQAXLV-MSOLQXFVSA-N 1 3 339.524 2.209 10 0 EEAEHO COCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001565828935 1342564624 /nfs/dbraw/zinc/56/46/24/1342564624.db2.gz UOCNFGMAAQAXLV-MSOLQXFVSA-N 1 3 339.524 2.209 10 0 EEAEHO CCOCC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCCC1)C(C)(C)C ZINC001571625173 1343254746 /nfs/dbraw/zinc/25/47/46/1343254746.db2.gz XXNGJMWEMQZHMH-INIZCTEOSA-N 1 3 341.540 2.408 10 0 EEAEHO Cc1noc(C)c1C[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001666263033 1355499001 /nfs/dbraw/zinc/49/90/01/1355499001.db2.gz FAPIEBKCCGLBEW-UHFFFAOYSA-N 1 3 348.491 2.106 10 0 EEAEHO Cc1nc(C)c(CNCC[C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001667306970 1355705410 /nfs/dbraw/zinc/70/54/10/1355705410.db2.gz NGOBDNDDKMTDLJ-DLBZAZTESA-N 1 3 348.491 2.104 10 0 EEAEHO Cc1nc(C)c(CNCC[C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001667306970 1355705414 /nfs/dbraw/zinc/70/54/14/1355705414.db2.gz NGOBDNDDKMTDLJ-DLBZAZTESA-N 1 3 348.491 2.104 10 0 EEAEHO O=C(NC/C=C\CNC/C=C\Cl)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668865548 1356028747 /nfs/dbraw/zinc/02/87/47/1356028747.db2.gz ZVFABVNPJLFELH-JHGAFDPBSA-N 1 3 325.884 2.408 10 0 EEAEHO O=C(NC/C=C\CNC/C=C\Cl)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001668865548 1356028751 /nfs/dbraw/zinc/02/87/51/1356028751.db2.gz ZVFABVNPJLFELH-JHGAFDPBSA-N 1 3 325.884 2.408 10 0 EEAEHO COc1ccc(C)cc1C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001670041830 1356265864 /nfs/dbraw/zinc/26/58/64/1356265864.db2.gz JRTCJGVEKIUVGD-QGZVFWFLSA-N 1 3 333.476 2.036 10 0 EEAEHO CN(CCC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)[C@H]1CCCN1C ZINC001670041873 1356266145 /nfs/dbraw/zinc/26/61/45/1356266145.db2.gz LLEWRRGDNPMMPU-LJQANCHMSA-N 1 3 329.488 2.208 10 0 EEAEHO COCCCCC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001698896909 1405137187 /nfs/dbraw/zinc/13/71/87/1405137187.db2.gz CPBDYDCXQVFGHX-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@@](C)(C[NH2+]CCCCCF)C2)C1 ZINC001699843593 1405522862 /nfs/dbraw/zinc/52/28/62/1405522862.db2.gz AAWVDXYPBNKHCL-WMZOPIPTSA-N 1 3 327.488 2.296 10 0 EEAEHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(N2CCCCC2=O)cc1 ZINC000817894983 785051812 /nfs/dbraw/zinc/05/18/12/785051812.db2.gz PVWZHTDBHGTQBR-QGTPRVQTSA-N 1 3 331.460 2.045 10 0 EEAEHO Cc1cc(F)ccc1[C@H](O)C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000819085173 785395770 /nfs/dbraw/zinc/39/57/70/785395770.db2.gz SVSXXQYGQUIQBW-DNVCBOLYSA-N 1 3 336.451 2.258 10 0 EEAEHO CN(CCOc1ccc(C(F)(F)F)cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923375640 789457351 /nfs/dbraw/zinc/45/73/51/789457351.db2.gz CWKDAMBCUKKUPU-HNNXBMFYSA-N 1 3 344.377 2.395 10 0 EEAEHO CCN1CCN(C[C@H](C)C[NH2+]Cc2nccc3c2CCCC3)CC1 ZINC000921684443 794598283 /nfs/dbraw/zinc/59/82/83/794598283.db2.gz AKLDEUGBBGTUSQ-QGZVFWFLSA-N 1 3 330.520 2.324 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCCCC[C@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001436479263 1087956999 /nfs/dbraw/zinc/95/69/99/1087956999.db2.gz RSZBPRWOWFWRDV-RTWZZBQXSA-N 1 3 327.900 2.442 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1C)N1CCCCC1 ZINC001436491405 1087988005 /nfs/dbraw/zinc/98/80/05/1087988005.db2.gz TWRZCMUSMOOSHV-IKGGRYGDSA-N 1 3 327.488 2.436 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCF)[C@@H]1C)N1CCCCC1 ZINC001436491405 1087988020 /nfs/dbraw/zinc/98/80/20/1087988020.db2.gz TWRZCMUSMOOSHV-IKGGRYGDSA-N 1 3 327.488 2.436 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001436975185 1088669143 /nfs/dbraw/zinc/66/91/43/1088669143.db2.gz IYTXUHRBRJMDST-KFWWJZLASA-N 1 3 331.451 2.391 10 0 EEAEHO Cc1nc(C)c(CN2CCC[C@@H](CNC(=O)CC[NH+](C)C)C2)s1 ZINC001437009748 1088785083 /nfs/dbraw/zinc/78/50/83/1088785083.db2.gz ZLFWKCVAMAQSEH-HNNXBMFYSA-N 1 3 338.521 2.040 10 0 EEAEHO Cc1nsc(C)c1CN[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001437161723 1089171360 /nfs/dbraw/zinc/17/13/60/1089171360.db2.gz HBXHJNYIQDDOFA-SWLSCSKDSA-N 1 3 338.521 2.229 10 0 EEAEHO Cc1nsc(C)c1CN[C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001437161723 1089171364 /nfs/dbraw/zinc/17/13/64/1089171364.db2.gz HBXHJNYIQDDOFA-SWLSCSKDSA-N 1 3 338.521 2.229 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC001437325274 1089492004 /nfs/dbraw/zinc/49/20/04/1089492004.db2.gz QZEPLKAZJRUUAR-HZPDHXFCSA-N 1 3 336.455 2.078 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)NCc1cncs1 ZINC001438380140 1090863650 /nfs/dbraw/zinc/86/36/50/1090863650.db2.gz VRIOOUQSBLFQCN-GOEBONIOSA-N 1 3 338.521 2.248 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cncc(C)c1 ZINC001438714279 1091234688 /nfs/dbraw/zinc/23/46/88/1091234688.db2.gz MXOVOSIDPVVJAI-FUHWJXTLSA-N 1 3 332.492 2.201 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](NCc1ccccn1)C(C)C ZINC001438795882 1091400876 /nfs/dbraw/zinc/40/08/76/1091400876.db2.gz DJZBIVSGJDDIML-MSOLQXFVSA-N 1 3 332.492 2.186 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](NCc1ccccn1)C(C)C ZINC001438795882 1091400880 /nfs/dbraw/zinc/40/08/80/1091400880.db2.gz DJZBIVSGJDDIML-MSOLQXFVSA-N 1 3 332.492 2.186 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(COC)c1 ZINC001445661247 1091450569 /nfs/dbraw/zinc/45/05/69/1091450569.db2.gz YZOHMQSFZIYBRT-LPHOPBHVSA-N 1 3 347.503 2.302 10 0 EEAEHO CC[C@@H](C(=O)NCC1([NH2+][C@@H]2CCc3c2cccc3F)CC1)N(C)C ZINC001446260963 1092397204 /nfs/dbraw/zinc/39/72/04/1092397204.db2.gz MNKBWFOXVKFSBH-SJORKVTESA-N 1 3 333.451 2.392 10 0 EEAEHO Cc1ncc(CN[C@@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)s1 ZINC001440475503 1093703071 /nfs/dbraw/zinc/70/30/71/1093703071.db2.gz SKHRCJDUCLDWCX-OAHLLOKOSA-N 1 3 338.521 2.264 10 0 EEAEHO C[C@H](CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCC1CC1 ZINC001448733092 1093805071 /nfs/dbraw/zinc/80/50/71/1093805071.db2.gz ZRWYJJJSBYXEOL-RDTXWAMCSA-N 1 3 327.488 2.436 10 0 EEAEHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)Cc1ccc(F)cc1 ZINC001440921444 1094175757 /nfs/dbraw/zinc/17/57/57/1094175757.db2.gz DMNSDPOJKGWNSC-RDTXWAMCSA-N 1 3 333.451 2.104 10 0 EEAEHO CN(CC(=O)NC1CCC([NH2+]Cc2cncc(F)c2)CC1)C1CCC1 ZINC001441729986 1095711939 /nfs/dbraw/zinc/71/19/39/1095711939.db2.gz NJBCZXOZTQIWBU-UHFFFAOYSA-N 1 3 348.466 2.222 10 0 EEAEHO C[C@H](CNC(=O)c1ccccc1CC[NH+](C)C)NCc1cncs1 ZINC001441920144 1096102719 /nfs/dbraw/zinc/10/27/19/1096102719.db2.gz LAMFVEIHAHJIRM-CQSZACIVSA-N 1 3 346.500 2.155 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]C/C=C/Cl)C(C)(C)C1 ZINC001441942576 1096140950 /nfs/dbraw/zinc/14/09/50/1096140950.db2.gz XHSPWLKGRKVDMA-MMCPSDEHSA-N 1 3 327.900 2.440 10 0 EEAEHO CC(C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C(F)(F)F ZINC001442228569 1096526670 /nfs/dbraw/zinc/52/66/70/1096526670.db2.gz XRRAHDUMBKXMTM-ZIAGYGMSSA-N 1 3 337.430 2.352 10 0 EEAEHO Cc1cnc(CN[C@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cn1 ZINC001442306762 1096622281 /nfs/dbraw/zinc/62/22/81/1096622281.db2.gz OYKZEHQMTRKSRQ-QAPCUYQASA-N 1 3 347.507 2.032 10 0 EEAEHO Cc1cnc(CN[C@H](C)CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cn1 ZINC001442306762 1096622288 /nfs/dbraw/zinc/62/22/88/1096622288.db2.gz OYKZEHQMTRKSRQ-QAPCUYQASA-N 1 3 347.507 2.032 10 0 EEAEHO Cc1nc(CN[C@H](C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)sc1C ZINC001442319954 1096638023 /nfs/dbraw/zinc/63/80/23/1096638023.db2.gz LKRVGNPMIHTELX-DOMZBBRYSA-N 1 3 338.521 2.086 10 0 EEAEHO Cc1nc(CN[C@H](C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)sc1C ZINC001442319954 1096638027 /nfs/dbraw/zinc/63/80/27/1096638027.db2.gz LKRVGNPMIHTELX-DOMZBBRYSA-N 1 3 338.521 2.086 10 0 EEAEHO CN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Cc1ccc(C2CC2)cc1 ZINC001442399017 1096719348 /nfs/dbraw/zinc/71/93/48/1096719348.db2.gz BWAZEOXJAOQJCU-HXUWFJFHSA-N 1 3 341.499 2.454 10 0 EEAEHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1cn(C(C)C)nc1C ZINC001444028002 1098546222 /nfs/dbraw/zinc/54/62/22/1098546222.db2.gz FJIXCWVQNSDXPK-WMZOPIPTSA-N 1 3 349.523 2.099 10 0 EEAEHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1cn(C(C)C)nc1C ZINC001444028002 1098546226 /nfs/dbraw/zinc/54/62/26/1098546226.db2.gz FJIXCWVQNSDXPK-WMZOPIPTSA-N 1 3 349.523 2.099 10 0 EEAEHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2scnc2C)C1)N(C)C ZINC001479476877 1098558266 /nfs/dbraw/zinc/55/82/66/1098558266.db2.gz YGJOVGYOWASRCU-ZNMIVQPWSA-N 1 3 338.521 2.166 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CCCCC[C@H](NCc2cnoc2C)C1 ZINC001479691813 1098755409 /nfs/dbraw/zinc/75/54/09/1098755409.db2.gz LRYLFYIUWVDYDT-KRWDZBQOSA-N 1 3 336.480 2.186 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CCCCC[C@H](NCc2cnoc2C)C1 ZINC001479691813 1098755416 /nfs/dbraw/zinc/75/54/16/1098755416.db2.gz LRYLFYIUWVDYDT-KRWDZBQOSA-N 1 3 336.480 2.186 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(COC)cc2)[C@@H]1C ZINC001479723260 1098815133 /nfs/dbraw/zinc/81/51/33/1098815133.db2.gz FXFUHMGVJHQHPL-APWZRJJASA-N 1 3 347.503 2.254 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(COC)cc2)[C@@H]1C ZINC001479723260 1098815140 /nfs/dbraw/zinc/81/51/40/1098815140.db2.gz FXFUHMGVJHQHPL-APWZRJJASA-N 1 3 347.503 2.254 10 0 EEAEHO Cc1ncc(CNC[C@@H](C)N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC001444627477 1099452498 /nfs/dbraw/zinc/45/24/98/1099452498.db2.gz PMCQGVVKGXLAJB-HIFRSBDPSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1ncc(CNC[C@@H](C)N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)s1 ZINC001444627477 1099452506 /nfs/dbraw/zinc/45/25/06/1099452506.db2.gz PMCQGVVKGXLAJB-HIFRSBDPSA-N 1 3 338.521 2.262 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](NCc2cnc(-c3ccccc3)o2)C1 ZINC001480156867 1099729138 /nfs/dbraw/zinc/72/91/38/1099729138.db2.gz OQOSHTWMOPVYQW-WKILWMFISA-N 1 3 342.443 2.030 10 0 EEAEHO Cc1ncccc1CN[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001480472771 1100280394 /nfs/dbraw/zinc/28/03/94/1100280394.db2.gz BJRJBFYXBCTSGW-DNVCBOLYSA-N 1 3 344.503 2.391 10 0 EEAEHO Cc1ncccc1CN[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001480472771 1100280404 /nfs/dbraw/zinc/28/04/04/1100280404.db2.gz BJRJBFYXBCTSGW-DNVCBOLYSA-N 1 3 344.503 2.391 10 0 EEAEHO C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)NC/C=C\Cl ZINC001480541272 1100371041 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EEAEHO C[C@H](CNCc1ccc(Cl)cc1F)N(C)C(=O)CC[NH+](C)C ZINC001496150434 1102140504 /nfs/dbraw/zinc/14/05/04/1102140504.db2.gz QQGDGENYYYWWFP-GFCCVEGCSA-N 1 3 329.847 2.367 10 0 EEAEHO C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001496155082 1102146651 /nfs/dbraw/zinc/14/66/51/1102146651.db2.gz SGKMKNXKKJXARX-HZPDHXFCSA-N 1 3 342.487 2.446 10 0 EEAEHO CCC1([NH2+]C[C@@H](OC)C2CCC2)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001447432154 1102642590 /nfs/dbraw/zinc/64/25/90/1102642590.db2.gz YJWJTQUVOVSCTR-QGZVFWFLSA-N 1 3 348.491 2.128 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](C[C@@H]1CC[C@@H](C)O1)C(C)C ZINC001493875527 1103010679 /nfs/dbraw/zinc/01/06/79/1103010679.db2.gz QMWVPSOSVPXGFS-ZBFHGGJFSA-N 1 3 336.480 2.045 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](C[C@@H]1CC[C@@H](C)O1)C(C)C ZINC001493875527 1103010695 /nfs/dbraw/zinc/01/06/95/1103010695.db2.gz QMWVPSOSVPXGFS-ZBFHGGJFSA-N 1 3 336.480 2.045 10 0 EEAEHO COCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001448284163 1104319323 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Cc1ncc(CNC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)s1 ZINC001498064372 1106869983 /nfs/dbraw/zinc/86/99/83/1106869983.db2.gz QKXLXFUPSHTMNV-XJKSGUPXSA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1ncc(CNC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)s1 ZINC001498064372 1106869992 /nfs/dbraw/zinc/86/99/92/1106869992.db2.gz QKXLXFUPSHTMNV-XJKSGUPXSA-N 1 3 338.521 2.166 10 0 EEAEHO CC(C)c1cccc(C[NH2+]C2(CNC(=O)[C@H]3CCCCN3C)CC2)n1 ZINC001499266494 1112208188 /nfs/dbraw/zinc/20/81/88/1112208188.db2.gz AWIZEIHPFFQCSS-GOSISDBHSA-N 1 3 344.503 2.428 10 0 EEAEHO C[C@@H]1C[C@@H](NCc2c(F)cccc2F)CCN1C(=O)CC[NH+](C)C ZINC001499844651 1112509601 /nfs/dbraw/zinc/50/96/01/1112509601.db2.gz PAJKQNJMHZEPFU-KGLIPLIRSA-N 1 3 339.430 2.386 10 0 EEAEHO CCOCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001499981621 1112564932 /nfs/dbraw/zinc/56/49/32/1112564932.db2.gz IDLFZESOOHZJDQ-KRWDZBQOSA-N 1 3 339.524 2.257 10 0 EEAEHO CN(CC(=O)N1CC[C@@H](CC[NH2+]CCC(F)(F)F)C1)C1CCC1 ZINC001501577942 1113389240 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2.147 10 0 EEAEHO CC(C)=CCN[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001508089094 1115417031 /nfs/dbraw/zinc/41/70/31/1115417031.db2.gz XHZHYDZSFYVCEB-KBPBESRZSA-N 1 3 335.414 2.273 10 0 EEAEHO CC(C)COCC[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001568109998 1124307272 /nfs/dbraw/zinc/30/72/72/1124307272.db2.gz LXNIQPCXIQBEEL-KZNAEPCWSA-N 1 3 339.524 2.018 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccccc1F ZINC001569037890 1125057534 /nfs/dbraw/zinc/05/75/34/1125057534.db2.gz COYCAWBNWIHXPD-QAPCUYQASA-N 1 3 335.467 2.337 10 0 EEAEHO CCN1CCN(CC[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000053937276 214205996 /nfs/dbraw/zinc/20/59/96/214205996.db2.gz FAHGUJLAHIDZSW-HNNXBMFYSA-N 1 3 326.282 2.477 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CNCc1cn(CCC(N)=O)c2ccccc12 ZINC000055569093 214331023 /nfs/dbraw/zinc/33/10/23/214331023.db2.gz PHERHRYNCCPLHH-INIZCTEOSA-N 1 3 328.460 2.091 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CNCc1cn(CCC(N)=O)c2ccccc12 ZINC000055569093 214331025 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CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCC[C@@H]1OC ZINC000339655152 285248495 /nfs/dbraw/zinc/24/84/95/285248495.db2.gz KBYFUAYFEPRKSC-SQNIBIBYSA-N 1 3 339.524 2.066 10 0 EEAEHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000183951805 533359009 /nfs/dbraw/zinc/35/90/09/533359009.db2.gz DWKWJVKNTIKZGX-CQSZACIVSA-N 1 3 339.505 2.107 10 0 EEAEHO CC[NH+]1CCC(CCNC(=O)N(CCN(C)C)CC(C)C)CC1 ZINC000074713208 292176737 /nfs/dbraw/zinc/17/67/37/292176737.db2.gz ZPQXZEZDWAUOPW-UHFFFAOYSA-N 1 3 326.529 2.338 10 0 EEAEHO Cc1nc(C[C@@H]2CCC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)no1 ZINC000191478866 152256846 /nfs/dbraw/zinc/25/68/46/152256846.db2.gz YGIVEMJYVLDUPZ-SFHVURJKSA-N 1 3 349.523 2.049 10 0 EEAEHO Cc1nc(C[C@@H]2CCC[N@H+](CCCN3CCN(C(C)C)CC3)C2)no1 ZINC000191478866 152256850 /nfs/dbraw/zinc/25/68/50/152256850.db2.gz YGIVEMJYVLDUPZ-SFHVURJKSA-N 1 3 349.523 2.049 10 0 EEAEHO CCC[C@@](C)(N)C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262666731 152303462 /nfs/dbraw/zinc/30/34/62/152303462.db2.gz KRDCEDLAMDMZIZ-AZUAARDMSA-N 1 3 347.503 2.066 10 0 EEAEHO COCCN(C)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245763167 160251714 /nfs/dbraw/zinc/25/17/14/160251714.db2.gz VXCYKNVFNOFEBW-ACDBMABISA-N 1 3 331.504 2.350 10 0 EEAEHO COCCN(C)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245763167 160251715 /nfs/dbraw/zinc/25/17/15/160251715.db2.gz VXCYKNVFNOFEBW-ACDBMABISA-N 1 3 331.504 2.350 10 0 EEAEHO COCCN(C)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245763167 160251716 /nfs/dbraw/zinc/25/17/16/160251716.db2.gz VXCYKNVFNOFEBW-ACDBMABISA-N 1 3 331.504 2.350 10 0 EEAEHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000352442887 162136682 /nfs/dbraw/zinc/13/66/82/162136682.db2.gz ZAEJZTSQLIMYLK-ZIAGYGMSSA-N 1 3 335.414 2.251 10 0 EEAEHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000352442887 162136683 /nfs/dbraw/zinc/13/66/83/162136683.db2.gz ZAEJZTSQLIMYLK-ZIAGYGMSSA-N 1 3 335.414 2.251 10 0 EEAEHO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000154997049 292532879 /nfs/dbraw/zinc/53/28/79/292532879.db2.gz YPNMXEKBXZEGBU-CRAIPNDOSA-N 1 3 332.492 2.055 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000376784899 167392282 /nfs/dbraw/zinc/39/22/82/167392282.db2.gz RBRWZLJOXPQIPA-DOTOQJQBSA-N 1 3 342.487 2.348 10 0 EEAEHO CN1CCCN(CCC[NH2+][C@@H]2CCc3cc4c(cc32)OCCO4)CC1 ZINC000095421926 277051607 /nfs/dbraw/zinc/05/16/07/277051607.db2.gz BKQUPOWEKHORQG-GOSISDBHSA-N 1 3 345.487 2.062 10 0 EEAEHO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000247367568 279038796 /nfs/dbraw/zinc/03/87/96/279038796.db2.gz RJCYBYWVJMFKRC-RTBURBONSA-N 1 3 346.519 2.143 10 0 EEAEHO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000247367568 279038799 /nfs/dbraw/zinc/03/87/99/279038799.db2.gz RJCYBYWVJMFKRC-RTBURBONSA-N 1 3 346.519 2.143 10 0 EEAEHO Cc1ccccc1CC(=O)N1CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414700023 313066586 /nfs/dbraw/zinc/06/65/86/313066586.db2.gz UMAKRWRKBKPKBT-ZWKOTPCHSA-N 1 3 329.488 2.070 10 0 EEAEHO CCCN1CCN(c2ccccc2CNC[C@@H]2CCC[NH2+]C2)CC1 ZINC000414827892 313098119 /nfs/dbraw/zinc/09/81/19/313098119.db2.gz KWQBFEGWVBWWCW-GOSISDBHSA-N 1 3 330.520 2.308 10 0 EEAEHO CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000527480607 317199367 /nfs/dbraw/zinc/19/93/67/317199367.db2.gz AVLBDGGJSHVJHQ-AEFFLSMTSA-N 1 3 332.492 2.140 10 0 EEAEHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@H](O)CC1(O)CCC1 ZINC000528450214 317389994 /nfs/dbraw/zinc/38/99/94/317389994.db2.gz NLCKOWLOVDXGDK-ZHALLVOQSA-N 1 3 346.515 2.399 10 0 EEAEHO CN(CCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccncc1 ZINC000542785291 318139815 /nfs/dbraw/zinc/13/98/15/318139815.db2.gz MWFVXGQPKXJXKU-QGZVFWFLSA-N 1 3 330.476 2.242 10 0 EEAEHO COc1cc2c(cc1F)CC[C@H]2[NH2+]CCCCN1CCN(C)CC1 ZINC000546686438 318260386 /nfs/dbraw/zinc/26/03/86/318260386.db2.gz VHZVAXOKCNSZBA-GOSISDBHSA-N 1 3 335.467 2.439 10 0 EEAEHO O=C1c2ccccc2C(=O)N1CCCCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564986174 319135755 /nfs/dbraw/zinc/13/57/55/319135755.db2.gz HHXGJORBUBYPNY-HXUWFJFHSA-N 1 3 341.455 2.138 10 0 EEAEHO O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000564986174 319135757 /nfs/dbraw/zinc/13/57/57/319135757.db2.gz HHXGJORBUBYPNY-HXUWFJFHSA-N 1 3 341.455 2.138 10 0 EEAEHO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000564986174 319135758 /nfs/dbraw/zinc/13/57/58/319135758.db2.gz HHXGJORBUBYPNY-HXUWFJFHSA-N 1 3 341.455 2.138 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000578246745 320304049 /nfs/dbraw/zinc/30/40/49/320304049.db2.gz ZUQUNFHGXYQTOQ-QFBILLFUSA-N 1 3 329.488 2.355 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000578246745 320304050 /nfs/dbraw/zinc/30/40/50/320304050.db2.gz ZUQUNFHGXYQTOQ-QFBILLFUSA-N 1 3 329.488 2.355 10 0 EEAEHO CCNC(=O)N1CC[C@@H](N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000090410623 462790205 /nfs/dbraw/zinc/79/02/05/462790205.db2.gz LSNOOXMZRGDALG-NVXWUHKLSA-N 1 3 348.491 2.081 10 0 EEAEHO CN(C)CCOC1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000072280922 463496200 /nfs/dbraw/zinc/49/62/00/463496200.db2.gz WKQMZIHNEFIJHX-UHFFFAOYSA-N 1 3 345.487 2.008 10 0 EEAEHO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](N(C)C)C1)Cc1ccccc1 ZINC000170829562 463716227 /nfs/dbraw/zinc/71/62/27/463716227.db2.gz UZOLTFGKZSSSQQ-RBUKOAKNSA-N 1 3 346.519 2.285 10 0 EEAEHO O[C@H]1C[NH2+]C[C@@H]1CNCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000262176272 463966128 /nfs/dbraw/zinc/96/61/28/463966128.db2.gz VWXMFLYASNKHLY-KXBFYZLASA-N 1 3 332.394 2.267 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188739203 464355978 /nfs/dbraw/zinc/35/59/78/464355978.db2.gz XXZMXWBZHOXKEB-UHFFFAOYSA-N 1 3 339.439 2.160 10 0 EEAEHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000245399063 464475728 /nfs/dbraw/zinc/47/57/28/464475728.db2.gz VMCZCWPPLTVSLI-FUHWJXTLSA-N 1 3 334.508 2.189 10 0 EEAEHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000245399063 464475731 /nfs/dbraw/zinc/47/57/31/464475731.db2.gz VMCZCWPPLTVSLI-FUHWJXTLSA-N 1 3 334.508 2.189 10 0 EEAEHO C[C@H](CCNC(=O)N1CCN2CCC[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000245423302 464479864 /nfs/dbraw/zinc/47/98/64/464479864.db2.gz BETYFXGCLQLSEA-MJGOQNOKSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@H](CCNC(=O)N1CCN2CCC[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000245423302 464479867 /nfs/dbraw/zinc/47/98/67/464479867.db2.gz BETYFXGCLQLSEA-MJGOQNOKSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000579730197 468404031 /nfs/dbraw/zinc/40/40/31/468404031.db2.gz BHRJGUIOAVNIRY-MRXNPFEDSA-N 1 3 345.487 2.118 10 0 EEAEHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245634055 464500821 /nfs/dbraw/zinc/50/08/21/464500821.db2.gz IVOSDGAPYGIEKB-RYQLBKOJSA-N 1 3 332.492 2.461 10 0 EEAEHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245634055 464500826 /nfs/dbraw/zinc/50/08/26/464500826.db2.gz IVOSDGAPYGIEKB-RYQLBKOJSA-N 1 3 332.492 2.461 10 0 EEAEHO CC1CC[NH+](CCNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000245655179 464502942 /nfs/dbraw/zinc/50/29/42/464502942.db2.gz NXFZRCKYFNNZNR-MOPGFXCFSA-N 1 3 344.503 2.463 10 0 EEAEHO CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)CC1 ZINC000182554392 464682468 /nfs/dbraw/zinc/68/24/68/464682468.db2.gz QESXMGMEHFLZGZ-QZTJIDSGSA-N 1 3 336.524 2.234 10 0 EEAEHO CCC(CC)[C@@H](CNC(=O)N1CCN2CCC[C@H]2C1)[NH+]1CCCC1 ZINC000247657920 464700111 /nfs/dbraw/zinc/70/01/11/464700111.db2.gz YXZFEWGTVCVZSG-ZWKOTPCHSA-N 1 3 336.524 2.377 10 0 EEAEHO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000176498572 464787301 /nfs/dbraw/zinc/78/73/01/464787301.db2.gz GARJUDGKTOATSI-LJQANCHMSA-N 1 3 346.519 2.439 10 0 EEAEHO CN1CCO[C@H](CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000183150036 464809191 /nfs/dbraw/zinc/80/91/91/464809191.db2.gz BAMILEXVVSKGQW-JSXRDJHFSA-N 1 3 343.515 2.207 10 0 EEAEHO CN1CCO[C@H](CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000183150036 464809193 /nfs/dbraw/zinc/80/91/93/464809193.db2.gz BAMILEXVVSKGQW-JSXRDJHFSA-N 1 3 343.515 2.207 10 0 EEAEHO CN1CCO[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000183150036 464809198 /nfs/dbraw/zinc/80/91/98/464809198.db2.gz BAMILEXVVSKGQW-JSXRDJHFSA-N 1 3 343.515 2.207 10 0 EEAEHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)NCCF ZINC000337499513 465400562 /nfs/dbraw/zinc/40/05/62/465400562.db2.gz ZVOLFGNLFPHZOJ-MIGBEJBISA-N 1 3 333.451 2.246 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccccc1O ZINC000299684772 465855938 /nfs/dbraw/zinc/85/59/38/465855938.db2.gz UOSOEUSQKQCTDA-GOSISDBHSA-N 1 3 347.503 2.199 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccccc1O ZINC000299684772 465855943 /nfs/dbraw/zinc/85/59/43/465855943.db2.gz UOSOEUSQKQCTDA-GOSISDBHSA-N 1 3 347.503 2.199 10 0 EEAEHO CCCN1CCN(c2ccccc2CN2CC[NH+]3CCC2CC3)CC1 ZINC000349293561 466054125 /nfs/dbraw/zinc/05/41/25/466054125.db2.gz FEVQAJYCIAIWKT-UHFFFAOYSA-N 1 3 342.531 2.499 10 0 EEAEHO C[C@H](CCC[NH3+])NC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418047663 467033562 /nfs/dbraw/zinc/03/35/62/467033562.db2.gz UEUIINHJWITDFJ-APWZRJJASA-N 1 3 332.492 2.468 10 0 EEAEHO C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000418333654 467094162 /nfs/dbraw/zinc/09/41/62/467094162.db2.gz FFVKPZCUYIYWPV-QXAKKESOSA-N 1 3 344.503 2.290 10 0 EEAEHO C[NH+](C)CCCC1CCN(C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418424993 467108781 /nfs/dbraw/zinc/10/87/81/467108781.db2.gz HLIVHJMUCDRSQP-SFHVURJKSA-N 1 3 332.492 2.450 10 0 EEAEHO C[C@@H]1CC(C)(C)CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000413212363 467191414 /nfs/dbraw/zinc/19/14/14/467191414.db2.gz YGVLYVXNIYGRPB-OAHLLOKOSA-N 1 3 336.524 2.375 10 0 EEAEHO CC(C)OCCN1CCC(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000431853772 467198692 /nfs/dbraw/zinc/19/86/92/467198692.db2.gz KWBJPGKSUFUSLT-SFHVURJKSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)OCCN1CCC(NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000431853772 467198696 /nfs/dbraw/zinc/19/86/96/467198696.db2.gz KWBJPGKSUFUSLT-SFHVURJKSA-N 1 3 339.524 2.257 10 0 EEAEHO CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000433954448 467367700 /nfs/dbraw/zinc/36/77/00/467367700.db2.gz TUBZXGSDRHLETF-SFHVURJKSA-N 1 3 336.524 2.425 10 0 EEAEHO C[C@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382760520 467379216 /nfs/dbraw/zinc/37/92/16/467379216.db2.gz JESPXNXLDSDLJU-HKUYNNGSSA-N 1 3 329.488 2.499 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1[nH]ccc1C1CC1 ZINC000457540391 467646431 /nfs/dbraw/zinc/64/64/31/467646431.db2.gz RRUUTKGHASAEPJ-INIZCTEOSA-N 1 3 332.492 2.380 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1[nH]ccc1C1CC1 ZINC000457540391 467646433 /nfs/dbraw/zinc/64/64/33/467646433.db2.gz RRUUTKGHASAEPJ-INIZCTEOSA-N 1 3 332.492 2.380 10 0 EEAEHO O=C(NCC1CC[NH+](C2CC2)CC1)Nc1ccc2c(c1)OCCNC2 ZINC000528709939 467734146 /nfs/dbraw/zinc/73/41/46/467734146.db2.gz NSSLOCGIGUHDSQ-UHFFFAOYSA-N 1 3 344.459 2.165 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)NC3(C4(C)CC4)CC3)CC2)CC1 ZINC000458106773 467769868 /nfs/dbraw/zinc/76/98/68/467769868.db2.gz CWSNRHFKLILMFN-UHFFFAOYSA-N 1 3 334.508 2.177 10 0 EEAEHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000472455615 467988119 /nfs/dbraw/zinc/98/81/19/467988119.db2.gz LIDVFBPFUCVXOJ-MRXNPFEDSA-N 1 3 326.529 2.480 10 0 EEAEHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000533913469 468227922 /nfs/dbraw/zinc/22/79/22/468227922.db2.gz DZDVMDMNLNFISC-QRQLOZEOSA-N 1 3 344.503 2.461 10 0 EEAEHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000533913469 468227926 /nfs/dbraw/zinc/22/79/26/468227926.db2.gz DZDVMDMNLNFISC-QRQLOZEOSA-N 1 3 344.503 2.461 10 0 EEAEHO CC(C)C[C@H]([NH2+]C1CCC2(CCCO2)CC1)C(=O)NCCN(C)C ZINC000578828976 468261440 /nfs/dbraw/zinc/26/14/40/468261440.db2.gz FEVBXSUQYGEXPQ-HFCFLWKCSA-N 1 3 339.524 2.160 10 0 EEAEHO CCOC(=O)C1([C@H](C)NCc2cccc(C)c2OC)CC[NH2+]CC1 ZINC000594585139 468627810 /nfs/dbraw/zinc/62/78/10/468627810.db2.gz OHVAOWUXKYDSCO-HNNXBMFYSA-N 1 3 334.460 2.415 10 0 EEAEHO CN(C(=O)N[C@@H](C[NH3+])C1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000561213150 468876791 /nfs/dbraw/zinc/87/67/91/468876791.db2.gz WOQYDOAKCSTHQP-OALUTQOASA-N 1 3 344.503 2.420 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(F)c(F)cc1F ZINC000617506793 469707107 /nfs/dbraw/zinc/70/71/07/469707107.db2.gz ZEWUABDCTFXLTO-NSHDSACASA-N 1 3 331.382 2.106 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(F)c(F)cc1F ZINC000617506793 469707111 /nfs/dbraw/zinc/70/71/11/469707111.db2.gz ZEWUABDCTFXLTO-NSHDSACASA-N 1 3 331.382 2.106 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)NCC(C)(C)N2CCc3ccccc3C2)C[NH2+]1 ZINC000626938704 469762971 /nfs/dbraw/zinc/76/29/71/469762971.db2.gz JFKDIVVXLPINEL-QAPCUYQASA-N 1 3 344.503 2.263 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000627168887 469832334 /nfs/dbraw/zinc/83/23/34/469832334.db2.gz KMKYZFZFMNHMFK-RBUKOAKNSA-N 1 3 346.519 2.333 10 0 EEAEHO CN(C)[C@H](CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000620976683 469965860 /nfs/dbraw/zinc/96/58/60/469965860.db2.gz KQPJEVFCFJSQPM-RTBURBONSA-N 1 3 347.503 2.249 10 0 EEAEHO C[C@@]1(C[NH2+]CCCN2CCN(c3ccncc3)CC2)CCCS1 ZINC000628210445 470076705 /nfs/dbraw/zinc/07/67/05/470076705.db2.gz XOROLWCPGJWWKQ-SFHVURJKSA-N 1 3 334.533 2.469 10 0 EEAEHO CC(=O)N1CC[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c2ccccc21 ZINC000621764627 470105289 /nfs/dbraw/zinc/10/52/89/470105289.db2.gz JJNODMXLDFNART-QFBILLFUSA-N 1 3 346.519 2.346 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2ccn(C)c2c1 ZINC000633614325 470531396 /nfs/dbraw/zinc/53/13/96/470531396.db2.gz OOHJBCPZIHBSQF-HNNXBMFYSA-N 1 3 330.476 2.180 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2ccn(C)c2c1 ZINC000633614325 470531402 /nfs/dbraw/zinc/53/14/02/470531402.db2.gz OOHJBCPZIHBSQF-HNNXBMFYSA-N 1 3 330.476 2.180 10 0 EEAEHO Cc1ccccc1-n1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cn1 ZINC000647208895 470859100 /nfs/dbraw/zinc/85/91/00/470859100.db2.gz KCSXLEPVNQSGKP-UHFFFAOYSA-N 1 3 341.503 2.296 10 0 EEAEHO CN(Cc1ccccc1)C[C@@H](O)CNC1CC([NH+]2CCCCC2)C1 ZINC000644636809 471001931 /nfs/dbraw/zinc/00/19/31/471001931.db2.gz WELKFXYDBFKHOY-MHJFOBGBSA-N 1 3 331.504 2.086 10 0 EEAEHO C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H](c1ccccc1)N(C)C ZINC000654561770 471072124 /nfs/dbraw/zinc/07/21/24/471072124.db2.gz PAVXKEWDPBYVQI-XYVMCAHJSA-N 1 3 332.492 2.317 10 0 EEAEHO CC[C@@H]1C[C@@H](NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CO1 ZINC000657355133 471110340 /nfs/dbraw/zinc/11/03/40/471110340.db2.gz CJCPWTYSGFUSSO-GUDVDZBRSA-N 1 3 345.487 2.041 10 0 EEAEHO CC[C@@H]1C[C@@H](NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CO1 ZINC000657355133 471110342 /nfs/dbraw/zinc/11/03/42/471110342.db2.gz CJCPWTYSGFUSSO-GUDVDZBRSA-N 1 3 345.487 2.041 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C)[C@@H](F)C3)CC2)CC1 ZINC000654986861 471242879 /nfs/dbraw/zinc/24/28/79/471242879.db2.gz ZHXKWISWXIVQGB-YJBOKZPZSA-N 1 3 339.499 2.389 10 0 EEAEHO CN1CCC(N(Cc2ccco2)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652243691 471261218 /nfs/dbraw/zinc/26/12/18/471261218.db2.gz DPGQEILZNBAXIQ-UHFFFAOYSA-N 1 3 334.464 2.014 10 0 EEAEHO CO[C@H](C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)[C@H]1CCOC1 ZINC000658075173 471264718 /nfs/dbraw/zinc/26/47/18/471264718.db2.gz WLDXHLGHIYSHBN-VDZJLULYSA-N 1 3 336.476 2.329 10 0 EEAEHO Cn1ncc2c1CCC[C@@H]2NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658141140 471270035 /nfs/dbraw/zinc/27/00/35/471270035.db2.gz RIAYTMBGOODXSJ-HKUYNNGSSA-N 1 3 340.471 2.154 10 0 EEAEHO Cn1ncc2c1CCC[C@@H]2NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658141140 471270038 /nfs/dbraw/zinc/27/00/38/471270038.db2.gz RIAYTMBGOODXSJ-HKUYNNGSSA-N 1 3 340.471 2.154 10 0 EEAEHO Cc1ccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000663575688 471433009 /nfs/dbraw/zinc/43/30/09/471433009.db2.gz ZPPJGOYAZVQTAK-ZDUSSCGKSA-N 1 3 326.510 2.128 10 0 EEAEHO Cc1ccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000663575688 471433015 /nfs/dbraw/zinc/43/30/15/471433015.db2.gz ZPPJGOYAZVQTAK-ZDUSSCGKSA-N 1 3 326.510 2.128 10 0 EEAEHO CC[NH2+]Cc1ccccc1NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659019062 471469245 /nfs/dbraw/zinc/46/92/45/471469245.db2.gz MOTBIHMJFBSLEO-QGZVFWFLSA-N 1 3 346.475 2.171 10 0 EEAEHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000659029388 471473818 /nfs/dbraw/zinc/47/38/18/471473818.db2.gz BPKHNBVACJVPQL-SQNIBIBYSA-N 1 3 344.459 2.096 10 0 EEAEHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000659029388 471473823 /nfs/dbraw/zinc/47/38/23/471473823.db2.gz BPKHNBVACJVPQL-SQNIBIBYSA-N 1 3 344.459 2.096 10 0 EEAEHO O=C(NCCCN1CCc2ccccc2C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653109452 471493007 /nfs/dbraw/zinc/49/30/07/471493007.db2.gz BTDYZYCKEZKAPM-MOPGFXCFSA-N 1 3 327.472 2.082 10 0 EEAEHO CN(C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)[C@@H]1CCN(C2CC2)C1 ZINC000659292101 471570019 /nfs/dbraw/zinc/57/00/19/471570019.db2.gz BJQPMQBAJQPFBD-SJLPKXTDSA-N 1 3 327.472 2.374 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000659424015 471619656 /nfs/dbraw/zinc/61/96/56/471619656.db2.gz RRERKKPNGDVXLG-GOSISDBHSA-N 1 3 332.492 2.324 10 0 EEAEHO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccccc1 ZINC000659428261 471621896 /nfs/dbraw/zinc/62/18/96/471621896.db2.gz ZOWHCNVJQUALFT-ZACQAIPSSA-N 1 3 336.455 2.150 10 0 EEAEHO O=C(NCCN1CCC2(CCCCC2)CC1)NCC12CC(C1)C[NH2+]2 ZINC000659491297 471654182 /nfs/dbraw/zinc/65/41/82/471654182.db2.gz ROGNOOUXJVOSMW-UHFFFAOYSA-N 1 3 334.508 2.084 10 0 EEAEHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659577183 471684088 /nfs/dbraw/zinc/68/40/88/471684088.db2.gz PGDWKWOFUNPDLY-GUDVDZBRSA-N 1 3 344.503 2.256 10 0 EEAEHO CN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000659583589 471687799 /nfs/dbraw/zinc/68/77/99/471687799.db2.gz TZCRSCBSEZQYCC-GUDVDZBRSA-N 1 3 342.487 2.010 10 0 EEAEHO CCN(C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CCN(CC)C1 ZINC000667336210 471744892 /nfs/dbraw/zinc/74/48/92/471744892.db2.gz ZSSYAHVDGPNEPT-GOSISDBHSA-N 1 3 336.524 2.234 10 0 EEAEHO CN(C)CCc1ccccc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000667451328 471783285 /nfs/dbraw/zinc/78/32/85/471783285.db2.gz XDXVIBDNJUSFJK-IBGZPJMESA-N 1 3 330.476 2.398 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1c2ccccc2O[C@H]1C ZINC000664916604 471896925 /nfs/dbraw/zinc/89/69/25/471896925.db2.gz QHQJWVWLPSZPRO-RLFYNMQTSA-N 1 3 348.491 2.080 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1c2ccccc2O[C@H]1C ZINC000664916604 471896927 /nfs/dbraw/zinc/89/69/27/471896927.db2.gz QHQJWVWLPSZPRO-RLFYNMQTSA-N 1 3 348.491 2.080 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000665763776 472177258 /nfs/dbraw/zinc/17/72/58/472177258.db2.gz LKCKSDOTGHOXNV-JCGIZDLHSA-N 1 3 336.524 2.088 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000665763776 472177262 /nfs/dbraw/zinc/17/72/62/472177262.db2.gz LKCKSDOTGHOXNV-JCGIZDLHSA-N 1 3 336.524 2.088 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000665761527 472177544 /nfs/dbraw/zinc/17/75/44/472177544.db2.gz GWFVNNCCNQYKJD-WCXIOVBPSA-N 1 3 326.529 2.334 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000665761527 472177546 /nfs/dbraw/zinc/17/75/46/472177546.db2.gz GWFVNNCCNQYKJD-WCXIOVBPSA-N 1 3 326.529 2.334 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662793636 472253397 /nfs/dbraw/zinc/25/33/97/472253397.db2.gz KWZBELCQLSPAOR-ZFWWWQNUSA-N 1 3 342.443 2.119 10 0 EEAEHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)CCO1 ZINC000662973629 472313703 /nfs/dbraw/zinc/31/37/03/472313703.db2.gz SVINEQQKZFKCFB-MSOLQXFVSA-N 1 3 347.503 2.282 10 0 EEAEHO C[NH+](C)CCOc1ccc(CN2CCc3cc[nH]c(=O)c3C2)cc1 ZINC000683163379 486623689 /nfs/dbraw/zinc/62/36/89/486623689.db2.gz QSEAZZVRACQMAX-UHFFFAOYSA-N 1 3 327.428 2.286 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000677837683 490619797 /nfs/dbraw/zinc/61/97/97/490619797.db2.gz JOCWOXYZRBBQSW-IBGZPJMESA-N 1 3 345.487 2.456 10 0 EEAEHO CC(C)N1CCCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000415950334 529006695 /nfs/dbraw/zinc/00/66/95/529006695.db2.gz DAKHNINYAOHVHU-UHFFFAOYSA-N 1 3 334.439 2.419 10 0 EEAEHO CCN1CCO[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000397961021 576122565 /nfs/dbraw/zinc/12/25/65/576122565.db2.gz FCIARASJPGMKSA-MISYRCLQSA-N 1 3 331.504 2.207 10 0 EEAEHO CCN1CCO[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000397961021 576122567 /nfs/dbraw/zinc/12/25/67/576122567.db2.gz FCIARASJPGMKSA-MISYRCLQSA-N 1 3 331.504 2.207 10 0 EEAEHO CN1CC[C@H](NC(=S)NCC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000760500035 577664218 /nfs/dbraw/zinc/66/42/18/577664218.db2.gz PLKBPULWWHFBKE-ZWKOTPCHSA-N 1 3 346.544 2.238 10 0 EEAEHO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261821231 681575113 /nfs/dbraw/zinc/57/51/13/681575113.db2.gz IJBZWWUGVNVWOK-KBPBESRZSA-N 1 3 335.414 2.109 10 0 EEAEHO C[C@H]1[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCN1C ZINC000925322448 692044507 /nfs/dbraw/zinc/04/45/07/692044507.db2.gz PPANSVJGADSUOW-BZSNNMDCSA-N 1 3 336.524 2.233 10 0 EEAEHO Cc1nc(C[NH2+][C@H](CCNC(=O)CN2CCCC2)C(C)C)cs1 ZINC001485792365 1191954862 /nfs/dbraw/zinc/95/48/62/1191954862.db2.gz BNEIGGLYDPPHHL-MRXNPFEDSA-N 1 3 338.521 2.168 10 0 EEAEHO CN(CC(=O)NCC[N@H+](C)CC[C@H]1CCCC1(F)F)C1CCC1 ZINC001480873781 1176531105 /nfs/dbraw/zinc/53/11/05/1176531105.db2.gz LDSGVUSWIBKASH-CQSZACIVSA-N 1 3 331.451 2.344 10 0 EEAEHO CN(CC(=O)NCC[N@@H+](C)CC[C@H]1CCCC1(F)F)C1CCC1 ZINC001480873781 1176531108 /nfs/dbraw/zinc/53/11/08/1176531108.db2.gz LDSGVUSWIBKASH-CQSZACIVSA-N 1 3 331.451 2.344 10 0 EEAEHO CN(CCNCc1cccnc1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001691346198 1177942171 /nfs/dbraw/zinc/94/21/71/1177942171.db2.gz SRIAUAZIWAZEFB-GOSISDBHSA-N 1 3 330.476 2.037 10 0 EEAEHO CN(CCNCc1cccnc1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001691346198 1177942180 /nfs/dbraw/zinc/94/21/80/1177942180.db2.gz SRIAUAZIWAZEFB-GOSISDBHSA-N 1 3 330.476 2.037 10 0 EEAEHO CCOCCCN1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691409335 1178016932 /nfs/dbraw/zinc/01/69/32/1178016932.db2.gz BXKAETHTICQILK-SFHVURJKSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1ncsc1CNCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001267437781 1179011245 /nfs/dbraw/zinc/01/12/45/1179011245.db2.gz XUCAOPNGMAPTJJ-HNNXBMFYSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1ncsc1CNCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001267437781 1179011254 /nfs/dbraw/zinc/01/12/54/1179011254.db2.gz XUCAOPNGMAPTJJ-HNNXBMFYSA-N 1 3 338.521 2.262 10 0 EEAEHO COCCCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001481040809 1179599552 /nfs/dbraw/zinc/59/95/52/1179599552.db2.gz XLJQFZSYKGUNPY-KRWDZBQOSA-N 1 3 339.524 2.258 10 0 EEAEHO COCCCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001481040809 1179599556 /nfs/dbraw/zinc/59/95/56/1179599556.db2.gz XLJQFZSYKGUNPY-KRWDZBQOSA-N 1 3 339.524 2.258 10 0 EEAEHO C[NH+](C)CCC(=O)NCCN(Cc1ccc2cc[nH]c2c1)C1CC1 ZINC001481182371 1180016112 /nfs/dbraw/zinc/01/61/12/1180016112.db2.gz BQZMWYIFFDLZSB-UHFFFAOYSA-N 1 3 328.460 2.200 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1CCC(CCNCc2cnc(C)o2)CC1 ZINC001267916651 1180757814 /nfs/dbraw/zinc/75/78/14/1180757814.db2.gz GJLSBZMRUAGMHW-UHFFFAOYSA-N 1 3 336.480 2.043 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1CCC(CCNCc2cnc(C)o2)CC1 ZINC001267916651 1180757821 /nfs/dbraw/zinc/75/78/21/1180757821.db2.gz GJLSBZMRUAGMHW-UHFFFAOYSA-N 1 3 336.480 2.043 10 0 EEAEHO O=C(CCCC[NH+]1CCCC1)N1CCC[C@@H]1CNCc1cccnc1 ZINC001267971722 1180886220 /nfs/dbraw/zinc/88/62/20/1180886220.db2.gz CVDSVXLUWDENPG-LJQANCHMSA-N 1 3 344.503 2.428 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)CC[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001481306050 1180982560 /nfs/dbraw/zinc/98/25/60/1180982560.db2.gz DTRXSEMGRQFPFT-OAHLLOKOSA-N 1 3 333.467 2.446 10 0 EEAEHO COc1cccc(CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)c1 ZINC001268055338 1181612221 /nfs/dbraw/zinc/61/22/21/1181612221.db2.gz OPUPGRCRFPHFTK-QFBILLFUSA-N 1 3 347.503 2.159 10 0 EEAEHO COCC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CCCCC1 ZINC001268121836 1181768280 /nfs/dbraw/zinc/76/82/80/1181768280.db2.gz XUKXMRCGXAENQC-KRWDZBQOSA-N 1 3 339.524 2.162 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001268376479 1182396345 /nfs/dbraw/zinc/39/63/45/1182396345.db2.gz XVPRAEJATORPIQ-KBXCAEBGSA-N 1 3 330.476 2.493 10 0 EEAEHO Cc1oncc1CNC[C@](C)(NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001481933134 1182981175 /nfs/dbraw/zinc/98/11/75/1182981175.db2.gz XQFDRQIMBSZBQE-HKUYNNGSSA-N 1 3 348.491 2.232 10 0 EEAEHO Cc1oncc1CNC[C@](C)(NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001481933134 1182981181 /nfs/dbraw/zinc/98/11/81/1182981181.db2.gz XQFDRQIMBSZBQE-HKUYNNGSSA-N 1 3 348.491 2.232 10 0 EEAEHO O=C(N[C@@H](CNCC=C(Cl)Cl)C1CC1)C12CCC[NH+]1CCC2 ZINC001269088745 1183949584 /nfs/dbraw/zinc/94/95/84/1183949584.db2.gz FZCDYGPUVSGPEG-ZDUSSCGKSA-N 1 3 346.302 2.418 10 0 EEAEHO C[C@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001482330866 1185415125 /nfs/dbraw/zinc/41/51/25/1185415125.db2.gz MUMRMBJDOUOZAN-UONOGXRCSA-N 1 3 338.883 2.013 10 0 EEAEHO CCN(CC[NH2+]CCCc1cccc(C)c1)C(=O)[C@@H]1CCCN1C ZINC001482914101 1187840248 /nfs/dbraw/zinc/84/02/48/1187840248.db2.gz IWCAROFJHXYFTC-IBGZPJMESA-N 1 3 331.504 2.460 10 0 EEAEHO Cc1cncc(C[NH2+]CCN(C)C(=O)c2cccc(CN(C)C)c2)c1 ZINC001691619648 1188320252 /nfs/dbraw/zinc/32/02/52/1188320252.db2.gz VMNQBNMXZQAJLI-UHFFFAOYSA-N 1 3 340.471 2.313 10 0 EEAEHO C[C@H](C[NH2+]C[C@H]1CCc2ccccc2C1)NC(=O)C1(N(C)C)CCC1 ZINC001483135976 1188684418 /nfs/dbraw/zinc/68/44/18/1188684418.db2.gz YLYBRGOACDBXJT-SJORKVTESA-N 1 3 343.515 2.370 10 0 EEAEHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cccc(OC)c1C)N(C)C ZINC001409577147 1190061138 /nfs/dbraw/zinc/06/11/38/1190061138.db2.gz NLWBAOWNCRYDSN-WMLDXEAASA-N 1 3 335.492 2.280 10 0 EEAEHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(OC)c1C)N(C)C ZINC001409577147 1190061143 /nfs/dbraw/zinc/06/11/43/1190061143.db2.gz NLWBAOWNCRYDSN-WMLDXEAASA-N 1 3 335.492 2.280 10 0 EEAEHO COc1ccc(CN(C)[C@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC001409661068 1190158460 /nfs/dbraw/zinc/15/84/60/1190158460.db2.gz ZLPQVSNXVAXLRH-AEFFLSMTSA-N 1 3 347.503 2.282 10 0 EEAEHO COc1ccc(CN(C)[C@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001409661068 1190158465 /nfs/dbraw/zinc/15/84/65/1190158465.db2.gz ZLPQVSNXVAXLRH-AEFFLSMTSA-N 1 3 347.503 2.282 10 0 EEAEHO CN(CCC[NH2+][C@H]1CCc2ccc(F)cc21)C(=O)Cc1c[nH]cn1 ZINC001483494108 1190511462 /nfs/dbraw/zinc/51/14/62/1190511462.db2.gz CFYFRVQPDUZKNL-KRWDZBQOSA-N 1 3 330.407 2.217 10 0 EEAEHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+]CCOC(C)C)C1 ZINC001691637183 1190749076 /nfs/dbraw/zinc/74/90/76/1190749076.db2.gz UWXSWESXCFWDQW-KRWDZBQOSA-N 1 3 327.513 2.114 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CN(CCCCCF)CCC2(F)F)C1 ZINC001484195570 1191267628 /nfs/dbraw/zinc/26/76/28/1191267628.db2.gz HZILFOJIPNRRKW-LSDHHAIUSA-N 1 3 349.441 2.151 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(CCCCCF)CCC2(F)F)C1 ZINC001484195570 1191267629 /nfs/dbraw/zinc/26/76/29/1191267629.db2.gz HZILFOJIPNRRKW-LSDHHAIUSA-N 1 3 349.441 2.151 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@@H](CC[NH2+]CCc3cccs3)C2)C1 ZINC001484538251 1191404460 /nfs/dbraw/zinc/40/44/60/1191404460.db2.gz WBYCNSJGZNNISE-DLBZAZTESA-N 1 3 349.544 2.461 10 0 EEAEHO Cc1cncc(C[N@H+]2CCC[C@@H](NC(=O)CN(C)C(C)C)CC2)c1 ZINC001484728169 1191487515 /nfs/dbraw/zinc/48/75/15/1191487515.db2.gz KLOKRQONPHDQKO-GOSISDBHSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1cncc(C[N@@H+]2CCC[C@@H](NC(=O)CN(C)C(C)C)CC2)c1 ZINC001484728169 1191487516 /nfs/dbraw/zinc/48/75/16/1191487516.db2.gz KLOKRQONPHDQKO-GOSISDBHSA-N 1 3 332.492 2.201 10 0 EEAEHO CCC1([NH2+]CCOC(C)C)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001484816505 1191538074 /nfs/dbraw/zinc/53/80/74/1191538074.db2.gz LRPKNCGLBKYLME-QGZVFWFLSA-N 1 3 341.540 2.358 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)CCc1ccc(F)c(F)c1 ZINC001485389354 1191775734 /nfs/dbraw/zinc/77/57/34/1191775734.db2.gz SVCXUSHNYKVZHN-AWEZNQCLSA-N 1 3 341.446 2.284 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)CCc1ccc(F)c(F)c1 ZINC001485389354 1191775736 /nfs/dbraw/zinc/77/57/36/1191775736.db2.gz SVCXUSHNYKVZHN-AWEZNQCLSA-N 1 3 341.446 2.284 10 0 EEAEHO CC(C)c1ccc(CCN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872257748 1198114799 /nfs/dbraw/zinc/11/47/99/1198114799.db2.gz VUDAGZXDQGLHLO-QRVBRYPASA-N 1 3 343.471 2.219 10 0 EEAEHO CCCc1cccc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000872257419 1198115326 /nfs/dbraw/zinc/11/53/26/1198115326.db2.gz REEFXYPUEVAKQL-KURKYZTESA-N 1 3 329.444 2.006 10 0 EEAEHO Cc1ncccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001410949345 1198616549 /nfs/dbraw/zinc/61/65/49/1198616549.db2.gz FSVPGAAPABIHLF-WMZOPIPTSA-N 1 3 332.492 2.105 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1 ZINC001411230391 1198940989 /nfs/dbraw/zinc/94/09/89/1198940989.db2.gz CLSCUIISIQNNNB-UONOGXRCSA-N 1 3 335.414 2.107 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000810429007 1199507283 /nfs/dbraw/zinc/50/72/83/1199507283.db2.gz UBMVSZJKROZDLQ-QAPCUYQASA-N 1 3 325.472 2.143 10 0 EEAEHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870893095 1200936598 /nfs/dbraw/zinc/93/65/98/1200936598.db2.gz PQPUDRHDDVFLAD-HBFSDRIKSA-N 1 3 329.488 2.137 10 0 EEAEHO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000866115694 1201437246 /nfs/dbraw/zinc/43/72/46/1201437246.db2.gz VCMZJWKEPNIZKW-XDNAFOTISA-N 1 3 333.520 2.345 10 0 EEAEHO Cc1cc(C)cc(OCC[NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001274787683 1205165346 /nfs/dbraw/zinc/16/53/46/1205165346.db2.gz SATABNLPQBTUIP-QGZVFWFLSA-N 1 3 347.503 2.261 10 0 EEAEHO CN(CCC[NH2+]Cc1cnn(C(C)(C)C)c1)C(=O)[C@H]1CCCCN1C ZINC001276075988 1205762658 /nfs/dbraw/zinc/76/26/58/1205762658.db2.gz HKJFTXZZUFFIDX-QGZVFWFLSA-N 1 3 349.523 2.061 10 0 EEAEHO CN(CCC[NH2+][C@@H]1CCCc2ccccc21)C(=O)Cc1c[nH]cn1 ZINC001276245394 1205852121 /nfs/dbraw/zinc/85/21/21/1205852121.db2.gz IMOYWLUYXKESCS-GOSISDBHSA-N 1 3 326.444 2.468 10 0 EEAEHO CNS(=O)(=O)c1ccc([C@H](C)N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925508277 1206120887 /nfs/dbraw/zinc/12/08/87/1206120887.db2.gz PTRIKEAJFWTNLC-QEJZJMRPSA-N 1 3 339.505 2.151 10 0 EEAEHO COc1ccc(C(=O)NCCN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925584172 1206132298 /nfs/dbraw/zinc/13/22/98/1206132298.db2.gz KMWVOFNNNQQZSC-RTBURBONSA-N 1 3 345.487 2.183 10 0 EEAEHO C1CC2(C1)[C@H]([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)C[C@H]2N1CCOCC1 ZINC000925709798 1206145411 /nfs/dbraw/zinc/14/54/11/1206145411.db2.gz VXWDFIUQMRCOAP-MTQWCTHYSA-N 1 3 347.547 2.388 10 0 EEAEHO O=C1O[C@H](CN[C@H]2CCCOc3ccccc32)CC12CC[NH2+]CC2 ZINC000925856821 1206161669 /nfs/dbraw/zinc/16/16/69/1206161669.db2.gz XKGJNCJENLMVIA-HOCLYGCPSA-N 1 3 330.428 2.175 10 0 EEAEHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000926290490 1206211539 /nfs/dbraw/zinc/21/15/39/1206211539.db2.gz OPZYVVXDDNLJAX-YCJFDJCISA-N 1 3 342.405 2.185 10 0 EEAEHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000926543122 1206226715 /nfs/dbraw/zinc/22/67/15/1206226715.db2.gz PZDOZUGLWPFWOG-VCNSRRRWSA-N 1 3 332.492 2.310 10 0 EEAEHO C[C@@H]1CN(C/C=C\C[N@H+]2Cc3c[nH]nc3[C@H](C)C2)Cc2c[nH]nc21 ZINC000931460186 1207386785 /nfs/dbraw/zinc/38/67/85/1207386785.db2.gz FGYDVFKEXCJGHY-JHZNUDOXSA-N 1 3 326.448 2.227 10 0 EEAEHO C[C@@H]1CN(C/C=C\C[N@@H+]2Cc3c[nH]nc3[C@H](C)C2)Cc2c[nH]nc21 ZINC000931460186 1207386789 /nfs/dbraw/zinc/38/67/89/1207386789.db2.gz FGYDVFKEXCJGHY-JHZNUDOXSA-N 1 3 326.448 2.227 10 0 EEAEHO CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000900915322 1234997184 /nfs/dbraw/zinc/99/71/84/1234997184.db2.gz OJUDIPBRRWTSRP-SFHVURJKSA-N 1 3 327.472 2.205 10 0 EEAEHO C[C@H](C(=O)N1CCSc2ccccc21)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496411 1240673278 /nfs/dbraw/zinc/67/32/78/1240673278.db2.gz MSQVSZXMIXEYHL-RBSFLKMASA-N 1 3 333.501 2.431 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CN(C)Cc2cccc(N(C)C)c2)cnn1C ZINC000903898528 1242389921 /nfs/dbraw/zinc/38/99/21/1242389921.db2.gz ORQKTPZSAXEAFL-KRWDZBQOSA-N 1 3 329.492 2.044 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@@H]2c2ccc(O)cc2)cnn1C ZINC000903904384 1242416818 /nfs/dbraw/zinc/41/68/18/1242416818.db2.gz TYXNWQRHWHWOGQ-DNVCBOLYSA-N 1 3 328.460 2.389 10 0 EEAEHO c1nnn([C@H]2CCC[NH2+]C2)c1CNCC[C@H]1CCc2ccccc2N1 ZINC000903931588 1242550328 /nfs/dbraw/zinc/55/03/28/1242550328.db2.gz FSSWLDDREPLONC-SJORKVTESA-N 1 3 340.475 2.109 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2cc(C)ccc2OC)CC[N@@H+]1C ZINC001491464161 1259105806 /nfs/dbraw/zinc/10/58/06/1259105806.db2.gz XAAXVFZRVPQHFZ-RYQLBKOJSA-N 1 3 347.503 2.328 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2cc(C)ccc2OC)CC[N@H+]1C ZINC001491464161 1259105809 /nfs/dbraw/zinc/10/58/09/1259105809.db2.gz XAAXVFZRVPQHFZ-RYQLBKOJSA-N 1 3 347.503 2.328 10 0 EEAEHO Cc1ncc(CN[C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)s1 ZINC001491505328 1259156691 /nfs/dbraw/zinc/15/66/91/1259156691.db2.gz VVEIHCCGEDHRGY-XJKSGUPXSA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1ncc(CN[C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)s1 ZINC001491505328 1259156695 /nfs/dbraw/zinc/15/66/95/1259156695.db2.gz VVEIHCCGEDHRGY-XJKSGUPXSA-N 1 3 338.521 2.166 10 0 EEAEHO CCCCOCC[N@@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001273445231 1278416229 /nfs/dbraw/zinc/41/62/29/1278416229.db2.gz JVTGWUXWJNZSBW-ZWKOTPCHSA-N 1 3 339.524 2.116 10 0 EEAEHO CCCCOCC[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001273445231 1278416233 /nfs/dbraw/zinc/41/62/33/1278416233.db2.gz JVTGWUXWJNZSBW-ZWKOTPCHSA-N 1 3 339.524 2.116 10 0 EEAEHO CCCCCC[C@](O)(C[N@@H+]1CCC[C@]2(CCN(C)C2)C1)C(=O)OC ZINC000852107672 1291995141 /nfs/dbraw/zinc/99/51/41/1291995141.db2.gz OAPSIIUYCLWAFN-MOPGFXCFSA-N 1 3 340.508 2.279 10 0 EEAEHO CCCCCC[C@](O)(C[N@H+]1CCC[C@]2(CCN(C)C2)C1)C(=O)OC ZINC000852107672 1291995148 /nfs/dbraw/zinc/99/51/48/1291995148.db2.gz OAPSIIUYCLWAFN-MOPGFXCFSA-N 1 3 340.508 2.279 10 0 EEAEHO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC000854734954 1292933199 /nfs/dbraw/zinc/93/31/99/1292933199.db2.gz GNAGFVHFFCQAPG-ROUUACIJSA-N 1 3 325.472 2.143 10 0 EEAEHO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC000854734954 1292933202 /nfs/dbraw/zinc/93/32/02/1292933202.db2.gz GNAGFVHFFCQAPG-ROUUACIJSA-N 1 3 325.472 2.143 10 0 EEAEHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000855899163 1293361280 /nfs/dbraw/zinc/36/12/80/1293361280.db2.gz HEEWVKOWJZNWNJ-CRAIPNDOSA-N 1 3 327.488 2.436 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1)N(C)C ZINC001490928323 1299584801 /nfs/dbraw/zinc/58/48/01/1299584801.db2.gz MGBZKBBIMIYNTO-CYDGBPFRSA-N 1 3 336.307 2.147 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cnc(C)cn1 ZINC001277362941 1302659172 /nfs/dbraw/zinc/65/91/72/1302659172.db2.gz OPWSXIJEJBBHDE-YJBOKZPZSA-N 1 3 347.507 2.034 10 0 EEAEHO CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC001413819109 1303143153 /nfs/dbraw/zinc/14/31/53/1303143153.db2.gz QLWKSFJRSZTZJM-KBAYOESNSA-N 1 3 332.492 2.413 10 0 EEAEHO CC[N@@H+](C)[C@@H]1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC001413819109 1303143156 /nfs/dbraw/zinc/14/31/56/1303143156.db2.gz QLWKSFJRSZTZJM-KBAYOESNSA-N 1 3 332.492 2.413 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)Nc2cccc(OCC[NH3+])c2)cc(Cl)n1 ZINC000841847595 1315622015 /nfs/dbraw/zinc/62/20/15/1315622015.db2.gz BFJRGBYQUXFTJV-HNNXBMFYSA-N 1 3 348.834 2.410 10 0 EEAEHO COCCCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC1(C)C ZINC001278667007 1317603998 /nfs/dbraw/zinc/60/39/98/1317603998.db2.gz KRAVGFGMHJDSTO-MRXNPFEDSA-N 1 3 341.540 2.218 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCCC[N@H+](Cc2ccccc2)C2CC2)C1 ZINC001265175891 1322967806 /nfs/dbraw/zinc/96/78/06/1322967806.db2.gz ONOIGOJJXIREHK-QGZVFWFLSA-N 1 3 329.488 2.499 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCCC[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001265175891 1322967808 /nfs/dbraw/zinc/96/78/08/1322967808.db2.gz ONOIGOJJXIREHK-QGZVFWFLSA-N 1 3 329.488 2.499 10 0 EEAEHO CCOCCCN1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001265287879 1323039516 /nfs/dbraw/zinc/03/95/16/1323039516.db2.gz JKISLISGROXGQU-SJLPKXTDSA-N 1 3 337.508 2.011 10 0 EEAEHO CCOCCCN1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001265287879 1323039524 /nfs/dbraw/zinc/03/95/24/1323039524.db2.gz JKISLISGROXGQU-SJLPKXTDSA-N 1 3 337.508 2.011 10 0 EEAEHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CCOC2CCC2)CCC1 ZINC001265673281 1323313141 /nfs/dbraw/zinc/31/31/41/1323313141.db2.gz BMBUTQMQDLJLIX-MRXNPFEDSA-N 1 3 337.508 2.011 10 0 EEAEHO Cc1cc(CNC2CCC(NC(=O)CCCC[NH+](C)C)CC2)on1 ZINC001265743408 1323360209 /nfs/dbraw/zinc/36/02/09/1323360209.db2.gz OMUSOJXIVSSLAP-UHFFFAOYSA-N 1 3 336.480 2.232 10 0 EEAEHO CN1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC001266203686 1323766912 /nfs/dbraw/zinc/76/69/12/1323766912.db2.gz HYXCFQYGEOECOW-ZBFHGGJFSA-N 1 3 336.505 2.098 10 0 EEAEHO CN1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1cncs1 ZINC001266203686 1323766915 /nfs/dbraw/zinc/76/69/15/1323766915.db2.gz HYXCFQYGEOECOW-ZBFHGGJFSA-N 1 3 336.505 2.098 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(OC)c2)C1)N(C)C ZINC001280198005 1324111022 /nfs/dbraw/zinc/11/10/22/1324111022.db2.gz MRJOUOANMHFPBR-APWZRJJASA-N 1 3 347.503 2.364 10 0 EEAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1=CCN(CCOC2CCC2)CC1 ZINC001284928937 1326780689 /nfs/dbraw/zinc/78/06/89/1326780689.db2.gz SDYLBAMTNFUADQ-GOSISDBHSA-N 1 3 349.519 2.178 10 0 EEAEHO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1=CCN(CCOC2CCC2)CC1 ZINC001284928937 1326780693 /nfs/dbraw/zinc/78/06/93/1326780693.db2.gz SDYLBAMTNFUADQ-GOSISDBHSA-N 1 3 349.519 2.178 10 0 EEAEHO Cc1cnc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CN(C)C(C)C)C2)s1 ZINC001491896163 1330294258 /nfs/dbraw/zinc/29/42/58/1330294258.db2.gz KVPZLRHBJIPQMR-CABCVRRESA-N 1 3 338.521 2.309 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)C[C@H](OC)C2CCC2)C1 ZINC001491958190 1330352264 /nfs/dbraw/zinc/35/22/64/1330352264.db2.gz 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Cc1nc(Cl)ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000823079413 787556595 /nfs/dbraw/zinc/55/65/95/787556595.db2.gz HOTJCEQQTQHWCS-LBPRGKRZSA-N 1 3 341.887 2.437 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711276706 788584399 /nfs/dbraw/zinc/58/43/99/788584399.db2.gz BQSJLOYXFUNUNF-FUHWJXTLSA-N 1 3 329.488 2.355 10 0 EEAEHO C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)c1cccnc1 ZINC000923170662 789048708 /nfs/dbraw/zinc/04/87/08/789048708.db2.gz LFKGFJOTTZZFTB-IRXDYDNUSA-N 1 3 347.507 2.246 10 0 EEAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2c3c(nn2C)CCOC3)C1 ZINC000921544756 789148813 /nfs/dbraw/zinc/14/88/13/789148813.db2.gz VNPLBAXJQINZRX-HZPDHXFCSA-N 1 3 334.508 2.341 10 0 EEAEHO O=S1(=O)Cc2ccccc2[C@H](NCCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923397385 789493552 /nfs/dbraw/zinc/49/35/52/789493552.db2.gz CTFRPOCOMUEGJR-NPVYPNSJSA-N 1 3 334.485 2.166 10 0 EEAEHO c1cn(C2CC2)c(C[NH2+]CCN2CCN(Cc3ccccc3)CC2)n1 ZINC000711784721 789616292 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10 0 EEAEHO CCCc1ccc(CN(C)CCNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001437540502 1089988952 /nfs/dbraw/zinc/98/89/52/1089988952.db2.gz CVZJEMQSIGPBPK-UHFFFAOYSA-N 1 3 329.488 2.283 10 0 EEAEHO COc1cc(CN(C)CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)ccc1C ZINC001437567614 1090047747 /nfs/dbraw/zinc/04/77/47/1090047747.db2.gz XPVSPSJEEDDYGA-IRXDYDNUSA-N 1 3 347.503 2.424 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)NCc1cnc(C)nc1 ZINC001438335840 1090810809 /nfs/dbraw/zinc/81/08/09/1090810809.db2.gz ACUBYGADLLZCLG-QAPCUYQASA-N 1 3 347.507 2.034 10 0 EEAEHO CC[C@H](C(=O)N[C@@](C)(C[NH2+]Cc1cccnc1C)C1CC1)N(C)C ZINC001438421695 1090915960 /nfs/dbraw/zinc/91/59/60/1090915960.db2.gz LHLWQMPBOWNPJU-MJGOQNOKSA-N 1 3 332.492 2.105 10 0 EEAEHO Cc1ccccc1OCCN(C)C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439404621 1092163388 /nfs/dbraw/zinc/16/33/88/1092163388.db2.gz UOEKYRIRDZLNMJ-QZTJIDSGSA-N 1 3 347.503 2.152 10 0 EEAEHO Cc1ccccc1OCCN(C)C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001439404621 1092163392 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CC(C)N(C)CC(=O)N1CCCC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001439828124 1092819436 /nfs/dbraw/zinc/81/94/36/1092819436.db2.gz JHPVJIHJUUSYCC-GOSISDBHSA-N 1 3 327.488 2.391 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@]2(CC[N@@H+](CCCF)C2)C1 ZINC001439828124 1092819445 /nfs/dbraw/zinc/81/94/45/1092819445.db2.gz JHPVJIHJUUSYCC-GOSISDBHSA-N 1 3 327.488 2.391 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1C[N@H+](CC2CC(C)C2)CCC1(F)F ZINC001439985096 1093103274 /nfs/dbraw/zinc/10/32/74/1093103274.db2.gz ZRPYXRGPGZRFGC-GPANFISMSA-N 1 3 345.478 2.448 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H]1C[N@@H+](CC2CC(C)C2)CCC1(F)F ZINC001439985096 1093103280 /nfs/dbraw/zinc/10/32/80/1093103280.db2.gz ZRPYXRGPGZRFGC-GPANFISMSA-N 1 3 345.478 2.448 10 0 EEAEHO CN(CCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)Cc1cccnc1 ZINC001440469870 1093695642 /nfs/dbraw/zinc/69/56/42/1093695642.db2.gz SDRBOQCSOODCGM-OALUTQOASA-N 1 3 346.519 2.482 10 0 EEAEHO Cc1ncsc1CN[C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001448649389 1093714362 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348.491 2.374 10 0 EEAEHO CC[N@H+](C)CCC(=O)NC1CC(CNCc2nc(C)c(C)s2)C1 ZINC001440761630 1094002992 /nfs/dbraw/zinc/00/29/92/1094002992.db2.gz TYULAODYRLYTGS-UHFFFAOYSA-N 1 3 338.521 2.086 10 0 EEAEHO CC[N@@H+](C)CCC(=O)NC1CC(CNCc2nc(C)c(C)s2)C1 ZINC001440761630 1094002997 /nfs/dbraw/zinc/00/29/97/1094002997.db2.gz TYULAODYRLYTGS-UHFFFAOYSA-N 1 3 338.521 2.086 10 0 EEAEHO COCc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001440791534 1094033593 /nfs/dbraw/zinc/03/35/93/1094033593.db2.gz FUYXLIBBRGPNQW-CVEARBPZSA-N 1 3 347.503 2.300 10 0 EEAEHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)NCc2cccnc2)CC1 ZINC001440837855 1094091423 /nfs/dbraw/zinc/09/14/23/1094091423.db2.gz PFHCMELAHSFFCP-HOTGVXAUSA-N 1 3 332.492 2.185 10 0 EEAEHO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)c(C)n1 ZINC001441837351 1095906302 /nfs/dbraw/zinc/90/63/02/1095906302.db2.gz PBCZJKFRRZDISC-CRAIPNDOSA-N 1 3 332.492 2.118 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCc2cc(C)ns2)C1 ZINC001441944244 1096143502 /nfs/dbraw/zinc/14/35/02/1096143502.db2.gz UMQVRHJBDSGORF-HUUCEWRRSA-N 1 3 338.521 2.168 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCc2cc(C)ns2)C1 ZINC001441944244 1096143504 /nfs/dbraw/zinc/14/35/04/1096143504.db2.gz UMQVRHJBDSGORF-HUUCEWRRSA-N 1 3 338.521 2.168 10 0 EEAEHO CC[N@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CC[C@H](C)F ZINC001442721738 1097094700 /nfs/dbraw/zinc/09/47/00/1097094700.db2.gz SIGMACKJXFQXHX-WMLDXEAASA-N 1 3 333.467 2.385 10 0 EEAEHO CC[N@@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CC[C@H](C)F ZINC001442721738 1097094707 /nfs/dbraw/zinc/09/47/07/1097094707.db2.gz SIGMACKJXFQXHX-WMLDXEAASA-N 1 3 333.467 2.385 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN(Cc3ccccc3F)C2)C1 ZINC001442909371 1097316221 /nfs/dbraw/zinc/31/62/21/1097316221.db2.gz UOJAKCTUJZPZFU-CVEARBPZSA-N 1 3 333.451 2.106 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN(Cc3ccccc3F)C2)C1 ZINC001442909371 1097316226 /nfs/dbraw/zinc/31/62/26/1097316226.db2.gz UOJAKCTUJZPZFU-CVEARBPZSA-N 1 3 333.451 2.106 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NCCN(CCc2cccs2)C2CC2)C1 ZINC001443041457 1097450515 /nfs/dbraw/zinc/45/05/15/1097450515.db2.gz BWTMZHMYXLIQKG-OAHLLOKOSA-N 1 3 335.517 2.213 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NCCN(CCc2cccs2)C2CC2)C1 ZINC001443041457 1097450516 /nfs/dbraw/zinc/45/05/16/1097450516.db2.gz BWTMZHMYXLIQKG-OAHLLOKOSA-N 1 3 335.517 2.213 10 0 EEAEHO CO[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)N2CCCC2)C1 ZINC001479691278 1098753807 /nfs/dbraw/zinc/75/38/07/1098753807.db2.gz XUZKMUXMNTZWEI-IRXDYDNUSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1ncc(CNC[C@@H](C)N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)s1 ZINC001444627485 1099453530 /nfs/dbraw/zinc/45/35/30/1099453530.db2.gz PMCQGVVKGXLAJB-UKRRQHHQSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1ncc(CNC[C@@H](C)N(C)C(=O)CC[C@H]2CCC[N@H+]2C)s1 ZINC001444627485 1099453533 /nfs/dbraw/zinc/45/35/33/1099453533.db2.gz PMCQGVVKGXLAJB-UKRRQHHQSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1ccc(C[NH2+][C@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)c(C)n1 ZINC001480024949 1099508699 /nfs/dbraw/zinc/50/86/99/1099508699.db2.gz ZAHZRZOOWTXTJC-GOSISDBHSA-N 1 3 344.503 2.167 10 0 EEAEHO Cc1cc(F)ccc1C[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C1CC1 ZINC001480065087 1099596618 /nfs/dbraw/zinc/59/66/18/1099596618.db2.gz FRYCMHGTOMLIGF-SFHVURJKSA-N 1 3 335.467 2.459 10 0 EEAEHO COc1ccc(C)cc1C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001480122664 1099686210 /nfs/dbraw/zinc/68/62/10/1099686210.db2.gz QJSSYAHUHBXELZ-KRWDZBQOSA-N 1 3 333.476 2.034 10 0 EEAEHO Cc1ccccc1CCC[N@@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001445080103 1100292401 /nfs/dbraw/zinc/29/24/01/1100292401.db2.gz CJIGNVDJEIFTQN-UHFFFAOYSA-N 1 3 331.504 2.414 10 0 EEAEHO Cc1ccccc1CCC[N@H+](C)CCN(C)C(=O)CN1CCCC1 ZINC001445080103 1100292407 /nfs/dbraw/zinc/29/24/07/1100292407.db2.gz CJIGNVDJEIFTQN-UHFFFAOYSA-N 1 3 331.504 2.414 10 0 EEAEHO O=C(N[C@@H]1CCC[C@H]1CNC/C(Cl)=C\Cl)C12CC[NH+](CC1)C2 ZINC001445100243 1100331276 /nfs/dbraw/zinc/33/12/76/1100331276.db2.gz AOFPCDVYPQYTOX-FWRQMEPDSA-N 1 3 346.302 2.276 10 0 EEAEHO O=C(NC1(CNCc2ccns2)CCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001495161043 1100833706 /nfs/dbraw/zinc/83/37/06/1100833706.db2.gz TUUGLFMTFVFUNW-INIZCTEOSA-N 1 3 348.516 2.004 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccns1 ZINC001496391071 1100983462 /nfs/dbraw/zinc/98/34/62/1100983462.db2.gz OVPOOTUUCWUHPA-ZBFHGGJFSA-N 1 3 336.505 2.098 10 0 EEAEHO C[C@](CNCc1ccccc1F)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001495295246 1100995687 /nfs/dbraw/zinc/99/56/87/1100995687.db2.gz YZLPVPSVCSXRLL-LJQANCHMSA-N 1 3 345.462 2.296 10 0 EEAEHO O=C(CN1CCCC1)N1CCC[C@@H](CC[NH2+]Cc2ccc(F)cn2)C1 ZINC001495394196 1101114750 /nfs/dbraw/zinc/11/47/50/1101114750.db2.gz WPFZQCSPLSVILV-INIZCTEOSA-N 1 3 348.466 2.035 10 0 EEAEHO Cc1ncccc1C[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C(C)C ZINC001496586844 1101188700 /nfs/dbraw/zinc/18/87/00/1101188700.db2.gz UBQPIJNEYJVPGX-GOSISDBHSA-N 1 3 346.519 2.495 10 0 EEAEHO CC(C)[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC1CC1 ZINC001496603663 1101203795 /nfs/dbraw/zinc/20/37/95/1101203795.db2.gz UGGJIEYVXNJSMH-QAPCUYQASA-N 1 3 327.488 2.339 10 0 EEAEHO CC(C)[C@@H](C(=O)NC[C@H](C)CNCc1nccs1)[NH+]1CCCC1 ZINC001495817320 1101637835 /nfs/dbraw/zinc/63/78/35/1101637835.db2.gz YHSTXEIJVSVKMC-ZBFHGGJFSA-N 1 3 338.521 2.105 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1([NH2+]CC[C@H]2CCCCO2)CCCC1 ZINC001495963382 1101840381 /nfs/dbraw/zinc/84/03/81/1101840381.db2.gz IARPEOOMERLWGL-QGZVFWFLSA-N 1 3 339.524 2.304 10 0 EEAEHO C[C@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)[C@H]1CCCN1C ZINC001496028722 1101952445 /nfs/dbraw/zinc/95/24/45/1101952445.db2.gz SXKMWNRNCBDKEL-CRAIPNDOSA-N 1 3 335.467 2.289 10 0 EEAEHO Cc1cncc(CN2CC[C@H]3[C@H]2CCCN3C(=O)CCC[NH+](C)C)c1 ZINC001447163114 1102115984 /nfs/dbraw/zinc/11/59/84/1102115984.db2.gz OCCKPKJOKPBDDD-MOPGFXCFSA-N 1 3 344.503 2.297 10 0 EEAEHO Cc1ccc(F)cc1C[NH2+]CC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001497272444 1102231531 /nfs/dbraw/zinc/23/15/31/1102231531.db2.gz QZUYABZDWMKUCB-HOCLYGCPSA-N 1 3 335.467 2.460 10 0 EEAEHO CCN(CCNCc1cncc(F)c1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001497501107 1102590084 /nfs/dbraw/zinc/59/00/84/1102590084.db2.gz OALREQUFFBZRGJ-GJZGRUSLSA-N 1 3 336.455 2.032 10 0 EEAEHO C[C@@H](F)CC[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001447780849 1103318177 /nfs/dbraw/zinc/31/81/77/1103318177.db2.gz LEAHGBACEXPLPD-SJORKVTESA-N 1 3 327.488 2.389 10 0 EEAEHO C[C@@H](F)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001447780849 1103318193 /nfs/dbraw/zinc/31/81/93/1103318193.db2.gz LEAHGBACEXPLPD-SJORKVTESA-N 1 3 327.488 2.389 10 0 EEAEHO COc1ccc(C)cc1CN[C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001447901626 1103553623 /nfs/dbraw/zinc/55/36/23/1103553623.db2.gz MCEXOMWVEKDWNZ-HOTGVXAUSA-N 1 3 347.503 2.328 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1)N(C)C ZINC001494319316 1103889024 /nfs/dbraw/zinc/88/90/24/1103889024.db2.gz FCXLSAPOFSGGEC-BZSNNMDCSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1)N(C)C ZINC001494319316 1103889031 /nfs/dbraw/zinc/88/90/31/1103889031.db2.gz FCXLSAPOFSGGEC-BZSNNMDCSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1)N(C)C ZINC001494324745 1103896465 /nfs/dbraw/zinc/89/64/65/1103896465.db2.gz FCXLSAPOFSGGEC-RCCFBDPRSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1)N(C)C ZINC001494324745 1103896475 /nfs/dbraw/zinc/89/64/75/1103896475.db2.gz FCXLSAPOFSGGEC-RCCFBDPRSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1cccc(C[NH+]2CC([C@H](C)NC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001448315117 1104372303 /nfs/dbraw/zinc/37/23/03/1104372303.db2.gz FCBNMEYONUQJMP-IRXDYDNUSA-N 1 3 329.488 2.273 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001480664572 1106845228 /nfs/dbraw/zinc/84/52/28/1106845228.db2.gz BHKKPMKXWQYDSK-GWDHXLPESA-N 1 3 329.488 2.478 10 0 EEAEHO Cc1ncc(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)C2(N(C)C)CCC2)o1 ZINC001498490530 1107626766 /nfs/dbraw/zinc/62/67/66/1107626766.db2.gz YTNOFUCYEDRDSZ-RDJZCZTQSA-N 1 3 348.491 2.232 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCCNCc1ccc(F)cn1 ZINC001498551393 1107708408 /nfs/dbraw/zinc/70/84/08/1107708408.db2.gz IMGIQHYCCXTDAE-QGZVFWFLSA-N 1 3 336.455 2.032 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCCNCc1ccc(F)cn1 ZINC001498551393 1107708425 /nfs/dbraw/zinc/70/84/25/1107708425.db2.gz IMGIQHYCCXTDAE-QGZVFWFLSA-N 1 3 336.455 2.032 10 0 EEAEHO CN(CCCNCc1ccc(F)cc1Cl)C(=O)CC[NH+](C)C ZINC001498607057 1107799633 /nfs/dbraw/zinc/79/96/33/1107799633.db2.gz SKHZIQVRTXFJBS-UHFFFAOYSA-N 1 3 329.847 2.369 10 0 EEAEHO CN(CC[NH2+]CC[C@H]1CCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001493498860 1108238121 /nfs/dbraw/zinc/23/81/21/1108238121.db2.gz DUQYRGKWWSRODM-IEBWSBKVSA-N 1 3 329.488 2.249 10 0 EEAEHO Cc1ccncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001479454160 1110697228 /nfs/dbraw/zinc/69/72/28/1110697228.db2.gz LEPYXHHBCYHDFR-FUHWJXTLSA-N 1 3 344.503 2.249 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CCOc2ccccc2)C1 ZINC001501152829 1113217297 /nfs/dbraw/zinc/21/72/97/1113217297.db2.gz FHNZIADONCIYHF-ZWKOTPCHSA-N 1 3 347.503 2.090 10 0 EEAEHO O=C(N1CCCC[C@H]1CNCC=C(Cl)Cl)C12CC[NH+](CC1)C2 ZINC001505410596 1113944909 /nfs/dbraw/zinc/94/49/09/1113944909.db2.gz FFWRHXXHDMNSSV-ZDUSSCGKSA-N 1 3 346.302 2.372 10 0 EEAEHO C[C@@H]([NH2+]CCOC1CCC1)[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001505606614 1114081717 /nfs/dbraw/zinc/08/17/17/1114081717.db2.gz UUCXEVUPBLCLLA-CVEARBPZSA-N 1 3 339.524 2.303 10 0 EEAEHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)NCc2ccccn2)CC1 ZINC001505725782 1114153442 /nfs/dbraw/zinc/15/34/42/1114153442.db2.gz XMHDXBOMCWBSLS-JKSUJKDBSA-N 1 3 332.492 2.185 10 0 EEAEHO CC[C@H](C(=O)N(C)[C@H](C[NH2+]CC=C(Cl)Cl)C1CC1)N(C)C ZINC001507032831 1115069408 /nfs/dbraw/zinc/06/94/08/1115069408.db2.gz BADXVAYIHQKMEW-CHWSQXEVSA-N 1 3 336.307 2.472 10 0 EEAEHO CCOCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001507401861 1115252114 /nfs/dbraw/zinc/25/21/14/1115252114.db2.gz PZLPKLFEPCOVEJ-DLBZAZTESA-N 1 3 339.524 2.162 10 0 EEAEHO Cc1nocc1CNCC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001568056635 1124261409 /nfs/dbraw/zinc/26/14/09/1124261409.db2.gz HVNNELLKACKOLM-SOLBZPMBSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1nocc1CNCC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001568056635 1124261411 /nfs/dbraw/zinc/26/14/11/1124261411.db2.gz HVNNELLKACKOLM-SOLBZPMBSA-N 1 3 348.491 2.042 10 0 EEAEHO CC[C@@H](C(=O)N1CCC(CC[NH2+]CC[C@H]2CCCO2)CC1)N(C)C ZINC001568093983 1124298255 /nfs/dbraw/zinc/29/82/55/1124298255.db2.gz MOINWVBOAGQJMH-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cccc(CCC[NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)c1 ZINC001568318454 1124418392 /nfs/dbraw/zinc/41/83/92/1124418392.db2.gz AUHRWYIBCNFTCR-SFHVURJKSA-N 1 3 331.504 2.460 10 0 EEAEHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCCc1ccccc1 ZINC001568366467 1124439968 /nfs/dbraw/zinc/43/99/68/1124439968.db2.gz XVNKODZCQRHJMS-QFBILLFUSA-N 1 3 340.471 2.412 10 0 EEAEHO Cc1ncoc1C[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001568386852 1124457213 /nfs/dbraw/zinc/45/72/13/1124457213.db2.gz LNADSTRYYWXLEF-QGZVFWFLSA-N 1 3 348.491 2.328 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001568826519 1124844597 /nfs/dbraw/zinc/84/45/97/1124844597.db2.gz CWZMTQWAUFAYLZ-MQQKUOPWSA-N 1 3 329.435 2.168 10 0 EEAEHO CCOCCC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1CC ZINC001569338812 1125239422 /nfs/dbraw/zinc/23/94/22/1125239422.db2.gz REPBHOGYDXVASF-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO CCCN1CC2(C[C@@H]1C(=O)N(C)Cc1ccccn1)CC[NH+](C)CC2 ZINC000072477749 216255830 /nfs/dbraw/zinc/25/58/30/216255830.db2.gz QWZKODCYGDQQQU-GOSISDBHSA-N 1 3 344.503 2.236 10 0 EEAEHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cnccc1N ZINC000423035926 240337934 /nfs/dbraw/zinc/33/79/34/240337934.db2.gz SKGNGRBMJLCLSY-QAPCUYQASA-N 1 3 340.471 2.302 10 0 EEAEHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cnccc1N ZINC000423035926 240337942 /nfs/dbraw/zinc/33/79/42/240337942.db2.gz SKGNGRBMJLCLSY-QAPCUYQASA-N 1 3 340.471 2.302 10 0 EEAEHO COC1([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CCOCC1 ZINC000453075374 243394965 /nfs/dbraw/zinc/39/49/65/243394965.db2.gz FCRHTNXQSNLMOD-BBWFWOEESA-N 1 3 328.497 2.050 10 0 EEAEHO C[C@@H](CN1CCCCC1)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000080338586 217298682 /nfs/dbraw/zinc/29/86/82/217298682.db2.gz GUFYDJXJVDDAJX-INIZCTEOSA-N 1 3 333.476 2.231 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000424631756 285246794 /nfs/dbraw/zinc/24/67/94/285246794.db2.gz AXSKVYMDXZWALY-BRWVUGGUSA-N 1 3 327.488 2.389 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000424631756 285246797 /nfs/dbraw/zinc/24/67/97/285246797.db2.gz AXSKVYMDXZWALY-BRWVUGGUSA-N 1 3 327.488 2.389 10 0 EEAEHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CC1CC[NH+](C)CC1 ZINC000273156795 256270909 /nfs/dbraw/zinc/27/09/09/256270909.db2.gz AWJSJVIJLHEWTA-UHFFFAOYSA-N 1 3 335.467 2.448 10 0 EEAEHO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000291511458 258012176 /nfs/dbraw/zinc/01/21/76/258012176.db2.gz XJLBSWJHJTWCSP-ROUUACIJSA-N 1 3 341.459 2.294 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]CC(C)(C)C(=O)NC)CC1 ZINC000120124720 159387594 /nfs/dbraw/zinc/38/75/94/159387594.db2.gz HVYRIAOAOCWQCQ-UHFFFAOYSA-N 1 3 346.519 2.080 10 0 EEAEHO COCCN(C)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245763175 160251844 /nfs/dbraw/zinc/25/18/44/160251844.db2.gz VXCYKNVFNOFEBW-OWZKRDHZSA-N 1 3 331.504 2.350 10 0 EEAEHO COCCN(C)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245763175 160251846 /nfs/dbraw/zinc/25/18/46/160251846.db2.gz VXCYKNVFNOFEBW-OWZKRDHZSA-N 1 3 331.504 2.350 10 0 EEAEHO COCCN(C)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245763175 160251847 /nfs/dbraw/zinc/25/18/47/160251847.db2.gz VXCYKNVFNOFEBW-OWZKRDHZSA-N 1 3 331.504 2.350 10 0 EEAEHO CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000248452405 160346974 /nfs/dbraw/zinc/34/69/74/160346974.db2.gz YQQOOHDHXPOWLW-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000248452405 160346976 /nfs/dbraw/zinc/34/69/76/160346976.db2.gz YQQOOHDHXPOWLW-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO C[C@H](NC(=O)N1CCN2CCC1CC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000367914267 166019423 /nfs/dbraw/zinc/01/94/23/166019423.db2.gz BIIFZDSTHQLSIK-HOTGVXAUSA-N 1 3 334.508 2.129 10 0 EEAEHO C[C@H](NC(=O)N1CCN2CCC1CC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000367914267 166019424 /nfs/dbraw/zinc/01/94/24/166019424.db2.gz BIIFZDSTHQLSIK-HOTGVXAUSA-N 1 3 334.508 2.129 10 0 EEAEHO C[C@H](NC(=O)c1ccccc1OCCN(C)C)C(C)(C)C[NH+](C)C ZINC000359796080 164173516 /nfs/dbraw/zinc/17/35/16/164173516.db2.gz LLDLOMBWKTYNJI-HNNXBMFYSA-N 1 3 335.492 2.333 10 0 EEAEHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCCC[C@H]3N)cn2)C[C@@H](C)O1 ZINC000422882979 274363561 /nfs/dbraw/zinc/36/35/61/274363561.db2.gz PUYKDFPEFHUHDS-JOCBIADPSA-N 1 3 332.492 2.445 10 0 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Cc1ccccc1C[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663737602 471497032 /nfs/dbraw/zinc/49/70/32/471497032.db2.gz XEMAPGISMCLELH-ROUUACIJSA-N 1 3 348.535 2.497 10 0 EEAEHO Cc1ccccc1C[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663737602 471497035 /nfs/dbraw/zinc/49/70/35/471497035.db2.gz XEMAPGISMCLELH-ROUUACIJSA-N 1 3 348.535 2.497 10 0 EEAEHO C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N(C)Cc1ccccc1 ZINC000653119172 471497274 /nfs/dbraw/zinc/49/72/74/471497274.db2.gz AENCCPPIWFZQQC-NWANDNLSSA-N 1 3 343.393 2.021 10 0 EEAEHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483591 471514660 /nfs/dbraw/zinc/51/46/60/471514660.db2.gz CAKPVKOUPIIWCR-RYQLBKOJSA-N 1 3 330.476 2.345 10 0 EEAEHO CC(C)N(C)C[C@@H](O)C[N@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000660899799 471543468 /nfs/dbraw/zinc/54/34/68/471543468.db2.gz FLQJEDUFCUDNKL-UXHICEINSA-N 1 3 334.504 2.351 10 0 EEAEHO CC(C)N(C)C[C@@H](O)C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000660899799 471543475 /nfs/dbraw/zinc/54/34/75/471543475.db2.gz FLQJEDUFCUDNKL-UXHICEINSA-N 1 3 334.504 2.351 10 0 EEAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C[NH3+])C(F)(F)F)N(C)C ZINC000655927865 471544859 /nfs/dbraw/zinc/54/48/59/471544859.db2.gz IWDUORXHBLMFLD-YUTCNCBUSA-N 1 3 346.397 2.175 10 0 EEAEHO C[NH2+]Cc1cccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)c1 ZINC000659305052 471573875 /nfs/dbraw/zinc/57/38/75/471573875.db2.gz YHYHAWQZHRKAQS-UONOGXRCSA-N 1 3 346.349 2.329 10 0 EEAEHO C[NH2+]CCc1ccccc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659369809 471594795 /nfs/dbraw/zinc/59/47/95/471594795.db2.gz UMZWHKMOQMSYDY-LJQANCHMSA-N 1 3 339.439 2.362 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000659443337 471631600 /nfs/dbraw/zinc/63/16/00/471631600.db2.gz ZUHOONMDYKAHRF-BPQIPLTHSA-N 1 3 332.492 2.495 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1nc(C2CCOCC2)ns1 ZINC000664196288 471672787 /nfs/dbraw/zinc/67/27/87/471672787.db2.gz RJPGHWSPRWNSQM-ZDUSSCGKSA-N 1 3 341.525 2.116 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1nc(C2CCOCC2)ns1 ZINC000664196288 471672791 /nfs/dbraw/zinc/67/27/91/471672791.db2.gz RJPGHWSPRWNSQM-ZDUSSCGKSA-N 1 3 341.525 2.116 10 0 EEAEHO CCN(C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)[C@@H]1CCN(CC)C1 ZINC000664498795 471770894 /nfs/dbraw/zinc/77/08/94/471770894.db2.gz OHUKFDKDCGCEBB-QZTJIDSGSA-N 1 3 338.540 2.480 10 0 EEAEHO CCN(C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CCN(CC)C1 ZINC000664498795 471770899 /nfs/dbraw/zinc/77/08/99/471770899.db2.gz OHUKFDKDCGCEBB-QZTJIDSGSA-N 1 3 338.540 2.480 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)CC(F)(F)F ZINC000667455522 471784509 /nfs/dbraw/zinc/78/45/09/471784509.db2.gz SVCSTMCGNDBVAH-UHFFFAOYSA-N 1 3 340.434 2.100 10 0 EEAEHO CCN(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000664540001 471787448 /nfs/dbraw/zinc/78/74/48/471787448.db2.gz IASLATAAVAYEKW-KSZLIROESA-N 1 3 330.476 2.167 10 0 EEAEHO CCN(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)[C@H]1CC[N@@H+](C)C1 ZINC000664540001 471787456 /nfs/dbraw/zinc/78/74/56/471787456.db2.gz IASLATAAVAYEKW-KSZLIROESA-N 1 3 330.476 2.167 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000664818220 471870333 /nfs/dbraw/zinc/87/03/33/471870333.db2.gz DTYVCSUGLXAMLG-LSDHHAIUSA-N 1 3 348.482 2.383 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000664818220 471870339 /nfs/dbraw/zinc/87/03/39/471870339.db2.gz DTYVCSUGLXAMLG-LSDHHAIUSA-N 1 3 348.482 2.383 10 0 EEAEHO COc1ccc([C@H]2CCCN2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1OC ZINC000662249374 472041631 /nfs/dbraw/zinc/04/16/31/472041631.db2.gz ULWRTAYNZBGQDX-JKSUJKDBSA-N 1 3 332.444 2.362 10 0 EEAEHO CCC[C@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CCN1Cc1ccccc1 ZINC000662281150 472055456 /nfs/dbraw/zinc/05/54/56/472055456.db2.gz UDLIURKZRFZPHP-VQTJNVASSA-N 1 3 343.515 2.494 10 0 EEAEHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)NCCCc1ccccc1 ZINC000662295310 472059863 /nfs/dbraw/zinc/05/98/63/472059863.db2.gz PRWNFVJQXGSVOJ-HXUWFJFHSA-N 1 3 343.515 2.447 10 0 EEAEHO COc1cc(C)ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665639100 472120195 /nfs/dbraw/zinc/12/01/95/472120195.db2.gz MFJFFKJGFKUYEW-HNNXBMFYSA-N 1 3 336.480 2.397 10 0 EEAEHO COc1cc(C)ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665639100 472120201 /nfs/dbraw/zinc/12/02/01/472120201.db2.gz MFJFFKJGFKUYEW-HNNXBMFYSA-N 1 3 336.480 2.397 10 0 EEAEHO CC1(C)CN(C(=O)[C@H]2CC[NH2+]2)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000662755144 472236769 /nfs/dbraw/zinc/23/67/69/472236769.db2.gz CDWXORBNJXORMX-RTBURBONSA-N 1 3 341.499 2.498 10 0 EEAEHO CN(Cc1ccccc1)C[C@H](O)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000673856002 485557422 /nfs/dbraw/zinc/55/74/22/485557422.db2.gz ICXYBXAFXWEVQR-SFTDATJTSA-N 1 3 345.531 2.143 10 0 EEAEHO CN(Cc1ccccc1)C[C@H](O)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000673856002 485557432 /nfs/dbraw/zinc/55/74/32/485557432.db2.gz ICXYBXAFXWEVQR-SFTDATJTSA-N 1 3 345.531 2.143 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000665637625 485613043 /nfs/dbraw/zinc/61/30/43/485613043.db2.gz JFXKRVUTCRDHND-FUHWJXTLSA-N 1 3 347.507 2.200 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000665637625 485613047 /nfs/dbraw/zinc/61/30/47/485613047.db2.gz JFXKRVUTCRDHND-FUHWJXTLSA-N 1 3 347.507 2.200 10 0 EEAEHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000629545012 485732295 /nfs/dbraw/zinc/73/22/95/485732295.db2.gz PCUOSXOERLDRDQ-JTOWHCCKSA-N 1 3 341.455 2.324 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000675092333 485900408 /nfs/dbraw/zinc/90/04/08/485900408.db2.gz WVFKREBAYBOCBG-NXHRZFHOSA-N 1 3 330.476 2.043 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(C)C2)C[N@H+]1Cc1ccccc1 ZINC000675092333 485900414 /nfs/dbraw/zinc/90/04/14/485900414.db2.gz WVFKREBAYBOCBG-NXHRZFHOSA-N 1 3 330.476 2.043 10 0 EEAEHO CN1CCC[C@@H](NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000685048140 486073564 /nfs/dbraw/zinc/07/35/64/486073564.db2.gz JPUBGWANAVIKCP-QGZVFWFLSA-N 1 3 336.524 2.426 10 0 EEAEHO C[C@H]1C[C@@H](N(C)C(=O)NCc2cccc(C[NH+](C)C)c2)CCN1C ZINC000173946644 534093692 /nfs/dbraw/zinc/09/36/92/534093692.db2.gz BUVWIGCAHCUHHW-YJBOKZPZSA-N 1 3 332.492 2.372 10 0 EEAEHO C[N@@H+]1C[C@@H]2CN([C@@H]3CCCN(Cc4ccccc4)C3=O)C[C@]2(C)C1 ZINC000933735972 676840928 /nfs/dbraw/zinc/84/09/28/676840928.db2.gz PINKJCKBGCSOKN-GGPKGHCWSA-N 1 3 327.472 2.061 10 0 EEAEHO C[N@H+]1C[C@@H]2CN([C@@H]3CCCN(Cc4ccccc4)C3=O)C[C@]2(C)C1 ZINC000933735972 676840930 /nfs/dbraw/zinc/84/09/30/676840930.db2.gz PINKJCKBGCSOKN-GGPKGHCWSA-N 1 3 327.472 2.061 10 0 EEAEHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000895266433 684411150 /nfs/dbraw/zinc/41/11/50/684411150.db2.gz LDSXTLIHRHGNCE-DNVCBOLYSA-N 1 3 348.466 2.331 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCCCF)C[C@H]21 ZINC001485601576 1191856694 /nfs/dbraw/zinc/85/66/94/1191856694.db2.gz OVFVHNQBMZMNBR-ZJPYXAASSA-N 1 3 339.499 2.293 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCCCF)C[C@H]21 ZINC001485601576 1191856695 /nfs/dbraw/zinc/85/66/95/1191856695.db2.gz OVFVHNQBMZMNBR-ZJPYXAASSA-N 1 3 339.499 2.293 10 0 EEAEHO Cc1cccnc1CN1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001266545286 1176804569 /nfs/dbraw/zinc/80/45/69/1176804569.db2.gz OUAJSSMLZSGFOK-KRWDZBQOSA-N 1 3 332.492 2.060 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2ccc(Cl)nc2)CC[N@@H+]1C ZINC001266939788 1177854559 /nfs/dbraw/zinc/85/45/59/1177854559.db2.gz OMRZKUSWOPGVQR-AEGPPILISA-N 1 3 338.883 2.060 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2ccc(Cl)nc2)CC[N@H+]1C ZINC001266939788 1177854565 /nfs/dbraw/zinc/85/45/65/1177854565.db2.gz OMRZKUSWOPGVQR-AEGPPILISA-N 1 3 338.883 2.060 10 0 EEAEHO CN(CCNCc1cccc(F)c1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001691360091 1177967531 /nfs/dbraw/zinc/96/75/31/1177967531.db2.gz OAQNAFFRRPZFOZ-MSOLQXFVSA-N 1 3 333.451 2.391 10 0 EEAEHO CN(CCNCc1cccc(F)c1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001691360091 1177967540 /nfs/dbraw/zinc/96/75/40/1177967540.db2.gz OAQNAFFRRPZFOZ-MSOLQXFVSA-N 1 3 333.451 2.391 10 0 EEAEHO CCCN(C)CC(=O)N1CCC2(C[NH+](CCCCCF)C2)CC1 ZINC001698812262 1177989424 /nfs/dbraw/zinc/98/94/24/1177989424.db2.gz YETUTTRULNKPEN-UHFFFAOYSA-N 1 3 327.488 2.392 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001266995612 1178052620 /nfs/dbraw/zinc/05/26/20/1178052620.db2.gz VMADJEKUGCYJOY-ZFWWWQNUSA-N 1 3 338.883 2.204 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]CC/C=C\c2ccccc2)C1 ZINC001267059417 1178169538 /nfs/dbraw/zinc/16/95/38/1178169538.db2.gz WPYDHTOQCPDTGC-MSEQUDFZSA-N 1 3 338.455 2.494 10 0 EEAEHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCN(C)Cc1ccc2c(c1)COC2 ZINC001480951304 1179118131 /nfs/dbraw/zinc/11/81/31/1179118131.db2.gz WECGGIDDHFYFRM-HOTGVXAUSA-N 1 3 345.487 2.138 10 0 EEAEHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001481462215 1181459182 /nfs/dbraw/zinc/45/91/82/1181459182.db2.gz RIQZTOYSKRVDPK-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001481462215 1181459188 /nfs/dbraw/zinc/45/91/88/1181459188.db2.gz RIQZTOYSKRVDPK-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc2c(c1)CCC2 ZINC001268427084 1182595830 /nfs/dbraw/zinc/59/58/30/1182595830.db2.gz UUAWIJOGOSTOFC-INIZCTEOSA-N 1 3 331.504 2.500 10 0 EEAEHO CCN(CC[NH2+]CC1CCOCC1)C(=O)[C@@H]1CCCCN1C(C)C ZINC001268482704 1182943757 /nfs/dbraw/zinc/94/37/57/1182943757.db2.gz WEAVWPOXUJQPSU-SFHVURJKSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ncoc1CNC[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001481963353 1183037780 /nfs/dbraw/zinc/03/77/80/1183037780.db2.gz VRNUDIVONSRDND-KBXCAEBGSA-N 1 3 336.480 2.089 10 0 EEAEHO Cc1ncc(CN2CCC(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001482041890 1183212607 /nfs/dbraw/zinc/21/26/07/1183212607.db2.gz ACIRWHJFVDCVPS-RDTXWAMCSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1ncc(CN2CCC(CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001482041890 1183212612 /nfs/dbraw/zinc/21/26/12/1183212612.db2.gz ACIRWHJFVDCVPS-RDTXWAMCSA-N 1 3 348.491 2.042 10 0 EEAEHO CN(C)C1(C(=O)NC/C=C\C[NH2+]Cc2ccc3c(c2)CCC3)CCC1 ZINC001268550310 1183234034 /nfs/dbraw/zinc/23/40/34/1183234034.db2.gz OCUASYYNGWJCMG-ARJAWSKDSA-N 1 3 341.499 2.422 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC/C=C/C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001268620437 1183537928 /nfs/dbraw/zinc/53/79/28/1183537928.db2.gz WXIHIVQXPCPKRE-JDGPPOGSSA-N 1 3 345.274 2.107 10 0 EEAEHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNCc1cncc(C)c1 ZINC001268630127 1183555373 /nfs/dbraw/zinc/55/53/73/1183555373.db2.gz FXZWVORQXQNBGE-OOFWQKGWSA-N 1 3 330.476 2.026 10 0 EEAEHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNCc1cncc(C)c1 ZINC001268630127 1183555377 /nfs/dbraw/zinc/55/53/77/1183555377.db2.gz FXZWVORQXQNBGE-OOFWQKGWSA-N 1 3 330.476 2.026 10 0 EEAEHO Cc1cc(F)ccc1C[NH2+]CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001268848226 1183764100 /nfs/dbraw/zinc/76/41/00/1183764100.db2.gz UOLFISMJSAMXQT-OAHLLOKOSA-N 1 3 335.467 2.414 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCCc2ccc(C)cc2)CC1 ZINC001269526637 1184351058 /nfs/dbraw/zinc/35/10/58/1184351058.db2.gz SINABSOMJXXCIV-UHFFFAOYSA-N 1 3 340.471 2.440 10 0 EEAEHO CC[C@@H](C(=O)N1CCC2(C[NH+](CCCCCF)C2)CC1)N(C)C ZINC001482245567 1184657882 /nfs/dbraw/zinc/65/78/82/1184657882.db2.gz IXSUZLZQUBRFAQ-INIZCTEOSA-N 1 3 327.488 2.391 10 0 EEAEHO C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)N(C)C(=O)Cc1c[nH]cn1 ZINC001482335061 1185425959 /nfs/dbraw/zinc/42/59/59/1185425959.db2.gz GNROLWOTBUSOHQ-ZDUSSCGKSA-N 1 3 334.851 2.285 10 0 EEAEHO COc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)ccc1C ZINC001482365234 1185521726 /nfs/dbraw/zinc/52/17/26/1185521726.db2.gz SYNLCLUXQHJPAR-MRXNPFEDSA-N 1 3 333.476 2.036 10 0 EEAEHO C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1CNCCF ZINC001482501783 1186418808 /nfs/dbraw/zinc/41/88/08/1186418808.db2.gz UAFCTOGLBNRKLF-SJORKVTESA-N 1 3 327.488 2.439 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1cnn(C(C)(C)C)c1)NC(=O)CN(C)C1CCC1 ZINC001482840321 1187759644 /nfs/dbraw/zinc/75/96/44/1187759644.db2.gz UCKXGQGNQPXBAQ-HNNXBMFYSA-N 1 3 349.523 2.107 10 0 EEAEHO CCN(CC[NH2+]Cc1ccc(Cl)nc1)C(=O)[C@@H]1CCCCN1C ZINC001482945144 1187875650 /nfs/dbraw/zinc/87/56/50/1187875650.db2.gz YYDBPILJHSGPGI-HNNXBMFYSA-N 1 3 338.883 2.157 10 0 EEAEHO CC(C)c1cccc(CNC[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)n1 ZINC001483143882 1188750948 /nfs/dbraw/zinc/75/09/48/1188750948.db2.gz GYDAJIUVLYNNOI-MRXNPFEDSA-N 1 3 344.503 2.428 10 0 EEAEHO Cc1ncc(C[NH2+]CC(C)(C)CN(C)C(=O)C2(N(C)C)CCC2)o1 ZINC001409456492 1189705218 /nfs/dbraw/zinc/70/52/18/1189705218.db2.gz SYMTZNRCTIZZHR-UHFFFAOYSA-N 1 3 336.480 2.042 10 0 EEAEHO C[C@H](C[N@H+](C)Cc1cccc(N(C)C)c1)NC(=O)CN(C)C1CCC1 ZINC001483347866 1190383886 /nfs/dbraw/zinc/38/38/86/1190383886.db2.gz OKBCPURFRGYDJQ-MRXNPFEDSA-N 1 3 346.519 2.173 10 0 EEAEHO C[C@H](C[N@@H+](C)Cc1cccc(N(C)C)c1)NC(=O)CN(C)C1CCC1 ZINC001483347866 1190383893 /nfs/dbraw/zinc/38/38/93/1190383893.db2.gz OKBCPURFRGYDJQ-MRXNPFEDSA-N 1 3 346.519 2.173 10 0 EEAEHO Cc1ccc(OCC[N@@H+](C)C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)cc1 ZINC001483385430 1190434851 /nfs/dbraw/zinc/43/48/51/1190434851.db2.gz WIRDUYOMPZUWPK-ZWKOTPCHSA-N 1 3 347.503 2.152 10 0 EEAEHO Cc1ccc(OCC[N@H+](C)C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)cc1 ZINC001483385430 1190434853 /nfs/dbraw/zinc/43/48/53/1190434853.db2.gz WIRDUYOMPZUWPK-ZWKOTPCHSA-N 1 3 347.503 2.152 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001483565307 1190554528 /nfs/dbraw/zinc/55/45/28/1190554528.db2.gz SWOUVUAZIHQACI-KGLIPLIRSA-N 1 3 335.414 2.298 10 0 EEAEHO CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1csc(C)n1 ZINC001483619810 1190601115 /nfs/dbraw/zinc/60/11/15/1190601115.db2.gz DPGCXWXKBGVXSS-GDBMZVCRSA-N 1 3 338.521 2.120 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2cc(C)ns2)C1 ZINC001484122472 1191222180 /nfs/dbraw/zinc/22/21/80/1191222180.db2.gz GHOZLTRAVLGLNJ-QGZVFWFLSA-N 1 3 338.521 2.122 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2cnoc2C)C1 ZINC001484551557 1191410640 /nfs/dbraw/zinc/41/06/40/1191410640.db2.gz LPLIYXCWNCMTNM-AEFFLSMTSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ccccc1OCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001485155145 1191667876 /nfs/dbraw/zinc/66/78/76/1191667876.db2.gz IQYQGNMIFVIOCR-IAGOWNOFSA-N 1 3 347.503 2.341 10 0 EEAEHO Cc1ccc(F)c(CN[C@@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001485192211 1191686959 /nfs/dbraw/zinc/68/69/59/1191686959.db2.gz ZJAZKFHHAQFFPK-GJZGRUSLSA-N 1 3 335.467 2.459 10 0 EEAEHO CC(C)N(CCN(C)CCc1ccccc1F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001486380012 1193891573 /nfs/dbraw/zinc/89/15/73/1193891573.db2.gz VPDYVRHYRDCUES-GOSISDBHSA-N 1 3 349.494 2.489 10 0 EEAEHO CC(C)N(CCN(C)CCc1ccccc1F)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001486380012 1193891579 /nfs/dbraw/zinc/89/15/79/1193891579.db2.gz VPDYVRHYRDCUES-GOSISDBHSA-N 1 3 349.494 2.489 10 0 EEAEHO Cc1oncc1CNC1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001486482972 1193997239 /nfs/dbraw/zinc/99/72/39/1193997239.db2.gz AKPJVLZXNQEPQX-DAWZGUTISA-N 1 3 348.491 2.182 10 0 EEAEHO COc1ccccc1[C@H]1CSCCCN1CCN1CC[NH2+]CC1 ZINC000872157643 1198062660 /nfs/dbraw/zinc/06/26/60/1198062660.db2.gz PAXFNOVRKQCOLU-QGZVFWFLSA-N 1 3 335.517 2.080 10 0 EEAEHO CC(C)(O)C[C@H](O)CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000872205906 1198085661 /nfs/dbraw/zinc/08/56/61/1198085661.db2.gz LIXATEDZLALYJJ-FUMNGEBKSA-N 1 3 346.515 2.399 10 0 EEAEHO CC(C)(O)C[C@H](O)CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000872205906 1198085667 /nfs/dbraw/zinc/08/56/67/1198085667.db2.gz LIXATEDZLALYJJ-FUMNGEBKSA-N 1 3 346.515 2.399 10 0 EEAEHO CC(C)(O)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000872205906 1198085674 /nfs/dbraw/zinc/08/56/74/1198085674.db2.gz LIXATEDZLALYJJ-FUMNGEBKSA-N 1 3 346.515 2.399 10 0 EEAEHO C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H](NC/C(Cl)=C/Cl)[C@@H]2C1 ZINC001410924224 1198588041 /nfs/dbraw/zinc/58/80/41/1198588041.db2.gz MMSAAAQBLIVBPY-AZLYDMOWSA-N 1 3 348.318 2.474 10 0 EEAEHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1)N(C)C ZINC000874511736 1198911942 /nfs/dbraw/zinc/91/19/42/1198911942.db2.gz ZSOMVKLQOBWLRZ-NLWGTHIKSA-N 1 3 329.488 2.307 10 0 EEAEHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1)N(C)C ZINC000874511736 1198911944 /nfs/dbraw/zinc/91/19/44/1198911944.db2.gz ZSOMVKLQOBWLRZ-NLWGTHIKSA-N 1 3 329.488 2.307 10 0 EEAEHO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925521865 1206122419 /nfs/dbraw/zinc/12/24/19/1206122419.db2.gz KQKJCGSLWXMLQK-BHIYHBOVSA-N 1 3 328.504 2.057 10 0 EEAEHO CC1(C)[C@H]([NH2+]CCCn2cc(Br)cn2)[C@@H]2CCCN[C@@H]21 ZINC000925671747 1206142585 /nfs/dbraw/zinc/14/25/85/1206142585.db2.gz FNJCXUNTUMDBGZ-HZSPNIEDSA-N 1 3 341.297 2.402 10 0 EEAEHO COc1ccc(CN2CCCC[C@@H]2CNC(=O)CC[NH+](C)C)cc1C ZINC001491225824 1258810201 /nfs/dbraw/zinc/81/02/01/1258810201.db2.gz QBDWVUURBJWBGK-GOSISDBHSA-N 1 3 347.503 2.426 10 0 EEAEHO C/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCCOC)CC1 ZINC001273598261 1280784353 /nfs/dbraw/zinc/78/43/53/1280784353.db2.gz ACRNKUKKXZHMBI-CWNLKTMVSA-N 1 3 349.519 2.129 10 0 EEAEHO CCCCOCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001273777168 1285439546 /nfs/dbraw/zinc/43/95/46/1285439546.db2.gz YBXPRSWQLRDJAD-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO CC(C)OCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001273841359 1286676515 /nfs/dbraw/zinc/67/65/15/1286676515.db2.gz SKHMZTUDVTZKFL-LJQANCHMSA-N 1 3 348.491 2.082 10 0 EEAEHO CC(C)OCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001273841359 1286676530 /nfs/dbraw/zinc/67/65/30/1286676530.db2.gz SKHMZTUDVTZKFL-LJQANCHMSA-N 1 3 348.491 2.082 10 0 EEAEHO COCCC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001489341257 1290527057 /nfs/dbraw/zinc/52/70/57/1290527057.db2.gz CQYQNQKNVGFWSI-INIZCTEOSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001489341257 1290527059 /nfs/dbraw/zinc/52/70/59/1290527059.db2.gz CQYQNQKNVGFWSI-INIZCTEOSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000855163385 1293095449 /nfs/dbraw/zinc/09/54/49/1293095449.db2.gz XDUZPXMKVYCJGC-RDTXWAMCSA-N 1 3 327.488 2.436 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000855163385 1293095456 /nfs/dbraw/zinc/09/54/56/1293095456.db2.gz XDUZPXMKVYCJGC-RDTXWAMCSA-N 1 3 327.488 2.436 10 0 EEAEHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CNCC=C(Cl)Cl)C1 ZINC001277942217 1305213815 /nfs/dbraw/zinc/21/38/15/1305213815.db2.gz WDJVEGRREROEKT-STQMWFEESA-N 1 3 334.291 2.228 10 0 EEAEHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNCC=C(Cl)Cl)C1 ZINC001277942217 1305213818 /nfs/dbraw/zinc/21/38/18/1305213818.db2.gz WDJVEGRREROEKT-STQMWFEESA-N 1 3 334.291 2.228 10 0 EEAEHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001277995665 1305630079 /nfs/dbraw/zinc/63/00/79/1305630079.db2.gz UBARBZKQEGKKND-ZDUSSCGKSA-N 1 3 326.872 2.013 10 0 EEAEHO Cc1cccnc1CN[C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001278315731 1309359241 /nfs/dbraw/zinc/35/92/41/1309359241.db2.gz MMNYEVMLIDZRPV-IAGOWNOFSA-N 1 3 332.492 2.201 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCOc2ccccc2C)C[C@@H]1C ZINC001278416619 1310168188 /nfs/dbraw/zinc/16/81/88/1310168188.db2.gz ORJNFDYFZDCLDZ-ROUUACIJSA-N 1 3 347.503 2.295 10 0 EEAEHO CN(C)Cc1cccc(C(=O)N(C)CCC[NH2+]Cc2cccnc2)c1 ZINC001276399095 1314735136 /nfs/dbraw/zinc/73/51/36/1314735136.db2.gz IDWZYNLTXRJXSV-UHFFFAOYSA-N 1 3 340.471 2.395 10 0 EEAEHO CCOC(=O)CC(C)(C)CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000839097568 1315201061 /nfs/dbraw/zinc/20/10/61/1315201061.db2.gz SKQVDAAUHZWHAW-KRWDZBQOSA-N 1 3 339.524 2.066 10 0 EEAEHO CCOC(=O)CC(C)(C)CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000839097568 1315201063 /nfs/dbraw/zinc/20/10/63/1315201063.db2.gz SKQVDAAUHZWHAW-KRWDZBQOSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NCc2ccc(C[NH3+])cc2)cc(Cl)n1 ZINC000843512027 1315926825 /nfs/dbraw/zinc/92/68/25/1315926825.db2.gz FBKZCJUCYJLKCQ-OAHLLOKOSA-N 1 3 332.835 2.208 10 0 EEAEHO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCC(C)(C)C)N1CCCCCC1 ZINC001278817716 1318200685 /nfs/dbraw/zinc/20/06/85/1318200685.db2.gz TVVFSPSAMPMVEP-SJORKVTESA-N 1 3 341.540 2.096 10 0 EEAEHO Cc1cc(CNCC[C@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)on1 ZINC001264518487 1322722913 /nfs/dbraw/zinc/72/29/13/1322722913.db2.gz SPJUKYJPBVJPRS-PBHICJAKSA-N 1 3 336.480 2.042 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NCCCN(C)Cc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC001264987961 1322836409 /nfs/dbraw/zinc/83/64/09/1322836409.db2.gz SIFWZULDBFGICK-UKRRQHHQSA-N 1 3 339.430 2.243 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NCCCN(C)Cc2ccc(F)c(F)c2)CC[N@H+]1C ZINC001264987961 1322836415 /nfs/dbraw/zinc/83/64/15/1322836415.db2.gz SIFWZULDBFGICK-UKRRQHHQSA-N 1 3 339.430 2.243 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)NCCCN(C)Cc2ncccc2C)C1 ZINC001265026209 1322869874 /nfs/dbraw/zinc/86/98/74/1322869874.db2.gz XJHOSTIQCZMCHG-SFHVURJKSA-N 1 3 346.519 2.450 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)NCCCN(C)Cc2ncccc2C)C1 ZINC001265026209 1322869877 /nfs/dbraw/zinc/86/98/77/1322869877.db2.gz XJHOSTIQCZMCHG-SFHVURJKSA-N 1 3 346.519 2.450 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccc(Cl)nc2)C1 ZINC001265456051 1323165323 /nfs/dbraw/zinc/16/53/23/1323165323.db2.gz DSHISEUIPRESHA-HNNXBMFYSA-N 1 3 338.883 2.157 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccc(Cl)nc2)C1 ZINC001265456051 1323165328 /nfs/dbraw/zinc/16/53/28/1323165328.db2.gz DSHISEUIPRESHA-HNNXBMFYSA-N 1 3 338.883 2.157 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCOc2cc(C)cc(C)c2)C1)N(C)C ZINC001265558152 1323219467 /nfs/dbraw/zinc/21/94/67/1323219467.db2.gz OOVOUVOYSKIRCK-SCTDSRPQSA-N 1 3 347.503 2.259 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCOC(C)C ZINC001265692072 1323324750 /nfs/dbraw/zinc/32/47/50/1323324750.db2.gz YAOOJCYGRQIXKU-QZTJIDSGSA-N 1 3 339.524 2.257 10 0 EEAEHO CN(CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CCC(F)(F)F ZINC001265954391 1323516852 /nfs/dbraw/zinc/51/68/52/1323516852.db2.gz POUPUMNZPFLWKZ-KGLIPLIRSA-N 1 3 337.430 2.497 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001279184173 1323847532 /nfs/dbraw/zinc/84/75/32/1323847532.db2.gz UYYGNMYAIPLFFX-PKOBYXMFSA-N 1 3 331.504 2.255 10 0 EEAEHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C(F)(F)F ZINC001284375933 1326527173 /nfs/dbraw/zinc/52/71/73/1326527173.db2.gz VDJARKZBHJDYSB-OCCSQVGLSA-N 1 3 344.381 2.145 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H](NCc2ccc(F)cc2F)C1 ZINC001317124447 1332087726 /nfs/dbraw/zinc/08/77/26/1332087726.db2.gz MORPJWQMGHBQNW-IYBDPMFKSA-N 1 3 339.430 2.434 10 0 EEAEHO CCCCOCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317174752 1332113969 /nfs/dbraw/zinc/11/39/69/1332113969.db2.gz VXWBSDXIJMCHMM-KZNAEPCWSA-N 1 3 339.524 2.114 10 0 EEAEHO CCCCOCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317174752 1332113970 /nfs/dbraw/zinc/11/39/70/1332113970.db2.gz VXWBSDXIJMCHMM-KZNAEPCWSA-N 1 3 339.524 2.114 10 0 EEAEHO C[NH+](C)CCCCC(=O)N[C@@H]1CCCN(CC2CC(F)(F)C2)C1 ZINC001317949593 1332449232 /nfs/dbraw/zinc/44/92/32/1332449232.db2.gz HBDLKEIDWOKEFW-OAHLLOKOSA-N 1 3 331.451 2.344 10 0 EEAEHO CCN(CCNCc1ccnc(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320736791 1332942877 /nfs/dbraw/zinc/94/28/77/1332942877.db2.gz GUOBNWHAPHDKBA-UKRRQHHQSA-N 1 3 338.883 2.013 10 0 EEAEHO CCN(CCNCc1ccnc(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001320736791 1332942879 /nfs/dbraw/zinc/94/28/79/1332942879.db2.gz GUOBNWHAPHDKBA-UKRRQHHQSA-N 1 3 338.883 2.013 10 0 EEAEHO CCN(CC[NH2+]C[C@H]1CCCOC1)C(=O)[C@H]1CCCCN1C(C)C ZINC001320861981 1332966975 /nfs/dbraw/zinc/96/69/75/1332966975.db2.gz DVAHVTDVAAJSPO-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@@H](F)CN1C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001325954742 1334005215 /nfs/dbraw/zinc/00/52/15/1334005215.db2.gz FNBOBUYRKWZTIV-GVDBMIGSSA-N 1 3 327.488 2.389 10 0 EEAEHO CCCCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001330552713 1334869512 /nfs/dbraw/zinc/86/95/12/1334869512.db2.gz XRVJBNSJLBOCHU-QGZVFWFLSA-N 1 3 348.491 2.130 10 0 EEAEHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CCc3ccccc3F)C2)C1 ZINC001330657242 1334883471 /nfs/dbraw/zinc/88/34/71/1334883471.db2.gz XCGKQLKWCZBMLZ-BQFCYCMXSA-N 1 3 347.478 2.194 10 0 EEAEHO C[C@H]1C[C@H]([NH2+]CCCCC2CCOCC2)CN1C(=O)Cc1c[nH]cn1 ZINC001332027751 1335709176 /nfs/dbraw/zinc/70/91/76/1335709176.db2.gz NBKAJISNKRGMKY-YJBOKZPZSA-N 1 3 348.491 2.128 10 0 EEAEHO CN(C)CCN(Cc1ccccn1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001433674037 1341655511 /nfs/dbraw/zinc/65/55/11/1341655511.db2.gz QILHPDGXWUKDKU-WMZOPIPTSA-N 1 3 332.492 2.092 10 0 EEAEHO C[C@H](CC[NH2+]CCc1ccccc1F)NC(=O)CN1CC[C@H](C)C1 ZINC001668214685 1355900802 /nfs/dbraw/zinc/90/08/02/1355900802.db2.gz NGRHGNWFLLZXAI-JKSUJKDBSA-N 1 3 335.467 2.194 10 0 EEAEHO Cc1ncc(CNC[C@@]2(C)CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)o1 ZINC001500372757 1342181410 /nfs/dbraw/zinc/18/14/10/1342181410.db2.gz UCEFCNHOYFQKAP-URLQWDBASA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1ncc(CNC[C@@]2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)o1 ZINC001500372757 1342181414 /nfs/dbraw/zinc/18/14/14/1342181414.db2.gz UCEFCNHOYFQKAP-URLQWDBASA-N 1 3 348.491 2.042 10 0 EEAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCC[C@H]1CCOC1 ZINC001567016613 1342679735 /nfs/dbraw/zinc/67/97/35/1342679735.db2.gz JMVFXRJQMXIDSR-IRXDYDNUSA-N 1 3 339.524 2.162 10 0 EEAEHO CC/C=C/CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001570976452 1343144914 /nfs/dbraw/zinc/14/49/14/1343144914.db2.gz CBOZVLAGDGZKSJ-NGHLMZTLSA-N 1 3 337.508 2.033 10 0 EEAEHO C[NH+](C)CCC(=O)N1C[C@@H](NCc2ccnc(Cl)c2)C(C)(C)C1 ZINC001571564213 1343238333 /nfs/dbraw/zinc/23/83/33/1343238333.db2.gz ZLVJPLKGGCMAGM-CQSZACIVSA-N 1 3 338.883 2.013 10 0 EEAEHO C[C@@H]1C[C@H]([NH2+]CCCc2ccccc2)CN1C(=O)Cc1c[nH]cn1 ZINC001676762824 1357195640 /nfs/dbraw/zinc/19/56/40/1357195640.db2.gz OKSBRHAJWXRYAX-QAPCUYQASA-N 1 3 326.444 2.164 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCOc2ccc(C)cc2)C[C@@H]1C ZINC001676775860 1357198394 /nfs/dbraw/zinc/19/83/94/1357198394.db2.gz VTXGNBQGZNWSPN-ROUUACIJSA-N 1 3 347.503 2.295 10 0 EEAEHO C[C@@H](NC(=O)CN1CCCC2(CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC001649850271 1353626240 /nfs/dbraw/zinc/62/62/40/1353626240.db2.gz ULCQBISXBVFDIN-OAHLLOKOSA-N 1 3 333.451 2.469 10 0 EEAEHO CCOC(=O)C[C@@](C)([NH2+]CCCN1CCN(C(C)C)CC1)C(C)C ZINC001658369006 1354359474 /nfs/dbraw/zinc/35/94/74/1354359474.db2.gz LOQKOLLXPYPAGW-LJQANCHMSA-N 1 3 341.540 2.360 10 0 EEAEHO Cc1ccc(C)c(OCC[NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001662239133 1354767483 /nfs/dbraw/zinc/76/74/83/1354767483.db2.gz MNGMVAUSOHCUQC-KRWDZBQOSA-N 1 3 347.503 2.261 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@](C)(C[NH2+]CCc1cccs1)C1CC1 ZINC001666038207 1355430095 /nfs/dbraw/zinc/43/00/95/1355430095.db2.gz UEESYFLEMVBQPI-SFHVURJKSA-N 1 3 346.500 2.439 10 0 EEAEHO C[C@H](C[NH2+]CCCc1ccccc1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001666991956 1355628438 /nfs/dbraw/zinc/62/84/38/1355628438.db2.gz JBCXKDMRDQHPDH-QZTJIDSGSA-N 1 3 331.504 2.398 10 0 EEAEHO CC(C)COCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001667239009 1355683214 /nfs/dbraw/zinc/68/32/14/1355683214.db2.gz RMJMYDLULSTBDD-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2CC[NH2+]Cc2cccnc2)C1 ZINC001667284385 1355697955 /nfs/dbraw/zinc/69/79/55/1355697955.db2.gz KMIVFKUMIQTTNY-PKOBYXMFSA-N 1 3 344.503 2.284 10 0 EEAEHO C[C@@H](CCNCc1cc(F)ccc1Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001668310042 1355920791 /nfs/dbraw/zinc/92/07/91/1355920791.db2.gz PQZPXTRERIHFJB-STQMWFEESA-N 1 3 341.858 2.415 10 0 EEAEHO C[C@@H](CCNCc1cc(F)ccc1Cl)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001668310042 1355920792 /nfs/dbraw/zinc/92/07/92/1355920792.db2.gz PQZPXTRERIHFJB-STQMWFEESA-N 1 3 341.858 2.415 10 0 EEAEHO CC[C@H](F)CNC/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668863899 1356026496 /nfs/dbraw/zinc/02/64/96/1356026496.db2.gz AFFMXRGEUWHGET-KAWBWNIXSA-N 1 3 325.472 2.404 10 0 EEAEHO CC[C@H](F)CNC/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001668863899 1356026499 /nfs/dbraw/zinc/02/64/99/1356026499.db2.gz AFFMXRGEUWHGET-KAWBWNIXSA-N 1 3 325.472 2.404 10 0 EEAEHO CC[C@H](F)CNC/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001668863901 1356026961 /nfs/dbraw/zinc/02/69/61/1356026961.db2.gz AFFMXRGEUWHGET-RDTQODSXSA-N 1 3 325.472 2.404 10 0 EEAEHO CC[C@H](F)CNC/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001668863901 1356026964 /nfs/dbraw/zinc/02/69/64/1356026964.db2.gz AFFMXRGEUWHGET-RDTQODSXSA-N 1 3 325.472 2.404 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C/C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001669189317 1356120445 /nfs/dbraw/zinc/12/04/45/1356120445.db2.gz MTICJLOIKSIZIK-RTLBZRNLSA-N 1 3 341.499 2.464 10 0 EEAEHO CCC1([NH2+]CCOC(C)C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001673614392 1356717912 /nfs/dbraw/zinc/71/79/12/1356717912.db2.gz XIJAQTRRILFVPE-KRWDZBQOSA-N 1 3 339.524 2.114 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@]2(CC[N@@H+](CCCCCF)C2)C1 ZINC001673650151 1356727068 /nfs/dbraw/zinc/72/70/68/1356727068.db2.gz FPTLCUIFVKGWJK-GOSISDBHSA-N 1 3 336.455 2.407 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@]2(CC[N@H+](CCCCCF)C2)C1 ZINC001673650151 1356727069 /nfs/dbraw/zinc/72/70/69/1356727069.db2.gz FPTLCUIFVKGWJK-GOSISDBHSA-N 1 3 336.455 2.407 10 0 EEAEHO COCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C(C)(C)C1 ZINC001674019494 1356775350 /nfs/dbraw/zinc/77/53/50/1356775350.db2.gz YQCLNBJKNXDSRY-DLBZAZTESA-N 1 3 339.524 2.112 10 0 EEAEHO COCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C(C)(C)C1 ZINC001674019494 1356775355 /nfs/dbraw/zinc/77/53/55/1356775355.db2.gz YQCLNBJKNXDSRY-DLBZAZTESA-N 1 3 339.524 2.112 10 0 EEAEHO C[N@@H+]1CC2(C[C@H]1C(=O)N1CCCC1)CCN(Cc1ccoc1)CC2 ZINC000675011988 769029970 /nfs/dbraw/zinc/02/99/70/769029970.db2.gz XPMOUBVUTRBVBG-KRWDZBQOSA-N 1 3 331.460 2.188 10 0 EEAEHO C[N@H+]1CC2(C[C@H]1C(=O)N1CCCC1)CCN(Cc1ccoc1)CC2 ZINC000675011988 769029980 /nfs/dbraw/zinc/02/99/80/769029980.db2.gz XPMOUBVUTRBVBG-KRWDZBQOSA-N 1 3 331.460 2.188 10 0 EEAEHO CN1CC2(C[C@H]1C(=O)N1CCCC1)CC[NH+](Cc1ccoc1)CC2 ZINC000675011988 769029991 /nfs/dbraw/zinc/02/99/91/769029991.db2.gz XPMOUBVUTRBVBG-KRWDZBQOSA-N 1 3 331.460 2.188 10 0 EEAEHO COCc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000822994771 787506972 /nfs/dbraw/zinc/50/69/72/787506972.db2.gz FBFDCCGBYWPWQS-HNNXBMFYSA-N 1 3 336.480 2.227 10 0 EEAEHO COCc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000822994771 787506975 /nfs/dbraw/zinc/50/69/75/787506975.db2.gz FBFDCCGBYWPWQS-HNNXBMFYSA-N 1 3 336.480 2.227 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N2CCC[N@H+](C(C)C)CC2)cc(Cl)n1 ZINC000844203093 788923494 /nfs/dbraw/zinc/92/34/94/788923494.db2.gz AFLVMYOREXGJRH-HNNXBMFYSA-N 1 3 338.883 2.376 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N2CCC[N@@H+](C(C)C)CC2)cc(Cl)n1 ZINC000844203093 788923485 /nfs/dbraw/zinc/92/34/85/788923485.db2.gz AFLVMYOREXGJRH-HNNXBMFYSA-N 1 3 338.883 2.376 10 0 EEAEHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1cncc(Br)c1)CC2 ZINC000923452380 789584815 /nfs/dbraw/zinc/58/48/15/789584815.db2.gz QKJGSEVAZCWODF-CQSZACIVSA-N 1 3 340.265 2.174 10 0 EEAEHO CCCOc1cccc(CNC(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923498926 789681423 /nfs/dbraw/zinc/68/14/23/789681423.db2.gz QWWAQLJHLAZZOU-DOTOQJQBSA-N 1 3 333.476 2.008 10 0 EEAEHO CN(C)[C@H]1CCOc2c(NC(=S)NC3CC[NH+](C)CC3)cccc21 ZINC000788347413 807484317 /nfs/dbraw/zinc/48/43/17/807484317.db2.gz YFSUKNRYTGDBPJ-INIZCTEOSA-N 1 3 348.516 2.452 10 0 EEAEHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC001566226240 1125591481 /nfs/dbraw/zinc/59/14/81/1125591481.db2.gz MNTIHNXDYWNKDG-XMTFNYHQSA-N 1 3 339.524 2.112 10 0 EEAEHO CC[C@H](C(=O)N(C)C1CC[NH+](C[C@H](OC)C2CCC2)CC1)N(C)C ZINC001436670419 1088110480 /nfs/dbraw/zinc/11/04/80/1088110480.db2.gz WUDWZUMFCGIIET-MSOLQXFVSA-N 1 3 339.524 2.065 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCc2c(C)noc2C)C2CC2)CC[N@@H+]1C ZINC001436794703 1088364268 /nfs/dbraw/zinc/36/42/68/1088364268.db2.gz XWLPNOYLVUCTNB-CGTJXYLNSA-N 1 3 348.491 2.006 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCc2c(C)noc2C)C2CC2)CC[N@H+]1C ZINC001436794703 1088364280 /nfs/dbraw/zinc/36/42/80/1088364280.db2.gz XWLPNOYLVUCTNB-CGTJXYLNSA-N 1 3 348.491 2.006 10 0 EEAEHO Cc1nc(C)c(CN2CCC[C@H](CNC(=O)CC[NH+](C)C)C2)s1 ZINC001437009762 1088785747 /nfs/dbraw/zinc/78/57/47/1088785747.db2.gz ZLFWKCVAMAQSEH-OAHLLOKOSA-N 1 3 338.521 2.040 10 0 EEAEHO C[C@H](CCNC(=O)[C@@H]1CCCN1C)[NH2+]Cc1cc(F)ccc1F ZINC001437375807 1089621105 /nfs/dbraw/zinc/62/11/05/1089621105.db2.gz OSSPIUBBBQJIEA-WBMJQRKESA-N 1 3 325.403 2.043 10 0 EEAEHO C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1cc(C2CC2)no1 ZINC001437394826 1089650882 /nfs/dbraw/zinc/65/08/82/1089650882.db2.gz BKHJWILADJJSJH-DZKIICNBSA-N 1 3 348.491 2.267 10 0 EEAEHO C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1cc(C2CC2)no1 ZINC001437394826 1089650893 /nfs/dbraw/zinc/65/08/93/1089650893.db2.gz BKHJWILADJJSJH-DZKIICNBSA-N 1 3 348.491 2.267 10 0 EEAEHO CCN(C/C=C/c1ccccc1)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001437638651 1090155839 /nfs/dbraw/zinc/15/58/39/1090155839.db2.gz LLQFQCUWBAKCAP-VQFGERMISA-N 1 3 329.488 2.480 10 0 EEAEHO CCN(C/C=C/c1ccccc1)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001437638651 1090155841 /nfs/dbraw/zinc/15/58/41/1090155841.db2.gz LLQFQCUWBAKCAP-VQFGERMISA-N 1 3 329.488 2.480 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NCC[C@H]2CCN(Cc3ccccc3F)C2)CC[N@@H+]1C ZINC001437914194 1090497087 /nfs/dbraw/zinc/49/70/87/1090497087.db2.gz CHOZHYKUMDHYIC-SOLBZPMBSA-N 1 3 347.478 2.494 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NCC[C@H]2CCN(Cc3ccccc3F)C2)CC[N@H+]1C ZINC001437914194 1090497089 /nfs/dbraw/zinc/49/70/89/1090497089.db2.gz CHOZHYKUMDHYIC-SOLBZPMBSA-N 1 3 347.478 2.494 10 0 EEAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1(NCc2ccccn2)CCCC1 ZINC001438595610 1091085643 /nfs/dbraw/zinc/08/56/43/1091085643.db2.gz HXZCOSBWJFOUQB-SFHVURJKSA-N 1 3 344.503 2.475 10 0 EEAEHO C[N@H+]1CCC[C@H]1CCC(=O)NCC1(NCc2ccccn2)CCCC1 ZINC001438595610 1091085647 /nfs/dbraw/zinc/08/56/47/1091085647.db2.gz HXZCOSBWJFOUQB-SFHVURJKSA-N 1 3 344.503 2.475 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccnc1C ZINC001438716240 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347.478 2.479 10 0 EEAEHO CC(C)N(C)CC(=O)NCC1([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC001439678084 1092619020 /nfs/dbraw/zinc/61/90/20/1092619020.db2.gz QJURXMYJHXTBJR-UHFFFAOYSA-N 1 3 337.895 2.461 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1CC[C@@]2(C1)CN(C[C@@H](C)CC)CCO2 ZINC001448399407 1093402566 /nfs/dbraw/zinc/40/25/66/1093402566.db2.gz WDDFGQZKLFSXMF-HKUYNNGSSA-N 1 3 339.524 2.068 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1CC[C@@]2(C1)CN(C[C@@H](C)CC)CCO2 ZINC001448399407 1093402569 /nfs/dbraw/zinc/40/25/69/1093402569.db2.gz WDDFGQZKLFSXMF-HKUYNNGSSA-N 1 3 339.524 2.068 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](CNCc2cnoc2C)C2CC2)CC[N@@H+]1C ZINC001448584276 1093640287 /nfs/dbraw/zinc/64/02/87/1093640287.db2.gz PTESLQQUVPWUBQ-RCCFBDPRSA-N 1 3 348.491 2.040 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](CNCc2cnoc2C)C2CC2)CC[N@H+]1C ZINC001448584276 1093640295 /nfs/dbraw/zinc/64/02/95/1093640295.db2.gz PTESLQQUVPWUBQ-RCCFBDPRSA-N 1 3 348.491 2.040 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)COC2 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332.492 2.166 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@H](C)C1CCN(Cc2cnccc2C)CC1 ZINC001442204596 1096489606 /nfs/dbraw/zinc/48/96/06/1096489606.db2.gz ORTYCKMGBNVOBN-QGZVFWFLSA-N 1 3 346.519 2.449 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@H](C)C1CCN(Cc2cnccc2C)CC1 ZINC001442204596 1096489608 /nfs/dbraw/zinc/48/96/08/1096489608.db2.gz ORTYCKMGBNVOBN-QGZVFWFLSA-N 1 3 346.519 2.449 10 0 EEAEHO CC(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C(F)(F)F ZINC001442219742 1096515237 /nfs/dbraw/zinc/51/52/37/1096515237.db2.gz AWDIQLVCFKSEMX-ZIAGYGMSSA-N 1 3 346.397 2.367 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)NCc1ccns1 ZINC001444032309 1098552022 /nfs/dbraw/zinc/55/20/22/1098552022.db2.gz JAGWKUKOWONIRY-GDBMZVCRSA-N 1 3 338.521 2.248 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)C[C@H]1CC(C)(C)CO1 ZINC001444980747 1100106347 /nfs/dbraw/zinc/10/63/47/1100106347.db2.gz UJHRFEQIAOBNAA-IAGOWNOFSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)C[C@H]1CC(C)(C)CO1 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/nfs/dbraw/zinc/01/27/62/1103012762.db2.gz NGFKGGBDPDRHPR-OAHLLOKOSA-N 1 3 338.521 2.120 10 0 EEAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CCc1ccccc1F ZINC001447874846 1103492065 /nfs/dbraw/zinc/49/20/65/1103492065.db2.gz UISOQVAPLQTSLE-GJZGRUSLSA-N 1 3 335.467 2.335 10 0 EEAEHO COc1ccc(C)cc1CN[C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001447901630 1103554139 /nfs/dbraw/zinc/55/41/39/1103554139.db2.gz MCEXOMWVEKDWNZ-JKSUJKDBSA-N 1 3 347.503 2.328 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(COC)c1 ZINC001497994264 1106754234 /nfs/dbraw/zinc/75/42/34/1106754234.db2.gz YZOHMQSFZIYBRT-VQIMIIECSA-N 1 3 347.503 2.302 10 0 EEAEHO C[C@@H](C[NH2+]CCc1ccccc1Cl)NC(=O)CN1CC[C@@H](C)C1 ZINC001498118666 1106944779 /nfs/dbraw/zinc/94/47/79/1106944779.db2.gz VSBZTXJKNXIDEV-CABCVRRESA-N 1 3 337.895 2.319 10 0 EEAEHO Cc1nocc1CN[C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001480769950 1107081190 /nfs/dbraw/zinc/08/11/90/1107081190.db2.gz ICNJBVVWEOBJLI-KDOFPFPSSA-N 1 3 348.491 2.374 10 0 EEAEHO Cc1nocc1CN[C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001480769950 1107081204 /nfs/dbraw/zinc/08/12/04/1107081204.db2.gz ICNJBVVWEOBJLI-KDOFPFPSSA-N 1 3 348.491 2.374 10 0 EEAEHO CCN(CCC(F)(F)F)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001470774144 1110512214 /nfs/dbraw/zinc/51/22/14/1110512214.db2.gz WSEMHOAODHVLSM-ZDUSSCGKSA-N 1 3 340.434 2.242 10 0 EEAEHO CCN(CCC(F)(F)F)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001470774144 1110512216 /nfs/dbraw/zinc/51/22/16/1110512216.db2.gz WSEMHOAODHVLSM-ZDUSSCGKSA-N 1 3 340.434 2.242 10 0 EEAEHO Cc1nc(C)c(CN[C@H]2C[C@@H](CNC(=O)CC[C@H]3CCC[N@H+]3C)C2)o1 ZINC001479301157 1110677918 /nfs/dbraw/zinc/67/79/18/1110677918.db2.gz CRNIJDZHBYQFPY-IXDOHACOSA-N 1 3 348.491 2.150 10 0 EEAEHO Cc1nc(C)c(CN[C@H]2C[C@@H](CNC(=O)CC[C@H]3CCC[N@@H+]3C)C2)o1 ZINC001479301157 1110677919 /nfs/dbraw/zinc/67/79/19/1110677919.db2.gz CRNIJDZHBYQFPY-IXDOHACOSA-N 1 3 348.491 2.150 10 0 EEAEHO C[C@H](NC1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1)c1ccc(F)cc1 ZINC001499227881 1112188567 /nfs/dbraw/zinc/18/85/67/1112188567.db2.gz APYGSMUFUAJHFH-KSSFIOAISA-N 1 3 345.462 2.467 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC2([NH2+]CCC3CC3)CC2)C1 ZINC001499352802 1112246294 /nfs/dbraw/zinc/24/62/94/1112246294.db2.gz SPSMXXDZGWAHEY-SFHVURJKSA-N 1 3 325.472 2.237 10 0 EEAEHO CC(C)OCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001505606620 1114082044 /nfs/dbraw/zinc/08/20/44/1114082044.db2.gz UXWBJQPOGPLGQM-HZPDHXFCSA-N 1 3 327.513 2.159 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]C[C@H]2CC[C@H](C)O2)CCCCC1 ZINC001506521106 1114670499 /nfs/dbraw/zinc/67/04/99/1114670499.db2.gz BGSMVJDEUJEOOP-GOEBONIOSA-N 1 3 348.491 2.237 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCCCO2)CC1(C)C ZINC001506748929 1114862748 /nfs/dbraw/zinc/86/27/48/1114862748.db2.gz AYJFUGZLMYAFFY-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCCCO2)CC1(C)C ZINC001506748929 1114862749 /nfs/dbraw/zinc/86/27/49/1114862749.db2.gz AYJFUGZLMYAFFY-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@@H]2[C@H]3C[N@@H+](CC4=CCCCC4)C[C@H]32)C1 ZINC001506809050 1114889398 /nfs/dbraw/zinc/88/93/98/1114889398.db2.gz GEHLUWVTEBVALH-OWYHZJEWSA-N 1 3 331.504 2.123 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@@H]2[C@H]3C[N@H+](CC4=CCCCC4)C[C@H]32)C1 ZINC001506809050 1114889401 /nfs/dbraw/zinc/88/94/01/1114889401.db2.gz GEHLUWVTEBVALH-OWYHZJEWSA-N 1 3 331.504 2.123 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+]Cc2ccns2)CC1 ZINC001568098398 1124301866 /nfs/dbraw/zinc/30/18/66/1124301866.db2.gz UNSILCADEOXDLB-UHFFFAOYSA-N 1 3 338.521 2.202 10 0 EEAEHO C[C@H](C(=O)NC/C=C/CNCc1cccnc1)[NH+]1CCCCCC1 ZINC001568927982 1124957728 /nfs/dbraw/zinc/95/77/28/1124957728.db2.gz FVBWREOAPXCZJN-LAQIPUCWSA-N 1 3 330.476 2.108 10 0 EEAEHO CC(C)[C@H](C(=O)NC/C=C\CNCc1ccnc(Cl)c1)[NH+](C)C ZINC001568952053 1124986693 /nfs/dbraw/zinc/98/66/93/1124986693.db2.gz YAQCVPGDCBFCEH-OGZRUICASA-N 1 3 338.883 2.083 10 0 EEAEHO CC[NH+]1CCC(N(C)c2ncc(Br)cc2CNC)CC1 ZINC000051489669 214095045 /nfs/dbraw/zinc/09/50/45/214095045.db2.gz NQNNYTQESMAONH-UHFFFAOYSA-N 1 3 341.297 2.484 10 0 EEAEHO CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cnn(C)c1C1CC1)N[C@]2(CO)CC(C)C ZINC000065422233 214905358 /nfs/dbraw/zinc/90/53/58/214905358.db2.gz FDZAFZAATVSONG-RMJJICAUSA-N 1 3 346.519 2.287 10 0 EEAEHO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cnn(C)c1C1CC1)N[C@]2(CO)CC(C)C ZINC000065422233 214905360 /nfs/dbraw/zinc/90/53/60/214905360.db2.gz FDZAFZAATVSONG-RMJJICAUSA-N 1 3 346.519 2.287 10 0 EEAEHO CCN1CCC(Nc2nccnc2NC2CC[NH+](CC)CC2)CC1 ZINC000165174761 539542125 /nfs/dbraw/zinc/54/21/25/539542125.db2.gz UUUKWUVQQFGPCI-UHFFFAOYSA-N 1 3 332.496 2.269 10 0 EEAEHO C[C@H]1C[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CN1C1CC1 ZINC000130204478 291135578 /nfs/dbraw/zinc/13/55/78/291135578.db2.gz JAGXIQWGMGNDON-RDJZCZTQSA-N 1 3 334.508 2.129 10 0 EEAEHO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)C[C@H](C)N)CC2)cc1 ZINC000422710270 240186464 /nfs/dbraw/zinc/18/64/64/240186464.db2.gz FNZOUKYLDNNWGS-LSDHHAIUSA-N 1 3 333.476 2.405 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/nfs/dbraw/zinc/20/18/39/152201839.db2.gz JANZPXLQEUHDRE-KSZLIROESA-N 1 3 334.508 2.010 10 0 EEAEHO CCC[C@H](C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C)[NH+](C)C ZINC000245900108 160256159 /nfs/dbraw/zinc/25/61/59/160256159.db2.gz TXJUCFVOKNXBNW-KBAYOESNSA-N 1 3 332.492 2.139 10 0 EEAEHO CC[NH+](CC)CCSCC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000345502213 161306529 /nfs/dbraw/zinc/30/65/29/161306529.db2.gz HFVQHJJKHHHVAJ-HOTGVXAUSA-N 1 3 329.554 2.441 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)NCC[N@H+](CC)C(C)C)cc2)CC1 ZINC000346138734 161360589 /nfs/dbraw/zinc/36/05/89/161360589.db2.gz QBFFBXKAIKUAJD-UHFFFAOYSA-N 1 3 346.519 2.289 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)NCC[N@@H+](CC)C(C)C)cc2)CC1 ZINC000346138734 161360590 /nfs/dbraw/zinc/36/05/90/161360590.db2.gz QBFFBXKAIKUAJD-UHFFFAOYSA-N 1 3 346.519 2.289 10 0 EEAEHO CC(C)(C)[C@@H](O)CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000289357454 275111229 /nfs/dbraw/zinc/11/12/29/275111229.db2.gz GWAGGAKLBXQQPN-PMACEKPBSA-N 1 3 345.531 2.286 10 0 EEAEHO CC(C)(C)[C@@H](O)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000289357454 275111230 /nfs/dbraw/zinc/11/12/30/275111230.db2.gz GWAGGAKLBXQQPN-PMACEKPBSA-N 1 3 345.531 2.286 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000292114100 275378307 /nfs/dbraw/zinc/37/83/07/275378307.db2.gz KDKCAPNWJVBYCO-VQIMIIECSA-N 1 3 329.488 2.498 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000292114087 275378350 /nfs/dbraw/zinc/37/83/50/275378350.db2.gz KDKCAPNWJVBYCO-APWZRJJASA-N 1 3 329.488 2.498 10 0 EEAEHO C[C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)N1CCC(C)CC1 ZINC000375667873 278202280 /nfs/dbraw/zinc/20/22/80/278202280.db2.gz AGIWTNKANJMXRX-WWDZGPRUSA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@@H]1C[C@@H](NCC2(N3CCCCC3)CC[NH+](C)CC2)c2nccn21 ZINC000453113576 297283692 /nfs/dbraw/zinc/28/36/92/297283692.db2.gz FNGUFRYWRRLQHO-IAGOWNOFSA-N 1 3 331.508 2.429 10 0 EEAEHO C[C@@H]1C[C@@H](NCC2([NH+]3CCCCC3)CCN(C)CC2)c2nccn21 ZINC000453113576 297283695 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CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000062646988 462622107 /nfs/dbraw/zinc/62/21/07/462622107.db2.gz DNTXGFJDLUTEDN-OALUTQOASA-N 1 3 344.503 2.435 10 0 EEAEHO CC1CCN(CC[N@H+](C)C2CCN(CCn3cccn3)CC2)CC1 ZINC000153810462 462695097 /nfs/dbraw/zinc/69/50/97/462695097.db2.gz KFUJUJRBLPEJIE-UHFFFAOYSA-N 1 3 333.524 2.011 10 0 EEAEHO CC1CCN(CC[N@@H+](C)C2CCN(CCn3cccn3)CC2)CC1 ZINC000153810462 462695102 /nfs/dbraw/zinc/69/51/02/462695102.db2.gz KFUJUJRBLPEJIE-UHFFFAOYSA-N 1 3 333.524 2.011 10 0 EEAEHO CC[NH+](CC)CC1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000057847366 463523923 /nfs/dbraw/zinc/52/39/23/463523923.db2.gz ZXTUVNHCDNBZGS-UHFFFAOYSA-N 1 3 328.460 2.248 10 0 EEAEHO CCN1CCC[C@@H](NC(=O)N(CC[NH+](CC)CC)CC(C)C)C1 ZINC000194177477 463809854 /nfs/dbraw/zinc/80/98/54/463809854.db2.gz OQPLVJHPQKDAIK-QGZVFWFLSA-N 1 3 326.529 2.480 10 0 EEAEHO CN(C)[C@H]1CCN(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000186271170 463966162 /nfs/dbraw/zinc/96/61/62/463966162.db2.gz 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CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000246455278 464587071 /nfs/dbraw/zinc/58/70/71/464587071.db2.gz OUHTXYLBXSBXHY-OWSLCNJRSA-N 1 3 338.540 2.479 10 0 EEAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000247535152 464691795 /nfs/dbraw/zinc/69/17/95/464691795.db2.gz XWUBITPKQIRPLQ-KBAYOESNSA-N 1 3 330.476 2.167 10 0 EEAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000247535152 464691801 /nfs/dbraw/zinc/69/18/01/464691801.db2.gz XWUBITPKQIRPLQ-KBAYOESNSA-N 1 3 330.476 2.167 10 0 EEAEHO CN1CCC(C[NH2+]C[C@@H](O)CC2CCCC2)(N2CCCCC2)CC1 ZINC000579827057 468419234 /nfs/dbraw/zinc/41/92/34/468419234.db2.gz FOTHJUYPGPRCCZ-IBGZPJMESA-N 1 3 337.552 2.468 10 0 EEAEHO COc1cc2c(cc1F)CC[C@H]2[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282121127 464704685 /nfs/dbraw/zinc/70/46/85/464704685.db2.gz AUXROPFGLFWXIN-QGZVFWFLSA-N 1 3 335.467 2.437 10 0 EEAEHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000348212907 465493554 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EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(F)cc2cccnc21 ZINC000617506517 469706679 /nfs/dbraw/zinc/70/66/79/469706679.db2.gz QIUJMJPYWWWSSI-AWEZNQCLSA-N 1 3 346.450 2.376 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc2c(F)cccc2c1 ZINC000617507793 469708528 /nfs/dbraw/zinc/70/85/28/469708528.db2.gz JKRAQABWFRVHNT-AWEZNQCLSA-N 1 3 346.450 2.376 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc2c(F)cccc2c1 ZINC000617507793 469708533 /nfs/dbraw/zinc/70/85/33/469708533.db2.gz JKRAQABWFRVHNT-AWEZNQCLSA-N 1 3 346.450 2.376 10 0 EEAEHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000617701740 469765246 /nfs/dbraw/zinc/76/52/46/469765246.db2.gz APCVBDPBLYCKHN-QAPCUYQASA-N 1 3 347.503 2.036 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000627033356 469797179 /nfs/dbraw/zinc/79/71/79/469797179.db2.gz HRSVGJKZMZAYJL-SPUZQDLCSA-N 1 3 332.492 2.426 10 0 EEAEHO CN1CCOC[C@@H]1CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000624175743 469865663 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[NH3+][C@H](CC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)c1ccccc1 ZINC000659371073 471596641 /nfs/dbraw/zinc/59/66/41/471596641.db2.gz YNQDXFUVIXIFAR-MSOLQXFVSA-N 1 3 325.412 2.376 10 0 EEAEHO C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C1=CCN(C)CC1 ZINC000659478204 471648164 /nfs/dbraw/zinc/64/81/64/471648164.db2.gz AJLDMHXEWQCWTE-KFKAGJAMSA-N 1 3 342.487 2.082 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1nc2c(s1)CCC2 ZINC000664315631 471716754 /nfs/dbraw/zinc/71/67/54/471716754.db2.gz VHBXUZZMYIKWBJ-LBPRGKRZSA-N 1 3 339.509 2.025 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1nc2c(s1)CCC2 ZINC000664315631 471716755 /nfs/dbraw/zinc/71/67/55/471716755.db2.gz VHBXUZZMYIKWBJ-LBPRGKRZSA-N 1 3 339.509 2.025 10 0 EEAEHO CCN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(C)C1 ZINC000664578153 471800471 /nfs/dbraw/zinc/80/04/71/471800471.db2.gz YBINZBDYARVDDA-SFHVURJKSA-N 1 3 345.491 2.034 10 0 EEAEHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@]1(O)CCCOC1 ZINC000660166790 471888499 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CN(c1ccccc1C[N@@H+]1CCC2(COC2)C1)C1CCN(C)CC1 ZINC000668720029 472237720 /nfs/dbraw/zinc/23/77/20/472237720.db2.gz ILZUXZWPPZJICV-UHFFFAOYSA-N 1 3 329.488 2.439 10 0 EEAEHO CN(c1ccccc1C[N@H+]1CCC2(COC2)C1)C1CCN(C)CC1 ZINC000668720029 472237721 /nfs/dbraw/zinc/23/77/21/472237721.db2.gz ILZUXZWPPZJICV-UHFFFAOYSA-N 1 3 329.488 2.439 10 0 EEAEHO CN(C)CCNC(=O)C1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000683827972 485653377 /nfs/dbraw/zinc/65/33/77/485653377.db2.gz RUGVKDLZKFVTFL-UHFFFAOYSA-N 1 3 340.471 2.125 10 0 EEAEHO Cc1cc(C)cc([C@H](O)CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000764465210 577736778 /nfs/dbraw/zinc/73/67/78/577736778.db2.gz DKMDFIPAYKJULK-SESVDKBCSA-N 1 3 345.531 2.295 10 0 EEAEHO CCN1CCO[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000390883432 578268317 /nfs/dbraw/zinc/26/83/17/578268317.db2.gz YSPGJGDAAUVEKR-VTHDOGFWSA-N 1 3 343.515 2.492 10 0 EEAEHO CCN1CCO[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390883432 578268318 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NULZSNPGBOQGCS-GUDVDZBRSA-N 1 3 344.503 2.139 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCOC(C)C)C1 ZINC001266825547 1177498382 /nfs/dbraw/zinc/49/83/82/1177498382.db2.gz GRYIITPEQFHRDK-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001267458480 1179044312 /nfs/dbraw/zinc/04/43/12/1179044312.db2.gz DXPXFBZEHPYWHY-GOSISDBHSA-N 1 3 330.476 2.302 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCOc1cccc(C)c1 ZINC001267474696 1179107142 /nfs/dbraw/zinc/10/71/42/1179107142.db2.gz SKXFEJLBJYIJMH-IBGZPJMESA-N 1 3 347.503 2.296 10 0 EEAEHO Cc1cc(CN2CC[C@H](CCNC(=O)CC[C@H]3CCC[N@H+]3C)C2)on1 ZINC001481435155 1181332746 /nfs/dbraw/zinc/33/27/46/1181332746.db2.gz KOLJGBGRIMUYHX-DLBZAZTESA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1cc(CN2CC[C@H](CCNC(=O)CC[C@H]3CCC[N@@H+]3C)C2)on1 ZINC001481435155 1181332754 /nfs/dbraw/zinc/33/27/54/1181332754.db2.gz KOLJGBGRIMUYHX-DLBZAZTESA-N 1 3 348.491 2.186 10 0 EEAEHO CC[C@H](F)C[N@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001481518189 1181628419 /nfs/dbraw/zinc/62/84/19/1181628419.db2.gz KCMXBEUMHXLAHB-WBVHZDCISA-N 1 3 327.488 2.247 10 0 EEAEHO CC[C@H](F)C[N@@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001481518189 1181628424 /nfs/dbraw/zinc/62/84/24/1181628424.db2.gz KCMXBEUMHXLAHB-WBVHZDCISA-N 1 3 327.488 2.247 10 0 EEAEHO CC(C)[NH+]1CCC(C(=O)NCC2CN(CCCCCF)C2)CC1 ZINC001481652617 1182127893 /nfs/dbraw/zinc/12/78/93/1182127893.db2.gz XULIMDVHQZGMCH-UHFFFAOYSA-N 1 3 327.488 2.295 10 0 EEAEHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCC(F)(F)F)CCC1 ZINC001268280554 1182147062 /nfs/dbraw/zinc/14/70/62/1182147062.db2.gz SXIZIKWLMWAUCV-CHWSQXEVSA-N 1 3 335.414 2.298 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]C[C@@H]2CCO[C@H](C)C2)CCCC1 ZINC001481912553 1182935796 /nfs/dbraw/zinc/93/57/96/1182935796.db2.gz YETFPUWLVASHOH-GDBMZVCRSA-N 1 3 348.491 2.094 10 0 EEAEHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@](C)(CNCc1ccccn1)C1CC1 ZINC001481933149 1182981083 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CN(C)C1(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]C/C=C/Cl)CCC1 ZINC001268768529 1183685122 /nfs/dbraw/zinc/68/51/22/1183685122.db2.gz YKYBZRZUTXKJFE-XBJHSPDSSA-N 1 3 327.900 2.488 10 0 EEAEHO CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CCN(CCCCCF)C1 ZINC001269250791 1184103042 /nfs/dbraw/zinc/10/30/42/1184103042.db2.gz IMQZSCHBYCBIFH-MRXNPFEDSA-N 1 3 325.472 2.287 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCCCCOC)C2)C1)N(C)C ZINC001269740584 1184574755 /nfs/dbraw/zinc/57/47/55/1184574755.db2.gz GPKYYRWMTILRFX-HKUYNNGSSA-N 1 3 339.524 2.068 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CCCCCOC)C2)C1)N(C)C ZINC001269740584 1184574761 /nfs/dbraw/zinc/57/47/61/1184574761.db2.gz GPKYYRWMTILRFX-HKUYNNGSSA-N 1 3 339.524 2.068 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]C/C=C/c1ccccc1 ZINC001270516611 1185141680 /nfs/dbraw/zinc/14/16/80/1185141680.db2.gz FYTAEKNACBNWCP-OKMWKSJFSA-N 1 3 329.488 2.384 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CCCCC1 ZINC001482406642 1185630105 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C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)[C@H](C)NCc1ccnn1C ZINC001409348166 1189559534 /nfs/dbraw/zinc/55/95/34/1189559534.db2.gz GJEXQIFBHAZARC-LSDHHAIUSA-N 1 3 349.523 2.056 10 0 EEAEHO COCCCCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001486090457 1193678419 /nfs/dbraw/zinc/67/84/19/1193678419.db2.gz KNAODBLEUASLSY-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1oncc1CNC[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001483591568 1190574623 /nfs/dbraw/zinc/57/46/23/1190574623.db2.gz FKEOMQGOLVJYOG-RDTXWAMCSA-N 1 3 348.491 2.232 10 0 EEAEHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCOC(C)C ZINC001483615611 1190591560 /nfs/dbraw/zinc/59/15/60/1190591560.db2.gz OFURQQTUPJBLHO-FUHWJXTLSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@H]1C[C@@H]([NH2+]CCCOc2ccccc2)CN1C(=O)CN1CCCC1 ZINC001486125594 1193688887 /nfs/dbraw/zinc/68/88/87/1193688887.db2.gz CCGJSGIJMOVQOC-ZWKOTPCHSA-N 1 3 345.487 2.130 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)cc1 ZINC001486131635 1193689980 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2.243 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCOC(C)C)C1 ZINC001484551699 1191410560 /nfs/dbraw/zinc/41/05/60/1191410560.db2.gz OFPMLQMAOWQGCS-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCO)CC2)c1 ZINC001484574850 1191427622 /nfs/dbraw/zinc/42/76/22/1191427622.db2.gz JYPJDQWQDCCNQQ-RUCARUNLSA-N 1 3 347.503 2.009 10 0 EEAEHO Cc1ccncc1C[NH2+]CC1CC(NC(=O)CN(C)CC(C)(C)C)C1 ZINC001485102455 1191652507 /nfs/dbraw/zinc/65/25/07/1191652507.db2.gz FSHHZXJOPQPPDJ-UHFFFAOYSA-N 1 3 346.519 2.352 10 0 EEAEHO Cc1ncc(CN[C@@H](C)[C@H](C)NC(=O)CCC[NH+]2CCCCC2)cn1 ZINC001485224423 1191696766 /nfs/dbraw/zinc/69/67/66/1191696766.db2.gz IOAVDXFJGTXRPN-HOTGVXAUSA-N 1 3 347.507 2.034 10 0 EEAEHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001485347314 1191749285 /nfs/dbraw/zinc/74/92/85/1191749285.db2.gz HEAAMPCMUWVOND-CHWSQXEVSA-N 1 3 327.419 2.414 10 0 EEAEHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C/C=C/c1ccccc1 ZINC001485373134 1191770249 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/nfs/dbraw/zinc/86/85/05/1198868505.db2.gz CJMOXMBLIGJBCO-HNNXBMFYSA-N 1 3 331.451 2.295 10 0 EEAEHO Cc1noc(C)c1CNC1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001411242507 1198961958 /nfs/dbraw/zinc/96/19/58/1198961958.db2.gz YVHRKWHJWUHNEL-CGZBRXJRSA-N 1 3 348.491 2.245 10 0 EEAEHO Cc1noc(C)c1CNC1CC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001411242507 1198961960 /nfs/dbraw/zinc/96/19/60/1198961960.db2.gz YVHRKWHJWUHNEL-CGZBRXJRSA-N 1 3 348.491 2.245 10 0 EEAEHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810711084 1199690057 /nfs/dbraw/zinc/69/00/57/1199690057.db2.gz ZRHROWFOXRSZAR-KDOFPFPSSA-N 1 3 327.488 2.436 10 0 EEAEHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810711084 1199690062 /nfs/dbraw/zinc/69/00/62/1199690062.db2.gz ZRHROWFOXRSZAR-KDOFPFPSSA-N 1 3 327.488 2.436 10 0 EEAEHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000813113219 1201123412 /nfs/dbraw/zinc/12/34/12/1201123412.db2.gz CCKLUTGPTYHEHI-KSSFIOAISA-N 1 3 327.488 2.388 10 0 EEAEHO Cc1ccc(CN2CCO[C@H](CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC000866558803 1201547955 /nfs/dbraw/zinc/54/79/55/1201547955.db2.gz VINYROXBWWOYIT-DFQSSKMNSA-N 1 3 331.504 2.268 10 0 EEAEHO Cc1ccc(CN2CCO[C@H](CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC000866558803 1201547958 /nfs/dbraw/zinc/54/79/58/1201547958.db2.gz VINYROXBWWOYIT-DFQSSKMNSA-N 1 3 331.504 2.268 10 0 EEAEHO CC[C@@H](c1ccc(F)cc1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714026 1201587636 /nfs/dbraw/zinc/58/76/36/1201587636.db2.gz DIDQDFURFKYRCJ-TWMKSMIVSA-N 1 3 333.407 2.144 10 0 EEAEHO CN(C)C1(C(=O)NC/C=C/C[NH2+][C@@H]2CCc3ccccc32)CCC1 ZINC001274088134 1204364244 /nfs/dbraw/zinc/36/42/44/1204364244.db2.gz GEPZXXNYKPCZGD-DUMMIQTOSA-N 1 3 327.472 2.420 10 0 EEAEHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001274815422 1205170875 /nfs/dbraw/zinc/17/08/75/1205170875.db2.gz CDCUWMVANNHTBF-JSGCOSHPSA-N 1 3 326.872 2.060 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1C2CC3CC(C2)CC1C3 ZINC001412328344 1205694073 /nfs/dbraw/zinc/69/40/73/1205694073.db2.gz ARMVLHYDGHHICO-QWEMWOLJSA-N 1 3 335.536 2.447 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1C2CC3CC(C2)CC1C3 ZINC001412328344 1205694075 /nfs/dbraw/zinc/69/40/75/1205694075.db2.gz ARMVLHYDGHHICO-QWEMWOLJSA-N 1 3 335.536 2.447 10 0 EEAEHO O=C1O[C@@H](CN[C@@H]2CCCOc3cc(F)ccc32)CC12CC[NH2+]CC2 ZINC000925859993 1206162413 /nfs/dbraw/zinc/16/24/13/1206162413.db2.gz YJABAXXLKXCTJK-GDBMZVCRSA-N 1 3 348.418 2.314 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001490842512 1208463951 /nfs/dbraw/zinc/46/39/51/1208463951.db2.gz SULCIYGJHLJVTD-POBIDRTASA-N 1 3 331.863 2.142 10 0 EEAEHO C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)CCN1Cc1ccccc1 ZINC000900895665 1234970334 /nfs/dbraw/zinc/97/03/34/1234970334.db2.gz ALHQUAYNXIFWMQ-KRWDZBQOSA-N 1 3 327.472 2.205 10 0 EEAEHO c1ccc(CN(C[C@@H]2CCCO2)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903722160 1241719830 /nfs/dbraw/zinc/71/98/30/1241719830.db2.gz IATADEXWXBIJJD-SLFFLAALSA-N 1 3 330.472 2.436 10 0 EEAEHO CCN(Cc1ccc(OC)cc1)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903885079 1242317671 /nfs/dbraw/zinc/31/76/71/1242317671.db2.gz DBFPKJDAKXEDRZ-KRWDZBQOSA-N 1 3 330.476 2.377 10 0 EEAEHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000903936330 1242574822 /nfs/dbraw/zinc/57/48/22/1242574822.db2.gz ZGYHNXLPJQNPDY-KVPLUYHFSA-N 1 3 337.471 2.438 10 0 EEAEHO Cc1csc([C@H]2CCN(C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)n1 ZINC000903937779 1242585402 /nfs/dbraw/zinc/58/54/02/1242585402.db2.gz RDHFCFIUGQKOJW-CABCVRRESA-N 1 3 333.505 2.100 10 0 EEAEHO O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H](NCc2cncs2)C1 ZINC001490960328 1258511053 /nfs/dbraw/zinc/51/10/53/1258511053.db2.gz RGLFSYIITXXHTQ-SHTZXODSSA-N 1 3 336.505 2.146 10 0 EEAEHO C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCCN1Cc1cccnc1 ZINC001491281824 1258889260 /nfs/dbraw/zinc/88/92/60/1258889260.db2.gz LQESOUGRCACHNT-MOPGFXCFSA-N 1 3 344.503 2.379 10 0 EEAEHO Cc1nocc1CNCC[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267893849 1276787839 /nfs/dbraw/zinc/78/78/39/1276787839.db2.gz WFZZKTHTTJUCFF-MRXNPFEDSA-N 1 3 348.491 2.043 10 0 EEAEHO Cc1nc(F)ccc1CNCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000850357517 1277197752 /nfs/dbraw/zinc/19/77/52/1277197752.db2.gz MDTQUOCPGKHBLS-SFHVURJKSA-N 1 3 329.419 2.386 10 0 EEAEHO Cc1nc(F)ccc1CNCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850357517 1277197757 /nfs/dbraw/zinc/19/77/57/1277197757.db2.gz MDTQUOCPGKHBLS-SFHVURJKSA-N 1 3 329.419 2.386 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(CCCCCF)C2)CC[N@@H+]1C ZINC001490448927 1291316011 /nfs/dbraw/zinc/31/60/11/1291316011.db2.gz IDVFTQZMHDRJSV-ULQDDVLXSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(CCCCCF)C2)CC[N@H+]1C ZINC001490448927 1291316021 /nfs/dbraw/zinc/31/60/21/1291316021.db2.gz IDVFTQZMHDRJSV-ULQDDVLXSA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCc3nnn(C)c3C2)CC1 ZINC000927150811 1297037539 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EEAEHO Cc1ccc(CC[N@@H+](C)CCCNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001265923682 1323489537 /nfs/dbraw/zinc/48/95/37/1323489537.db2.gz VBLJJJMZCFXSBU-GOSISDBHSA-N 1 3 331.504 2.317 10 0 EEAEHO Cc1ccc(CC[N@H+](C)CCCNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001265923682 1323489542 /nfs/dbraw/zinc/48/95/42/1323489542.db2.gz VBLJJJMZCFXSBU-GOSISDBHSA-N 1 3 331.504 2.317 10 0 EEAEHO Cc1ncccc1CN(C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001265933896 1323498064 /nfs/dbraw/zinc/49/80/64/1323498064.db2.gz WJBSPEALHWAUAK-UHFFFAOYSA-N 1 3 332.492 2.060 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001266039919 1323590049 /nfs/dbraw/zinc/59/00/49/1323590049.db2.gz DMTPCMZDBVGRGH-OAHLLOKOSA-N 1 3 338.883 2.013 10 0 EEAEHO Cc1ccncc1CN[C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001284027334 1326369132 /nfs/dbraw/zinc/36/91/32/1326369132.db2.gz UNVSMQZTHURGTL-FUHWJXTLSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1ncoc1C[N@H+]1CCC[C@@H]1CCCNC(=O)CN(C)C1CCC1 ZINC001492157049 1331020498 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CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001317406003 1332216304 /nfs/dbraw/zinc/21/63/04/1332216304.db2.gz NULIJZSXWHUVEK-OCCSQVGLSA-N 1 3 326.872 2.060 10 0 EEAEHO Cc1ncc(CN2CCC[C@H]2CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001317433547 1332237372 /nfs/dbraw/zinc/23/73/72/1332237372.db2.gz FSOUGUHGVOVCNR-DLBZAZTESA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncc(CN2CCC[C@H]2CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)o1 ZINC001317433547 1332237376 /nfs/dbraw/zinc/23/73/76/1332237376.db2.gz FSOUGUHGVOVCNR-DLBZAZTESA-N 1 3 348.491 2.186 10 0 EEAEHO CC(C)OCCCN1CCC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001317972371 1332454284 /nfs/dbraw/zinc/45/42/84/1332454284.db2.gz DXVVPNHTHRKNQX-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)OCCCN1CCC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001317972371 1332454288 /nfs/dbraw/zinc/45/42/88/1332454288.db2.gz DXVVPNHTHRKNQX-ZWKOTPCHSA-N 1 3 339.524 2.257 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001318445580 1332537062 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CC(C)COCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C1 ZINC001328099370 1334395802 /nfs/dbraw/zinc/39/58/02/1334395802.db2.gz UQGQUCMHYTZUPU-QGZVFWFLSA-N 1 3 341.540 2.216 10 0 EEAEHO CC(C)COCC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C1 ZINC001328099370 1334395806 /nfs/dbraw/zinc/39/58/06/1334395806.db2.gz UQGQUCMHYTZUPU-QGZVFWFLSA-N 1 3 341.540 2.216 10 0 EEAEHO CCCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001330432125 1334843552 /nfs/dbraw/zinc/84/35/52/1334843552.db2.gz VZQFMQRDZNPNPX-DLBZAZTESA-N 1 3 341.540 2.360 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)cc1 ZINC001330707599 1334889347 /nfs/dbraw/zinc/88/93/47/1334889347.db2.gz FUXPMVHZONGJND-WGSAOQKQSA-N 1 3 331.504 2.362 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCC2=CC[N@H+](CCc3cccs3)CC2)C1 ZINC001333406619 1336037028 /nfs/dbraw/zinc/03/70/28/1336037028.db2.gz NELZCOWYZWWGOS-MRXNPFEDSA-N 1 3 347.528 2.381 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCC2=CC[N@@H+](CCc3cccs3)CC2)C1 ZINC001333406619 1336037033 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327.419 2.243 10 0 EEAEHO CC(C)OCCC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001570514411 1343077931 /nfs/dbraw/zinc/07/79/31/1343077931.db2.gz YIPOVDDHBMNUEO-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cccc(OCC[NH2+][C@H](C)CN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001676423657 1357148462 /nfs/dbraw/zinc/14/84/62/1357148462.db2.gz IUWOOUTTXLCVIY-ZWKOTPCHSA-N 1 3 347.503 2.152 10 0 EEAEHO C[NH+](C)CCCCC(=O)N1C[C@@H](NCc2cccnc2)C(C)(C)C1 ZINC001677033238 1357266483 /nfs/dbraw/zinc/26/64/83/1357266483.db2.gz VPJHXGWTTWZUAA-QGZVFWFLSA-N 1 3 332.492 2.140 10 0 EEAEHO CCC[N@H+](C)CCOCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001656871175 1354289077 /nfs/dbraw/zinc/28/90/77/1354289077.db2.gz LQTZHAREVVFLRU-GOSISDBHSA-N 1 3 345.503 2.016 10 0 EEAEHO CCC[N@@H+](C)CCOCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001656871175 1354289081 /nfs/dbraw/zinc/28/90/81/1354289081.db2.gz LQTZHAREVVFLRU-GOSISDBHSA-N 1 3 345.503 2.016 10 0 EEAEHO CC(C)CCNCc1nc2c(s1)CCN(C(=O)CC[NH+](C)C)C2 ZINC001657091107 1354321391 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EEAEHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCOc2ccccc2)C1)N(C)C ZINC001661818123 1354702252 /nfs/dbraw/zinc/70/22/52/1354702252.db2.gz JBFXBAQFRYSNEH-HKUYNNGSSA-N 1 3 347.503 2.234 10 0 EEAEHO CCOCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001661861280 1354711736 /nfs/dbraw/zinc/71/17/36/1354711736.db2.gz KPKUCRXDEUSGJX-QZTJIDSGSA-N 1 3 339.524 2.257 10 0 EEAEHO CCOCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001661861280 1354711738 /nfs/dbraw/zinc/71/17/38/1354711738.db2.gz KPKUCRXDEUSGJX-QZTJIDSGSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)COCC[NH2+][C@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001662766322 1354841377 /nfs/dbraw/zinc/84/13/77/1354841377.db2.gz ICXOCZXUFJOSFV-IRXDYDNUSA-N 1 3 339.524 2.160 10 0 EEAEHO Cc1ccncc1CN1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001663634382 1355006663 /nfs/dbraw/zinc/00/66/63/1355006663.db2.gz SCKBCHHBDRJVRI-KRWDZBQOSA-N 1 3 332.492 2.060 10 0 EEAEHO CC(C)N(CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)Cc1cncn1C ZINC001664557385 1355193365 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EEAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2c3c(nn2C)CCOC3)C1 ZINC000921544761 789149082 /nfs/dbraw/zinc/14/90/82/789149082.db2.gz VNPLBAXJQINZRX-IYBDPMFKSA-N 1 3 334.508 2.341 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2c3c(nn2C)CCOC3)C1 ZINC000921544761 789149091 /nfs/dbraw/zinc/14/90/91/789149091.db2.gz VNPLBAXJQINZRX-IYBDPMFKSA-N 1 3 334.508 2.341 10 0 EEAEHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455423 789571686 /nfs/dbraw/zinc/57/16/86/789571686.db2.gz LQHRQHVBNCZXMO-SJLPKXTDSA-N 1 3 345.487 2.036 10 0 EEAEHO CN(C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000713350414 794562261 /nfs/dbraw/zinc/56/22/61/794562261.db2.gz VMIZEBULTABWDB-RMJJICAUSA-N 1 3 327.472 2.237 10 0 EEAEHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000921848112 797202897 /nfs/dbraw/zinc/20/28/97/797202897.db2.gz GLFVBQYXSNJZOL-OGWHTMIXSA-N 1 3 344.503 2.289 10 0 EEAEHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000921848112 797202904 /nfs/dbraw/zinc/20/29/04/797202904.db2.gz GLFVBQYXSNJZOL-OGWHTMIXSA-N 1 3 344.503 2.289 10 0 EEAEHO C[C@H]([NH2+]CCOCC1CCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001566532876 1125702883 /nfs/dbraw/zinc/70/28/83/1125702883.db2.gz JEJUIPQCAWKQHF-YJBOKZPZSA-N 1 3 348.491 2.128 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C)C1 ZINC001436405959 1087753560 /nfs/dbraw/zinc/75/35/60/1087753560.db2.gz WPOIBPZEDTVJTP-SAABIXHNSA-N 1 3 346.519 2.077 10 0 EEAEHO CCO[C@H](C[NH2+]C1CCC(NC(=O)Cc2nc[nH]c2C)CC1)C1CC1 ZINC001437086199 1089031457 /nfs/dbraw/zinc/03/14/57/1089031457.db2.gz AINZUCPWHQCYDJ-LEOMRAHMSA-N 1 3 348.491 2.093 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cncs1 ZINC001437413553 1089695538 /nfs/dbraw/zinc/69/55/38/1089695538.db2.gz YSKAYQZZFOQTAO-ZBFHGGJFSA-N 1 3 338.521 2.390 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3F)C2)C1 ZINC001437725934 1090280800 /nfs/dbraw/zinc/28/08/00/1090280800.db2.gz KIQHJNZASUOODK-DLBZAZTESA-N 1 3 347.478 2.148 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3F)C2)C1 ZINC001437725934 1090280803 /nfs/dbraw/zinc/28/08/03/1090280803.db2.gz KIQHJNZASUOODK-DLBZAZTESA-N 1 3 347.478 2.148 10 0 EEAEHO CC[C@@H](C(=O)NC[C@H]1CCN(Cc2ccccn2)C1)[NH+](CC)CC ZINC001437728951 1090283764 /nfs/dbraw/zinc/28/37/64/1090283764.db2.gz ROBYPNBNHNPXLI-AEFFLSMTSA-N 1 3 332.492 2.140 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](C/C=C\c2ccccc2)C1 ZINC001437743682 1090307575 /nfs/dbraw/zinc/30/75/75/1090307575.db2.gz XHNMILWHCSYXBW-KWEPMOPPSA-N 1 3 329.488 2.478 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC001437743682 1090307581 /nfs/dbraw/zinc/30/75/81/1090307581.db2.gz XHNMILWHCSYXBW-KWEPMOPPSA-N 1 3 329.488 2.478 10 0 EEAEHO CN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CCC(F)(F)F)C1 ZINC001437980193 1090572978 /nfs/dbraw/zinc/57/29/78/1090572978.db2.gz UDJHNWCJJBLJCO-ZIAGYGMSSA-N 1 3 335.414 2.203 10 0 EEAEHO 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/nfs/dbraw/zinc/98/78/32/464987832.db2.gz XXRZOUCYXNPCMG-IBGZPJMESA-N 1 3 333.524 2.245 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CC[C@@H](O)C2)CC1 ZINC000353209956 465717469 /nfs/dbraw/zinc/71/74/69/465717469.db2.gz VJZYTISXEDGFAK-PKOBYXMFSA-N 1 3 331.504 2.469 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000357282148 465910231 /nfs/dbraw/zinc/91/02/31/465910231.db2.gz HSDZJEBXQKVQED-SFHVURJKSA-N 1 3 329.488 2.076 10 0 EEAEHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000357348107 465969800 /nfs/dbraw/zinc/96/98/00/465969800.db2.gz MKOHBYOYHWKYTO-IAGOWNOFSA-N 1 3 339.524 2.257 10 0 EEAEHO CN1CCC([C@@H]2CC[N@H+](Cc3ccc(-n4cncn4)cc3)C2)CC1 ZINC000349199909 466018055 /nfs/dbraw/zinc/01/80/55/466018055.db2.gz YTHRGTSXUGWPKW-GOSISDBHSA-N 1 3 325.460 2.431 10 0 EEAEHO CN1CCC([C@@H]2CC[N@@H+](Cc3ccc(-n4cncn4)cc3)C2)CC1 ZINC000349199909 466018059 /nfs/dbraw/zinc/01/80/59/466018059.db2.gz YTHRGTSXUGWPKW-GOSISDBHSA-N 1 3 325.460 2.431 10 0 EEAEHO CC(C)C[C@H](N[C@@H]1CCCc2c(O)cccc21)C(=O)NCC[NH+](C)C ZINC000340517024 466147721 /nfs/dbraw/zinc/14/77/21/466147721.db2.gz KQYOSZNCNDUHAW-MSOLQXFVSA-N 1 3 347.503 2.452 10 0 EEAEHO CC(C)C[C@H](N[C@H]1CCc2c1cccc2F)C(=O)NCC[NH+](C)C ZINC000347169580 466447324 /nfs/dbraw/zinc/44/73/24/466447324.db2.gz OPIHIKPJHNJDRO-ROUUACIJSA-N 1 3 335.467 2.495 10 0 EEAEHO CC(C)C[C@H](N[C@@H]1CCc2c1cccc2F)C(=O)NCC[NH+](C)C ZINC000347169578 466447524 /nfs/dbraw/zinc/44/75/24/466447524.db2.gz OPIHIKPJHNJDRO-MSOLQXFVSA-N 1 3 335.467 2.495 10 0 EEAEHO CC[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(OC)cc1 ZINC000341046247 466538951 /nfs/dbraw/zinc/53/89/51/466538951.db2.gz ANUIMFIKVRDVBL-LJQANCHMSA-N 1 3 345.487 2.479 10 0 EEAEHO CC[NH2+][C@H](C)CNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418047349 467032782 /nfs/dbraw/zinc/03/27/82/467032782.db2.gz SDRIUEWQQASMQD-VQIMIIECSA-N 1 3 332.492 2.338 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@H](F)C3)CC2)CC1 ZINC000424620928 467077424 /nfs/dbraw/zinc/07/74/24/467077424.db2.gz ADETVCMYIMHFLU-CABCVRRESA-N 1 3 325.472 2.190 10 0 EEAEHO CN(C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418434917 467110243 /nfs/dbraw/zinc/11/02/43/467110243.db2.gz WEXOXLVTVYTHSU-IPMKNSEASA-N 1 3 344.503 2.420 10 0 EEAEHO C[C@@H](NC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2)[C@H](C)[NH3+] ZINC000418701497 467147688 /nfs/dbraw/zinc/14/76/88/467147688.db2.gz GLRLBAMDKYCACY-QKLQHJQFSA-N 1 3 344.503 2.420 10 0 EEAEHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418702647 467147910 /nfs/dbraw/zinc/14/79/10/467147910.db2.gz HDRACIZNJWVHQM-SOLBZPMBSA-N 1 3 332.492 2.276 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000378165860 467217302 /nfs/dbraw/zinc/21/73/02/467217302.db2.gz KVNDBJLPPMXMIV-HZEGPAAWSA-N 1 3 343.515 2.350 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000398095276 467447666 /nfs/dbraw/zinc/44/76/66/467447666.db2.gz XKRFKEKWPALEDO-BVBHFADKSA-N 1 3 329.488 2.388 10 0 EEAEHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCCN(C)C1 ZINC000589768013 468183713 /nfs/dbraw/zinc/18/37/13/468183713.db2.gz XRRBTTLQPNWREV-SFHVURJKSA-N 1 3 332.492 2.374 10 0 EEAEHO COC(=O)c1ccc2c(c1)[C@H](NCCC[NH+]1CCC(O)CC1)CCC2 ZINC000594505422 468611463 /nfs/dbraw/zinc/61/14/63/468611463.db2.gz UYDZJBCWPXRZKI-LJQANCHMSA-N 1 3 346.471 2.287 10 0 EEAEHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000594939822 468726922 /nfs/dbraw/zinc/72/69/22/468726922.db2.gz FMDXDTYCOQKKIS-NIKGAXFTSA-N 1 3 346.471 2.447 10 0 EEAEHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000584709434 468917233 /nfs/dbraw/zinc/91/72/33/468917233.db2.gz FPMYEPGBFVAGFZ-FZCLSBEQSA-N 1 3 330.476 2.119 10 0 EEAEHO C[C@@H]1CN(C[C@@H]2CCCN2Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H](C)O1 ZINC000572888680 469015731 /nfs/dbraw/zinc/01/57/31/469015731.db2.gz ZLCDPNNHFLTVHF-LZJOCLMNSA-N 1 3 343.515 2.406 10 0 EEAEHO CN1CCC[C@H](NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000618553872 469386453 /nfs/dbraw/zinc/38/64/53/469386453.db2.gz PRJMTFXBDHKDMN-SFHVURJKSA-N 1 3 344.503 2.217 10 0 EEAEHO CN1CCC[C@H](NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000618553872 469386459 /nfs/dbraw/zinc/38/64/59/469386459.db2.gz PRJMTFXBDHKDMN-SFHVURJKSA-N 1 3 344.503 2.217 10 0 EEAEHO CN1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000604106359 469457686 /nfs/dbraw/zinc/45/76/86/469457686.db2.gz LJJPTPHASWIVPN-ROUUACIJSA-N 1 3 330.476 2.044 10 0 EEAEHO CN1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000604106359 469457689 /nfs/dbraw/zinc/45/76/89/469457689.db2.gz LJJPTPHASWIVPN-ROUUACIJSA-N 1 3 330.476 2.044 10 0 EEAEHO COc1ncc(Br)cc1CNC[C@@H]1CC[NH2+][C@H](C)C1 ZINC000629656398 469600230 /nfs/dbraw/zinc/60/02/30/469600230.db2.gz OGRFISZJNJTZDF-GHMZBOCLSA-N 1 3 328.254 2.330 10 0 EEAEHO CCCN1CCN(c2ccccc2CN[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000629660371 469601391 /nfs/dbraw/zinc/60/13/91/469601391.db2.gz SLAONZNEPFEBHV-IEBWSBKVSA-N 1 3 330.520 2.449 10 0 EEAEHO NCC(=O)N1CCC[C@H](C[NH2+]C2(c3c(F)cccc3F)CCC2)C1 ZINC000629673717 469603496 /nfs/dbraw/zinc/60/34/96/469603496.db2.gz FHYKEFCDPNYMFC-CYBMUJFWSA-N 1 3 337.414 2.131 10 0 EEAEHO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@@H]1C[C@H]1C1CC1 ZINC000623471681 469666854 /nfs/dbraw/zinc/66/68/54/469666854.db2.gz MADXFJXCUHUVFU-TTYHFUOFSA-N 1 3 343.515 2.300 10 0 EEAEHO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@@H]1C[C@H]1C1CC1 ZINC000623471680 469666862 /nfs/dbraw/zinc/66/68/62/469666862.db2.gz MADXFJXCUHUVFU-KNTRFNDTSA-N 1 3 343.515 2.300 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000617502333 469698985 /nfs/dbraw/zinc/69/89/85/469698985.db2.gz LXZUPPXEMPEZSN-KVSKMBFKSA-N 1 3 335.467 2.260 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000617502333 469698988 /nfs/dbraw/zinc/69/89/88/469698988.db2.gz LXZUPPXEMPEZSN-KVSKMBFKSA-N 1 3 335.467 2.260 10 0 EEAEHO Cc1nc(CC(C)C)oc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506916 469706960 /nfs/dbraw/zinc/70/69/60/469706960.db2.gz CEYORSSICFGRGC-AWEZNQCLSA-N 1 3 338.496 2.183 10 0 EEAEHO Cc1nc(CC(C)C)oc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506916 469706964 /nfs/dbraw/zinc/70/69/64/469706964.db2.gz CEYORSSICFGRGC-AWEZNQCLSA-N 1 3 338.496 2.183 10 0 EEAEHO C[C@@H](CNC(=O)NC[C@H]1CCN1C1CCCC1)C[NH+]1CCCCC1 ZINC000623715045 469742683 /nfs/dbraw/zinc/74/26/83/469742683.db2.gz RKTHFKMOVDZMDE-FUHWJXTLSA-N 1 3 336.524 2.425 10 0 EEAEHO C[C@H]1CC[C@H](NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)C[NH2+]1 ZINC000627208520 469844515 /nfs/dbraw/zinc/84/45/15/469844515.db2.gz YBCGXDWEBPXYOD-AOIWGVFYSA-N 1 3 344.503 2.290 10 0 EEAEHO [NH3+]C1(Cc2nc([C@H]3CCCN3)no2)CCN(Cc2ccccc2)CC1 ZINC000634557552 470266332 /nfs/dbraw/zinc/26/63/32/470266332.db2.gz ZUARWKCQHPTSRA-MRXNPFEDSA-N 1 3 341.459 2.030 10 0 EEAEHO CCC[NH+](CCC)CCCC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000649132509 470477079 /nfs/dbraw/zinc/47/70/79/470477079.db2.gz CRCWEEXQIKISOL-UHFFFAOYSA-N 1 3 339.524 2.212 10 0 EEAEHO CN1CCO[C@H]([C@@H](NCCC2(C[NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000650745176 470957073 /nfs/dbraw/zinc/95/70/73/470957073.db2.gz BCLZHPLQRUYHIQ-IRXDYDNUSA-N 1 3 337.895 2.430 10 0 EEAEHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCCc2c1ccc(=O)n2C ZINC000650764576 470961089 /nfs/dbraw/zinc/96/10/89/470961089.db2.gz DLZHBXNAGLKUNO-QGTPRVQTSA-N 1 3 325.456 2.311 10 0 EEAEHO O=C(CCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)N1CCc2sccc2C1 ZINC000647902006 471012369 /nfs/dbraw/zinc/01/23/69/471012369.db2.gz YNDUOSXRUXSGAQ-NVXWUHKLSA-N 1 3 347.528 2.487 10 0 EEAEHO CO[C@H](CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@@H]1CCOC1 ZINC000660447426 471346494 /nfs/dbraw/zinc/34/64/94/471346494.db2.gz JZIRLBVBBFBEOW-YSTOQKLRSA-N 1 3 330.472 2.102 10 0 EEAEHO CO[C@H](CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)[C@@H]1CCOC1 ZINC000660447426 471346500 /nfs/dbraw/zinc/34/65/00/471346500.db2.gz JZIRLBVBBFBEOW-YSTOQKLRSA-N 1 3 330.472 2.102 10 0 EEAEHO C[C@@H]1CC[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CS1 ZINC000655710810 471451824 /nfs/dbraw/zinc/45/18/24/471451824.db2.gz CRVZHOVPMHATDG-SJORKVTESA-N 1 3 334.533 2.467 10 0 EEAEHO C[C@H](NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C1=CC[N@H+](C)CC1 ZINC000659037523 471479223 /nfs/dbraw/zinc/47/92/23/471479223.db2.gz JFPSKIQNCQSVMA-KSSFIOAISA-N 1 3 344.459 2.119 10 0 EEAEHO C[C@H](NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C1=CC[N@@H+](C)CC1 ZINC000659037523 471479227 /nfs/dbraw/zinc/47/92/27/471479227.db2.gz JFPSKIQNCQSVMA-KSSFIOAISA-N 1 3 344.459 2.119 10 0 EEAEHO CSc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nc1 ZINC000666651628 471480645 /nfs/dbraw/zinc/48/06/45/471480645.db2.gz SBFNYKZEIIYZQE-ZDUSSCGKSA-N 1 3 339.509 2.197 10 0 EEAEHO CSc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc1 ZINC000666651628 471480648 /nfs/dbraw/zinc/48/06/48/471480648.db2.gz SBFNYKZEIIYZQE-ZDUSSCGKSA-N 1 3 339.509 2.197 10 0 EEAEHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000669420758 471491136 /nfs/dbraw/zinc/49/11/36/471491136.db2.gz VYEOIFZVFASTGZ-SZMVWBNQSA-N 1 3 330.476 2.030 10 0 EEAEHO CCN(C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000663784849 471516966 /nfs/dbraw/zinc/51/69/66/471516966.db2.gz XGLNZGYELAKEST-IXDOHACOSA-N 1 3 338.540 2.479 10 0 EEAEHO CCN(C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000663784849 471516971 /nfs/dbraw/zinc/51/69/71/471516971.db2.gz XGLNZGYELAKEST-IXDOHACOSA-N 1 3 338.540 2.479 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C(C)C)C1CC1 ZINC000667014040 471623727 /nfs/dbraw/zinc/62/37/27/471623727.db2.gz MJASYTMESSWVLI-MSOLQXFVSA-N 1 3 338.540 2.479 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C(C)C)C1CC1 ZINC000667014040 471623734 /nfs/dbraw/zinc/62/37/34/471623734.db2.gz MJASYTMESSWVLI-MSOLQXFVSA-N 1 3 338.540 2.479 10 0 EEAEHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000659436109 471626628 /nfs/dbraw/zinc/62/66/28/471626628.db2.gz PJVZINRDDCGJSR-MSOLQXFVSA-N 1 3 332.492 2.496 10 0 EEAEHO N[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c2ccccc21 ZINC000665274848 471986483 /nfs/dbraw/zinc/98/64/83/471986483.db2.gz ZPIFOEZNJGBSPR-INDMIFKZSA-N 1 3 327.472 2.364 10 0 EEAEHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCSc1ccc(F)cc1 ZINC000662273170 472052261 /nfs/dbraw/zinc/05/22/61/472052261.db2.gz UMJGDNZQCPOQTF-HNNXBMFYSA-N 1 3 339.480 2.237 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000668660945 472213986 /nfs/dbraw/zinc/21/39/86/472213986.db2.gz IINKZMAEDVUZOD-RBSFLKMASA-N 1 3 336.505 2.182 10 0 EEAEHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000662881806 472289072 /nfs/dbraw/zinc/28/90/72/472289072.db2.gz BKRFQRUGZDXWTL-BGTYHANMSA-N 1 3 329.444 2.207 10 0 EEAEHO C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530027076 485532691 /nfs/dbraw/zinc/53/26/91/485532691.db2.gz WPTCCHGVIASNNY-KRWDZBQOSA-N 1 3 345.487 2.374 10 0 EEAEHO Cc1nc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cs1 ZINC000684157256 485781274 /nfs/dbraw/zinc/78/12/74/485781274.db2.gz CDTQVZKCCVHTSV-UHFFFAOYSA-N 1 3 337.493 2.132 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+]2C[C@H](O)C(C)(C)C2)CC1 ZINC000448358805 534935737 /nfs/dbraw/zinc/93/57/37/534935737.db2.gz HOEKPIWJUXDFGV-IBGZPJMESA-N 1 3 331.504 2.421 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+]2C[C@H](O)C(C)(C)C2)CC1 ZINC000448358805 534935744 /nfs/dbraw/zinc/93/57/44/534935744.db2.gz HOEKPIWJUXDFGV-IBGZPJMESA-N 1 3 331.504 2.421 10 0 EEAEHO O=C(NCCNc1ccncc1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000751105983 577748132 /nfs/dbraw/zinc/74/81/32/577748132.db2.gz HKFWVOPRQFTROT-UHFFFAOYSA-N 1 3 345.491 2.012 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc2)CC1 ZINC000743586556 577887525 /nfs/dbraw/zinc/88/75/25/577887525.db2.gz CEOOOWQZCOLDKF-LJQANCHMSA-N 1 3 346.519 2.145 10 0 EEAEHO CCN1CCO[C@H](C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000383917560 578266289 /nfs/dbraw/zinc/26/62/89/578266289.db2.gz QGGUSTDAUGARST-MISYRCLQSA-N 1 3 331.504 2.207 10 0 EEAEHO CCN1CCO[C@H](CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000383917560 578266290 /nfs/dbraw/zinc/26/62/90/578266290.db2.gz QGGUSTDAUGARST-MISYRCLQSA-N 1 3 331.504 2.207 10 0 EEAEHO CCN1CCO[C@H](CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000383917560 578266291 /nfs/dbraw/zinc/26/62/91/578266291.db2.gz QGGUSTDAUGARST-MISYRCLQSA-N 1 3 331.504 2.207 10 0 EEAEHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1C[NH+](CC[C@H](C)F)C1 ZINC001485503412 1191818211 /nfs/dbraw/zinc/81/82/11/1191818211.db2.gz MKZXQRAXIDHIHT-LSDHHAIUSA-N 1 3 327.488 2.436 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](CNCc1ccccn1)C1CC1 ZINC001485813128 1191977375 /nfs/dbraw/zinc/97/73/75/1191977375.db2.gz GDMHJNPRPFPHIC-RTBURBONSA-N 1 3 344.503 2.283 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](CNCc1ccccn1)C1CC1 ZINC001485813128 1191977379 /nfs/dbraw/zinc/97/73/79/1191977379.db2.gz GDMHJNPRPFPHIC-RTBURBONSA-N 1 3 344.503 2.283 10 0 EEAEHO Cc1cccc(CN(C)CCNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001480879470 1176677131 /nfs/dbraw/zinc/67/71/31/1176677131.db2.gz MNWMQQLUSSDCRY-UHFFFAOYSA-N 1 3 329.488 2.419 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001266639567 1177040335 /nfs/dbraw/zinc/04/03/35/1177040335.db2.gz DAIGBFUHDDQOPF-JHJVBQTASA-N 1 3 336.307 2.147 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC001481373688 1181152631 /nfs/dbraw/zinc/15/26/31/1181152631.db2.gz BIHORBGJPFDGLR-RTBURBONSA-N 1 3 347.503 2.343 10 0 EEAEHO CO[C@@H](C)C[NH2+]CC[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001481984923 1183086322 /nfs/dbraw/zinc/08/63/22/1183086322.db2.gz UYFXEUKJMUKLAE-DLBZAZTESA-N 1 3 341.540 2.218 10 0 EEAEHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]C/C=C\Cl)CCC1 ZINC001268768530 1183686093 /nfs/dbraw/zinc/68/60/93/1183686093.db2.gz YKYBZRZUTXKJFE-ZDUQJDDRSA-N 1 3 327.900 2.488 10 0 EEAEHO CC1CCN(CC(=O)N(C)CCC[NH2+]Cc2ccccc2F)CC1 ZINC001268894057 1183797038 /nfs/dbraw/zinc/79/70/38/1183797038.db2.gz OXRSOMKHHXVWEQ-UHFFFAOYSA-N 1 3 335.467 2.496 10 0 EEAEHO CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1cccc(Cl)n1)N(C)C ZINC001268915591 1183824118 /nfs/dbraw/zinc/82/41/18/1183824118.db2.gz ONPMJPXEPKTMFL-AWEZNQCLSA-N 1 3 326.872 2.013 10 0 EEAEHO C[C@H](C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CC1)N1CCCCCC1 ZINC001269124266 1183983072 /nfs/dbraw/zinc/98/30/72/1183983072.db2.gz HSYMGWNNSBOJAK-NZJBMZQBSA-N 1 3 327.900 2.488 10 0 EEAEHO C[C@@H](C[NH2+]Cc1ccc(Cl)s1)N(C)C(=O)CN1CCCC1 ZINC001482365537 1185520886 /nfs/dbraw/zinc/52/08/86/1185520886.db2.gz WMHQAYNUFDRWRI-LBPRGKRZSA-N 1 3 329.897 2.434 10 0 EEAEHO Cc1nocc1C[NH2+]CC[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001482902369 1187827982 /nfs/dbraw/zinc/82/79/82/1187827982.db2.gz QQESAPXSQXBJLQ-AWEZNQCLSA-N 1 3 344.459 2.343 10 0 EEAEHO COc1cc(C[N@H+](C)[C@H](C)CNC(=O)CN(C)C(C)C)ccc1C ZINC001409695790 1190205374 /nfs/dbraw/zinc/20/53/74/1190205374.db2.gz UTJOTCYXYGHXOI-MRXNPFEDSA-N 1 3 335.492 2.280 10 0 EEAEHO COc1cc(C[N@@H+](C)[C@H](C)CNC(=O)CN(C)C(C)C)ccc1C ZINC001409695790 1190205378 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C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCCc1ccsc1 ZINC001484898214 1191568003 /nfs/dbraw/zinc/56/80/03/1191568003.db2.gz FBEBYIMRIAMRAF-CJNGLKHVSA-N 1 3 332.473 2.083 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CC2CC(F)(F)C2)[C@H](C)C1 ZINC001484988170 1191604363 /nfs/dbraw/zinc/60/43/63/1191604363.db2.gz QVODGFKREWMMAU-UKRRQHHQSA-N 1 3 331.451 2.341 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)[C@H](C)C1 ZINC001484988170 1191604364 /nfs/dbraw/zinc/60/43/64/1191604364.db2.gz QVODGFKREWMMAU-UKRRQHHQSA-N 1 3 331.451 2.341 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2CN(C)CCOCC)C1 ZINC001485067734 1191635717 /nfs/dbraw/zinc/63/57/17/1191635717.db2.gz TXHNQLVUYDRFCZ-ZWKOTPCHSA-N 1 3 339.524 2.068 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2CN(C)CCOCC)C1 ZINC001485067734 1191635718 /nfs/dbraw/zinc/63/57/18/1191635718.db2.gz TXHNQLVUYDRFCZ-ZWKOTPCHSA-N 1 3 339.524 2.068 10 0 EEAEHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC001485196814 1191682214 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ZINC000872145723 1198054452 /nfs/dbraw/zinc/05/44/52/1198054452.db2.gz WIXVXMHMBVKDAN-SFHVURJKSA-N 1 3 346.471 2.372 10 0 EEAEHO c1c(CN[C@@H]2CCCCC23CC[NH2+]CC3)nnn1Cc1cccnc1 ZINC000873232636 1198537262 /nfs/dbraw/zinc/53/72/62/1198537262.db2.gz JZZFQDCLRQONMQ-GOSISDBHSA-N 1 3 340.475 2.123 10 0 EEAEHO CC[C@@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)N1CCc2ccccc2C1 ZINC000870918801 1200952903 /nfs/dbraw/zinc/95/29/03/1200952903.db2.gz QDLAWMZSMHERFK-LXZJYRNTSA-N 1 3 327.472 2.067 10 0 EEAEHO CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886639827 1202538533 /nfs/dbraw/zinc/53/85/33/1202538533.db2.gz MMTSSSDLPKZXCY-NMLBUPMWSA-N 1 3 327.472 2.250 10 0 EEAEHO CC(=O)N1CC[C@@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000886639827 1202538535 /nfs/dbraw/zinc/53/85/35/1202538535.db2.gz MMTSSSDLPKZXCY-NMLBUPMWSA-N 1 3 327.472 2.250 10 0 EEAEHO CC(=O)N1CC[C@@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000886639827 1202538537 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EEAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000925535134 1206124618 /nfs/dbraw/zinc/12/46/18/1206124618.db2.gz BYIIJEAOWJCINB-IKGGRYGDSA-N 1 3 331.460 2.250 10 0 EEAEHO C[C@@H]1CN(c2ccc(CN[C@H]3C[C@H]([NH3+])CC(C)(C)C3)cn2)CCO1 ZINC000925552367 1206126873 /nfs/dbraw/zinc/12/68/73/1206126873.db2.gz IZFDZZYNSZVVRO-PVAVHDDUSA-N 1 3 332.492 2.302 10 0 EEAEHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000925837199 1206158645 /nfs/dbraw/zinc/15/86/45/1206158645.db2.gz COOLKPCOQYBDOO-DGCLKSJQSA-N 1 3 327.270 2.242 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000928435389 1206382933 /nfs/dbraw/zinc/38/29/33/1206382933.db2.gz LZJLCVPCJHPDFK-QRQLOZEOSA-N 1 3 329.488 2.150 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000928435389 1206382934 /nfs/dbraw/zinc/38/29/34/1206382934.db2.gz LZJLCVPCJHPDFK-QRQLOZEOSA-N 1 3 329.488 2.150 10 0 EEAEHO C[N@@H+]1CCC[C@]2(CCN(C[C@H](O)CC[C@@H](O)c3ccccc3)C2)C1 ZINC000930575981 1206568005 /nfs/dbraw/zinc/56/80/05/1206568005.db2.gz GFDRMVUOJKRAEO-AQNXPRMDSA-N 1 3 332.488 2.279 10 0 EEAEHO C[N@H+]1CCC[C@]2(CCN(C[C@H](O)CC[C@@H](O)c3ccccc3)C2)C1 ZINC000930575981 1206568006 /nfs/dbraw/zinc/56/80/06/1206568006.db2.gz GFDRMVUOJKRAEO-AQNXPRMDSA-N 1 3 332.488 2.279 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NCC2([NH+](C)C)CCCC2)cc(Cl)n1 ZINC000827032772 1249488471 /nfs/dbraw/zinc/48/84/71/1249488471.db2.gz NUCXZLOADIJPBK-AWEZNQCLSA-N 1 3 338.883 2.424 10 0 EEAEHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@@H]1COc2ccccc2C1 ZINC000902981926 1239260200 /nfs/dbraw/zinc/26/02/00/1239260200.db2.gz SKDCHHIXDRLINC-WMZOPIPTSA-N 1 3 331.504 2.242 10 0 EEAEHO CCOC1CC(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001491054732 1258623773 /nfs/dbraw/zinc/62/37/73/1258623773.db2.gz CMFDSIMBGHDETH-HPZPOOBXSA-N 1 3 339.524 2.016 10 0 EEAEHO COCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001491121944 1258707539 /nfs/dbraw/zinc/70/75/39/1258707539.db2.gz CUSNIKKUHITXBZ-ROUUACIJSA-N 1 3 339.524 2.116 10 0 EEAEHO COCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001491121944 1258707547 /nfs/dbraw/zinc/70/75/47/1258707547.db2.gz CUSNIKKUHITXBZ-ROUUACIJSA-N 1 3 339.524 2.116 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC000855346941 1293183777 /nfs/dbraw/zinc/18/37/77/1293183777.db2.gz PISPRSDERHZGAW-HNNXBMFYSA-N 1 3 347.503 2.358 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC000855346941 1293183783 /nfs/dbraw/zinc/18/37/83/1293183783.db2.gz PISPRSDERHZGAW-HNNXBMFYSA-N 1 3 347.503 2.358 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)CCC[NH2+]Cc1cccc(Cl)n1 ZINC001276399980 1314747902 /nfs/dbraw/zinc/74/79/02/1314747902.db2.gz TWRDGQFDHYWKRZ-UHFFFAOYSA-N 1 3 326.872 2.013 10 0 EEAEHO Cc1cc([C@H]([NH3+])CC(=O)Nc2cnc3c(c2)CNCC3)cc(Cl)n1 ZINC000841849249 1315622450 /nfs/dbraw/zinc/62/24/50/1315622450.db2.gz DUOHRRGXLGZVFM-CQSZACIVSA-N 1 3 345.834 2.113 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc(Cl)n1 ZINC000841850807 1315622458 /nfs/dbraw/zinc/62/24/58/1315622458.db2.gz DUTLNSFIDHZTGN-WMLDXEAASA-N 1 3 336.867 2.035 10 0 EEAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)CC[N@@H+]1CCCOC ZINC001264071758 1322605754 /nfs/dbraw/zinc/60/57/54/1322605754.db2.gz NCVZGZSDFXMACC-KSZLIROESA-N 1 3 339.524 2.112 10 0 EEAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)CC[N@H+]1CCCOC ZINC001264071758 1322605756 /nfs/dbraw/zinc/60/57/56/1322605756.db2.gz NCVZGZSDFXMACC-KSZLIROESA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCCC[N@H+](C)C/C=C\c2ccccc2)C1 ZINC001265923667 1323490107 /nfs/dbraw/zinc/49/01/07/1323490107.db2.gz URSAXYJLVJMWNC-OEPRFQHASA-N 1 3 329.488 2.480 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCCC[N@@H+](C)C/C=C\c2ccccc2)C1 ZINC001265923667 1323490109 /nfs/dbraw/zinc/49/01/09/1323490109.db2.gz URSAXYJLVJMWNC-OEPRFQHASA-N 1 3 329.488 2.480 10 0 EEAEHO Cc1ncccc1C[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001280263126 1324133372 /nfs/dbraw/zinc/13/33/72/1324133372.db2.gz DHRWFGRYGZPHAL-PKOBYXMFSA-N 1 3 346.519 2.304 10 0 EEAEHO Cc1cc(CN[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)sn1 ZINC001491685204 1330205296 /nfs/dbraw/zinc/20/52/96/1330205296.db2.gz YFKVLHJBQOBUSM-GDBMZVCRSA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001491718123 1330228902 /nfs/dbraw/zinc/22/89/02/1330228902.db2.gz ZNXZSDYXGYQCHQ-OALUTQOASA-N 1 3 329.488 2.212 10 0 EEAEHO Cc1cncc(CN(C)CCCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001316832368 1331356357 /nfs/dbraw/zinc/35/63/57/1331356357.db2.gz CXUAEHUAEHJMQU-IBGZPJMESA-N 1 3 346.519 2.449 10 0 EEAEHO Cc1cncc(CN(C)CCCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001316832368 1331356360 /nfs/dbraw/zinc/35/63/60/1331356360.db2.gz CXUAEHUAEHJMQU-IBGZPJMESA-N 1 3 346.519 2.449 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCCCC[C@@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC001316772246 1331885276 /nfs/dbraw/zinc/88/52/76/1331885276.db2.gz JHZRMSABUGDQMF-DLBZAZTESA-N 1 3 348.491 2.130 10 0 EEAEHO Cc1ccccc1OCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001319435395 1332700659 /nfs/dbraw/zinc/70/06/59/1332700659.db2.gz CMTUDHWIEPMKCW-MSOLQXFVSA-N 1 3 347.503 2.295 10 0 EEAEHO CC(C)n1ccc(CNCC[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)n1 ZINC001320476321 1332893025 /nfs/dbraw/zinc/89/30/25/1332893025.db2.gz MVGRMMWEQDFXTG-MRXNPFEDSA-N 1 3 347.507 2.077 10 0 EEAEHO C[C@H](F)CC[NH2+]C/C=C/CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001321249991 1333055348 /nfs/dbraw/zinc/05/53/48/1333055348.db2.gz MYNHZHPSHORAKO-WVBURXTLSA-N 1 3 331.451 2.209 10 0 EEAEHO C[C@@H](NC/C=C/CNC(=O)C12CC[NH+](CC1)C2)c1ccc(F)cc1 ZINC001321338357 1333078291 /nfs/dbraw/zinc/07/82/91/1333078291.db2.gz RGPCNLAZDSQCBU-XYBNCVKDSA-N 1 3 331.435 2.245 10 0 EEAEHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]CCCOc1ccccc1 ZINC001324273512 1333647077 /nfs/dbraw/zinc/64/70/77/1333647077.db2.gz MLOYBNWQNJQVIB-GOSISDBHSA-N 1 3 345.487 2.132 10 0 EEAEHO O=C(N(CCNCCF)Cc1ccccc1)C12CCC[NH+]1CCC2 ZINC001325694525 1333941948 /nfs/dbraw/zinc/94/19/48/1333941948.db2.gz VSONHJIQXCELAW-UHFFFAOYSA-N 1 3 333.451 2.203 10 0 EEAEHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CCO1 ZINC001327080920 1334217408 /nfs/dbraw/zinc/21/74/08/1334217408.db2.gz NSAHJCPUFGHPBV-LJQANCHMSA-N 1 3 347.503 2.225 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NC1CC(C[NH2+]C/C=C/Cl)C1 ZINC001328928111 1334549358 /nfs/dbraw/zinc/54/93/58/1334549358.db2.gz NGKINZPTIYFREA-RDGONNJOSA-N 1 3 327.900 2.486 10 0 EEAEHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2ccnc(Cl)c2)C[C@@H]1C ZINC001332052441 1335715155 /nfs/dbraw/zinc/71/51/55/1335715155.db2.gz YNUHIBIFCJGCBZ-DZGCQCFKSA-N 1 3 338.883 2.156 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2ccnc(Cl)c2)C[C@@H]1C ZINC001332052441 1335715158 /nfs/dbraw/zinc/71/51/58/1335715158.db2.gz YNUHIBIFCJGCBZ-DZGCQCFKSA-N 1 3 338.883 2.156 10 0 EEAEHO COCCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001332217176 1335769848 /nfs/dbraw/zinc/76/98/48/1335769848.db2.gz GXCAIRQAPLWQHM-VQIMIIECSA-N 1 3 347.503 2.367 10 0 EEAEHO COCCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001332217176 1335769852 /nfs/dbraw/zinc/76/98/52/1335769852.db2.gz GXCAIRQAPLWQHM-VQIMIIECSA-N 1 3 347.503 2.367 10 0 EEAEHO CC(C)[N@H+]1CC=C(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001333407280 1336037887 /nfs/dbraw/zinc/03/78/87/1336037887.db2.gz URKRLIYIEFNZGL-GOSISDBHSA-N 1 3 325.472 2.356 10 0 EEAEHO CC(C)[N@@H+]1CC=C(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001333407280 1336037893 /nfs/dbraw/zinc/03/78/93/1336037893.db2.gz URKRLIYIEFNZGL-GOSISDBHSA-N 1 3 325.472 2.356 10 0 EEAEHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCOC1CCCCCC1 ZINC001480474963 1338258939 /nfs/dbraw/zinc/25/89/39/1338258939.db2.gz NISXFBOCJMCSRR-INIZCTEOSA-N 1 3 339.524 2.304 10 0 EEAEHO C[NH+](C)CCC(=O)NC[C@H]1C[C@H](NCc2cc(Cl)ccc2F)C1 ZINC001436388286 1342065895 /nfs/dbraw/zinc/06/58/95/1342065895.db2.gz CDYOISKNXBDDFE-NNUKFRKNSA-N 1 3 341.858 2.415 10 0 EEAEHO Cc1ccc(CN(CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)c(C)n1 ZINC001566602546 1342576244 /nfs/dbraw/zinc/57/62/44/1342576244.db2.gz FFDJDUTVUYJTFG-GOSISDBHSA-N 1 3 344.503 2.121 10 0 EEAEHO Cc1ccc(CN(CCCNC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)c(C)n1 ZINC001566602546 1342576248 /nfs/dbraw/zinc/57/62/48/1342576248.db2.gz FFDJDUTVUYJTFG-GOSISDBHSA-N 1 3 344.503 2.121 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C)c(OC)c1 ZINC001567611754 1342793858 /nfs/dbraw/zinc/79/38/58/1342793858.db2.gz TWSSVYNENGANNC-GOSISDBHSA-N 1 3 347.503 2.426 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001570022195 1343001740 /nfs/dbraw/zinc/00/17/40/1343001740.db2.gz PJMRFBJAGVHYBI-MRXNPFEDSA-N 1 3 335.467 2.494 10 0 EEAEHO CCc1onc(C)c1CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001647448110 1353280122 /nfs/dbraw/zinc/28/01/22/1353280122.db2.gz HFSHVOBAJGEZDB-UHFFFAOYSA-N 1 3 334.508 2.395 10 0 EEAEHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(NC4=NCCC4)cc3)[C@@H]2C1 ZINC001649360311 1353497002 /nfs/dbraw/zinc/49/70/02/1353497002.db2.gz NXJCFUTZRNEQNB-UAGQMJEPSA-N 1 3 326.444 2.361 10 0 EEAEHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(NC4=NCCC4)cc3)[C@@H]2C1 ZINC001649360311 1353497003 /nfs/dbraw/zinc/49/70/03/1353497003.db2.gz NXJCFUTZRNEQNB-UAGQMJEPSA-N 1 3 326.444 2.361 10 0 EEAEHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN2CCC)CCO1 ZINC001649457780 1353515690 /nfs/dbraw/zinc/51/56/90/1353515690.db2.gz MMLHSYQTEJZWRE-OSFIAYCASA-N 1 3 337.508 2.034 10 0 EEAEHO CC[N@@H+]1CCCN(c2nnc([C@H]3CCCN(C)C3)n2CC2CC2)CC1 ZINC001650522426 1353969570 /nfs/dbraw/zinc/96/95/70/1353969570.db2.gz JLGYXHXSWHDRTR-KRWDZBQOSA-N 1 3 346.523 2.029 10 0 EEAEHO CC[N@H+]1CCCN(c2nnc([C@H]3CCCN(C)C3)n2CC2CC2)CC1 ZINC001650522426 1353969571 /nfs/dbraw/zinc/96/95/71/1353969571.db2.gz JLGYXHXSWHDRTR-KRWDZBQOSA-N 1 3 346.523 2.029 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001656241199 1354218288 /nfs/dbraw/zinc/21/82/88/1354218288.db2.gz PTMGYFNJJIMJBU-CTYIDZIISA-N 1 3 338.883 2.060 10 0 EEAEHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1sc(C)nc1C ZINC001660502832 1354476418 /nfs/dbraw/zinc/47/64/18/1354476418.db2.gz ZDCLATRTVROLHW-HNNXBMFYSA-N 1 3 338.521 2.182 10 0 EEAEHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1sc(C)nc1C ZINC001660502832 1354476419 /nfs/dbraw/zinc/47/64/19/1354476419.db2.gz ZDCLATRTVROLHW-HNNXBMFYSA-N 1 3 338.521 2.182 10 0 EEAEHO CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CCN(CCOCC)CC1 ZINC001661097133 1354590620 /nfs/dbraw/zinc/59/06/20/1354590620.db2.gz JPFJRDLSFMBXDZ-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCN(CCOCC)CC1 ZINC001661097133 1354590622 /nfs/dbraw/zinc/59/06/22/1354590622.db2.gz JPFJRDLSFMBXDZ-KRWDZBQOSA-N 1 3 339.524 2.068 10 0 EEAEHO COCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001661554808 1354656809 /nfs/dbraw/zinc/65/68/09/1354656809.db2.gz GKLQRHFWNAYJFA-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO COCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C(C)C)C1 ZINC001661554808 1354656813 /nfs/dbraw/zinc/65/68/13/1354656813.db2.gz GKLQRHFWNAYJFA-QZTJIDSGSA-N 1 3 339.524 2.066 10 0 EEAEHO C[C@H](C[NH2+]CCc1cccs1)N(C)C(=O)CN1CCC(C)CC1 ZINC001667019446 1355634085 /nfs/dbraw/zinc/63/40/85/1355634085.db2.gz YSFBZSZRXUZONC-MRXNPFEDSA-N 1 3 337.533 2.459 10 0 EEAEHO Cc1csc(CNCC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)n1 ZINC001668163247 1355889386 /nfs/dbraw/zinc/88/93/86/1355889386.db2.gz NTBCYXHJFZYAHT-ZDUSSCGKSA-N 1 3 338.521 2.310 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1cncc(C)c1 ZINC001668852931 1356022902 /nfs/dbraw/zinc/02/29/02/1356022902.db2.gz AYEGTBTZPLZBIQ-PYTPGESOSA-N 1 3 330.476 2.026 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1cncc(C)c1 ZINC001668852931 1356022905 /nfs/dbraw/zinc/02/29/05/1356022905.db2.gz AYEGTBTZPLZBIQ-PYTPGESOSA-N 1 3 330.476 2.026 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/CNCc2cccnc2C)C1 ZINC001668995025 1356062347 /nfs/dbraw/zinc/06/23/47/1356062347.db2.gz GIHAUBXPCNGEKV-PXPVJAHISA-N 1 3 344.503 2.274 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)NC/C=C/CNCc2cccnc2C)C1 ZINC001668995025 1356062354 /nfs/dbraw/zinc/06/23/54/1356062354.db2.gz GIHAUBXPCNGEKV-PXPVJAHISA-N 1 3 344.503 2.274 10 0 EEAEHO CC(C)c1cccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)n1 ZINC001670204922 1356296380 /nfs/dbraw/zinc/29/63/80/1356296380.db2.gz OEBSNIZCRAQGKK-GOSISDBHSA-N 1 3 332.492 2.237 10 0 EEAEHO Cc1ncc(CNCCCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001670270868 1356308279 /nfs/dbraw/zinc/30/82/79/1356308279.db2.gz ATUAMLRLCIYWCA-OAHLLOKOSA-N 1 3 336.480 2.186 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)o1 ZINC001672816880 1356591606 /nfs/dbraw/zinc/59/16/06/1356591606.db2.gz YLRPVKDLVHVIHK-IAGOWNOFSA-N 1 3 348.491 2.104 10 0 EEAEHO COCCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001674499449 1356848288 /nfs/dbraw/zinc/84/82/88/1356848288.db2.gz IRIFJQWFSVRDGK-IBGZPJMESA-N 1 3 347.503 2.321 10 0 EEAEHO COCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001674499449 1356848292 /nfs/dbraw/zinc/84/82/92/1356848292.db2.gz IRIFJQWFSVRDGK-IBGZPJMESA-N 1 3 347.503 2.321 10 0 EEAEHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000930113397 770540128 /nfs/dbraw/zinc/54/01/28/770540128.db2.gz LOBCXQWRAATZEF-HUUCEWRRSA-N 1 3 337.430 2.054 10 0 EEAEHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000930113397 770540132 /nfs/dbraw/zinc/54/01/32/770540132.db2.gz LOBCXQWRAATZEF-HUUCEWRRSA-N 1 3 337.430 2.054 10 0 EEAEHO Cc1c(Cl)nccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000823456236 787758074 /nfs/dbraw/zinc/75/80/74/787758074.db2.gz XQUXCMSCELEKGV-LBPRGKRZSA-N 1 3 341.887 2.437 10 0 EEAEHO Cc1c(Cl)nccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000823456236 787758079 /nfs/dbraw/zinc/75/80/79/787758079.db2.gz XQUXCMSCELEKGV-LBPRGKRZSA-N 1 3 341.887 2.437 10 0 EEAEHO C[C@@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C[NH3+] ZINC000923412154 789519805 /nfs/dbraw/zinc/51/98/05/789519805.db2.gz UVPSMSWQPJVFTQ-WZRBSPASSA-N 1 3 333.259 2.260 10 0 EEAEHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1cccc3c1OC(F)(F)O3)CC2 ZINC000923444890 789554376 /nfs/dbraw/zinc/55/43/76/789554376.db2.gz INIXAHUQFMIBGB-ZDUSSCGKSA-N 1 3 340.370 2.338 10 0 EEAEHO C[NH+](C)CCCNC(=S)NCC(C)(C)N1CCc2ccccc2C1 ZINC000045711372 789689827 /nfs/dbraw/zinc/68/98/27/789689827.db2.gz LIDSPBZUUUFRJZ-UHFFFAOYSA-N 1 3 348.560 2.239 10 0 EEAEHO O=C(NCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000716672699 796405855 /nfs/dbraw/zinc/40/58/55/796405855.db2.gz KRVTVNMHCOXVMJ-UHOSZYNNSA-N 1 3 327.472 2.155 10 0 EEAEHO O=C(NCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000716672699 796405857 /nfs/dbraw/zinc/40/58/57/796405857.db2.gz KRVTVNMHCOXVMJ-UHOSZYNNSA-N 1 3 327.472 2.155 10 0 EEAEHO O=C(NCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000716672699 796405859 /nfs/dbraw/zinc/40/58/59/796405859.db2.gz KRVTVNMHCOXVMJ-UHOSZYNNSA-N 1 3 327.472 2.155 10 0 EEAEHO CO[C@@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCOC1 ZINC000716690383 796443440 /nfs/dbraw/zinc/44/34/40/796443440.db2.gz FVXRYNJMLQPLDH-ZGXWSNOMSA-N 1 3 330.472 2.435 10 0 EEAEHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCOCC(C)C)C1)N(C)C ZINC001566075233 1125547789 /nfs/dbraw/zinc/54/77/89/1125547789.db2.gz JDTLFNUKUMKOAM-QZTJIDSGSA-N 1 3 341.540 2.360 10 0 EEAEHO Cc1oncc1CN1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001437919100 1090505587 /nfs/dbraw/zinc/50/55/87/1090505587.db2.gz PTILYBCAVAMJSX-WMZOPIPTSA-N 1 3 348.491 2.184 10 0 EEAEHO Cc1oncc1CN1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001437919100 1090505591 /nfs/dbraw/zinc/50/55/91/1090505591.db2.gz PTILYBCAVAMJSX-WMZOPIPTSA-N 1 3 348.491 2.184 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]Cc1cccnc1C ZINC001438308395 1090787140 /nfs/dbraw/zinc/78/71/40/1090787140.db2.gz XMQCEUSZYWMFEY-MSOLQXFVSA-N 1 3 332.492 2.247 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCOCC1 ZINC001438693824 1091196703 /nfs/dbraw/zinc/19/67/03/1091196703.db2.gz NPEFIXWVHHWLMI-WMZOPIPTSA-N 1 3 339.524 2.112 10 0 EEAEHO C[N@H+](CCC1CCN(C(=O)CN2CCCC2)CC1)Cc1ccccn1 ZINC001438771946 1091355818 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EEAEHO CCC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCc1cc(C)ns1 ZINC001439791512 1092750328 /nfs/dbraw/zinc/75/03/28/1092750328.db2.gz WJQGKVKVRLYEIS-HNNXBMFYSA-N 1 3 338.521 2.264 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCc1cc(C)ns1 ZINC001439791512 1092750334 /nfs/dbraw/zinc/75/03/34/1092750334.db2.gz WJQGKVKVRLYEIS-HNNXBMFYSA-N 1 3 338.521 2.264 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001440135223 1093201554 /nfs/dbraw/zinc/20/15/54/1093201554.db2.gz KLKMJKKQZCYVJF-RDJZCZTQSA-N 1 3 335.467 2.352 10 0 EEAEHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001448716356 1093788204 /nfs/dbraw/zinc/78/82/04/1093788204.db2.gz JSVULMDJUAWDKT-STQMWFEESA-N 1 3 327.419 2.414 10 0 EEAEHO CCc1onc(C)c1CN1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001449009486 1094009771 /nfs/dbraw/zinc/00/97/71/1094009771.db2.gz JKVFBSWHQJKJQK-PKOBYXMFSA-N 1 3 348.491 2.110 10 0 EEAEHO Cc1noc(C)c1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001449051278 1094066051 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344.503 2.249 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CC2CCCCC2)C1 ZINC001441328866 1094788255 /nfs/dbraw/zinc/78/82/55/1094788255.db2.gz JPZWZNCQZZKZGS-FUHWJXTLSA-N 1 3 339.524 2.112 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cc(C)ns2)C1 ZINC001442204883 1096489490 /nfs/dbraw/zinc/48/94/90/1096489490.db2.gz NKJMUOXPTPSTIY-GJZGRUSLSA-N 1 3 338.521 2.310 10 0 EEAEHO C[NH+](C)CCC(=O)NC[C@@H](NC[C@@H]1CC(C)(C)CO1)c1ccccc1 ZINC001443133126 1097558778 /nfs/dbraw/zinc/55/87/78/1097558778.db2.gz REPWRMMRHNLVHG-ZWKOTPCHSA-N 1 3 347.503 2.200 10 0 EEAEHO CN(CCF)CC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001443370677 1097891404 /nfs/dbraw/zinc/89/14/04/1097891404.db2.gz LMDKIMKSWAOXHC-IRXDYDNUSA-N 1 3 327.488 2.247 10 0 EEAEHO Cc1nc(C)c(C[NH2+][C@H]2CC[C@H](NC(=O)CN(C)C(C)C)CC2)o1 ZINC001444193554 1098745023 /nfs/dbraw/zinc/74/50/23/1098745023.db2.gz UCXOICYQNJFGJQ-WKILWMFISA-N 1 3 336.480 2.149 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)Cc1cnn(C)c1 ZINC001479856022 1099159426 /nfs/dbraw/zinc/15/94/26/1099159426.db2.gz KHZXASUFJLWYQJ-GOSISDBHSA-N 1 3 349.523 2.011 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)Cc1cnn(C)c1 ZINC001479856022 1099159429 /nfs/dbraw/zinc/15/94/29/1099159429.db2.gz KHZXASUFJLWYQJ-GOSISDBHSA-N 1 3 349.523 2.011 10 0 EEAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]Cc2ccccn2)CCCC1 ZINC001444539919 1099317491 /nfs/dbraw/zinc/31/74/91/1099317491.db2.gz XRXDFTAUPAMPJA-CALCHBBNSA-N 1 3 344.503 2.473 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](NCc1ccc(F)cn1)C1CC1 ZINC001480021262 1099500519 /nfs/dbraw/zinc/50/05/19/1099500519.db2.gz YGKXBHYEMGLHNT-MSOLQXFVSA-N 1 3 348.466 2.078 10 0 EEAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](NCc1ccc(F)cn1)C1CC1 ZINC001480021262 1099500527 /nfs/dbraw/zinc/50/05/27/1099500527.db2.gz YGKXBHYEMGLHNT-MSOLQXFVSA-N 1 3 348.466 2.078 10 0 EEAEHO C[C@@H](CNCc1cc(F)cc(F)c1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001444721059 1099590783 /nfs/dbraw/zinc/59/07/83/1099590783.db2.gz ZBEAILPSBRKVRC-KBPBESRZSA-N 1 3 339.430 2.243 10 0 EEAEHO C[C@@H](CNCc1cc(F)cc(F)c1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001444721059 1099590791 /nfs/dbraw/zinc/59/07/91/1099590791.db2.gz ZBEAILPSBRKVRC-KBPBESRZSA-N 1 3 339.430 2.243 10 0 EEAEHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1nc2ccccc2o1 ZINC001444784029 1099691239 /nfs/dbraw/zinc/69/12/39/1099691239.db2.gz LDKDSRBURILOJP-CABCVRRESA-N 1 3 344.459 2.106 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@H]2C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001480167408 1099743075 /nfs/dbraw/zinc/74/30/75/1099743075.db2.gz OLCWTBDUCYNJFD-LNLFQRSKSA-N 1 3 347.503 2.197 10 0 EEAEHO CCc1ccc(CC[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)cc1 ZINC001480174454 1099754486 /nfs/dbraw/zinc/75/44/86/1099754486.db2.gz XDNMEJSJGZIBTH-WGSAOQKQSA-N 1 3 331.504 2.369 10 0 EEAEHO CO[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC001480207774 1099813520 /nfs/dbraw/zinc/81/35/20/1099813520.db2.gz GLNPQOBLIYJKHI-SCTDSRPQSA-N 1 3 345.487 2.095 10 0 EEAEHO O=C(N[C@@H]1CCC[C@@H]1CNC/C(Cl)=C/Cl)C12CC[NH+](CC1)C2 ZINC001445100267 1100330210 /nfs/dbraw/zinc/33/02/10/1100330210.db2.gz AOFPCDVYPQYTOX-LRZCHELBSA-N 1 3 346.302 2.276 10 0 EEAEHO CN(CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cncs1)C1CCC1 ZINC001445104195 1100336567 /nfs/dbraw/zinc/33/65/67/1100336567.db2.gz CRUVTVLWTKJZGC-CZUORRHYSA-N 1 3 336.505 2.002 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1cccnc1)C1CCCC1)N(C)C ZINC001446495156 1100938232 /nfs/dbraw/zinc/93/82/32/1100938232.db2.gz FRAGYNLHOURQCU-QZTJIDSGSA-N 1 3 332.492 2.186 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]C[C@H]1CCCOC1)C1CCCC1 ZINC001446509785 1100960873 /nfs/dbraw/zinc/96/08/73/1100960873.db2.gz NQANHSVDWWKNHF-AEFFLSMTSA-N 1 3 339.524 2.018 10 0 EEAEHO CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc1cnc(C)s1)C1CC1)N(C)C ZINC001495280101 1100978021 /nfs/dbraw/zinc/97/80/21/1100978021.db2.gz LQYQEDRFNIFDIS-DOTOQJQBSA-N 1 3 338.521 2.166 10 0 EEAEHO CCOCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001496484669 1101076391 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EEAEHO NC(=O)[C@H](Cc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000273347152 256288749 /nfs/dbraw/zinc/28/87/49/256288749.db2.gz AHFGBHMEBLBASV-FQEVSTJZSA-N 1 3 337.467 2.469 10 0 EEAEHO Cn1nccc1-c1ccccc1CNCCC[NH+]1CCC(O)CC1 ZINC000352222417 153010973 /nfs/dbraw/zinc/01/09/73/153010973.db2.gz QMAUACHBLLEIJL-UHFFFAOYSA-N 1 3 328.460 2.024 10 0 EEAEHO CCCO[C@H]1CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000108395077 159340554 /nfs/dbraw/zinc/34/05/54/159340554.db2.gz KYDUUFJYCFGADL-SFHVURJKSA-N 1 3 337.508 2.011 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000346370490 161366986 /nfs/dbraw/zinc/36/69/86/161366986.db2.gz KWDTYZMEEBJOLJ-WMZOPIPTSA-N 1 3 344.503 2.041 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000346370490 161366987 /nfs/dbraw/zinc/36/69/87/161366987.db2.gz KWDTYZMEEBJOLJ-WMZOPIPTSA-N 1 3 344.503 2.041 10 0 EEAEHO CCOC(=O)c1csc(CCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000375840032 167210707 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2.484 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000333805360 312199926 /nfs/dbraw/zinc/19/99/26/312199926.db2.gz ORRUFEZYNXIAFQ-SJORKVTESA-N 1 3 336.524 2.330 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000418607038 313858937 /nfs/dbraw/zinc/85/89/37/313858937.db2.gz ZYAFDSWMKSVCCL-VQIMIIECSA-N 1 3 344.503 2.290 10 0 EEAEHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCN(C(C)(C)C)C2=O)[C@H](C)C1 ZINC000425436337 314393902 /nfs/dbraw/zinc/39/39/02/314393902.db2.gz WDKLLUDVXVAWHO-IKGGRYGDSA-N 1 3 339.524 2.112 10 0 EEAEHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N[C@@H]1CNCCC1(F)F ZINC000563593442 319027186 /nfs/dbraw/zinc/02/71/86/319027186.db2.gz VIVWKKFFVGTWSV-LSDHHAIUSA-N 1 3 344.450 2.080 10 0 EEAEHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N[C@@H]1CNCCC1(F)F ZINC000563593442 319027188 /nfs/dbraw/zinc/02/71/88/319027188.db2.gz VIVWKKFFVGTWSV-LSDHHAIUSA-N 1 3 344.450 2.080 10 0 EEAEHO CC[NH+]1CCC(CNC(=O)CCN2CCc3ccccc3C2)CC1 ZINC000567359697 319373451 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CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)n1cccc1 ZINC000522649791 468374102 /nfs/dbraw/zinc/37/41/02/468374102.db2.gz AHQYSZBHETWPCP-ZWKOTPCHSA-N 1 3 334.508 2.314 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)n1cccc1 ZINC000522649791 468374107 /nfs/dbraw/zinc/37/41/07/468374107.db2.gz AHQYSZBHETWPCP-ZWKOTPCHSA-N 1 3 334.508 2.314 10 0 EEAEHO C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CCCCC2)CCN1Cc1ccccc1 ZINC000268835317 463792334 /nfs/dbraw/zinc/79/23/34/463792334.db2.gz LNQHWVAZKCJDMJ-NRSPTQNISA-N 1 3 345.531 2.476 10 0 EEAEHO N[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)C1CCOCC1 ZINC000261669339 463821576 /nfs/dbraw/zinc/82/15/76/463821576.db2.gz GEUHZRPBFZXLFO-IBGZPJMESA-N 1 3 345.487 2.043 10 0 EEAEHO CCCN1CCN(c2ccccc2CN2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000262060612 463938473 /nfs/dbraw/zinc/93/84/73/463938473.db2.gz REIWXNORGPCBII-OAQYLSRUSA-N 1 3 342.531 2.404 10 0 EEAEHO C[C@H]([NH3+])c1ccc(CNS(=O)(=O)c2ccc(CN(C)C)cc2)cc1 ZINC000262082486 463941474 /nfs/dbraw/zinc/94/14/74/463941474.db2.gz QQFHFSCGXFMOFF-AWEZNQCLSA-N 1 3 347.484 2.246 10 0 EEAEHO CC[N@H+](CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C1CC1 ZINC000179152313 464068511 /nfs/dbraw/zinc/06/85/11/464068511.db2.gz QDOPDSDUFQQALK-QZTJIDSGSA-N 1 3 330.476 2.215 10 0 EEAEHO CC[N@@H+](CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C1CC1 ZINC000179152313 464068515 /nfs/dbraw/zinc/06/85/15/464068515.db2.gz QDOPDSDUFQQALK-QZTJIDSGSA-N 1 3 330.476 2.215 10 0 EEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN(C)Cc2ccccc2)[C@@H](C)C1 ZINC000246433431 464583372 /nfs/dbraw/zinc/58/33/72/464583372.db2.gz MWSJWIRJNPIMAP-HKUYNNGSSA-N 1 3 346.519 2.490 10 0 EEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN(C)Cc2ccccc2)[C@@H](C)C1 ZINC000246433431 464583379 /nfs/dbraw/zinc/58/33/79/464583379.db2.gz MWSJWIRJNPIMAP-HKUYNNGSSA-N 1 3 346.519 2.490 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H]4CCCC[C@@H]4C3)CC2)CC1 ZINC000176479892 464783402 /nfs/dbraw/zinc/78/34/02/464783402.db2.gz MQGCEXSMHJMOJJ-IAGOWNOFSA-N 1 3 348.535 2.377 10 0 EEAEHO CN1CCC[C@@H]1CNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000249135319 464846329 /nfs/dbraw/zinc/84/63/29/464846329.db2.gz HDNSBJHPHSNAFQ-UYAOXDASSA-N 1 3 344.503 2.435 10 0 EEAEHO CN1CCC[C@@H]1CNC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000249135319 464846332 /nfs/dbraw/zinc/84/63/32/464846332.db2.gz HDNSBJHPHSNAFQ-UYAOXDASSA-N 1 3 344.503 2.435 10 0 EEAEHO C[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1ccc(OCCN(C)C)cc1 ZINC000348224934 465499043 /nfs/dbraw/zinc/49/90/43/465499043.db2.gz ZRIZBUOALRVOFC-APWZRJJASA-N 1 3 343.471 2.449 10 0 EEAEHO CC(C)[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccnc1 ZINC000359376471 465400907 /nfs/dbraw/zinc/40/09/07/465400907.db2.gz VPDGCTAKPQTVGC-LJQANCHMSA-N 1 3 332.492 2.311 10 0 EEAEHO C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NC1CC[NH+](C)CC1 ZINC000361402753 465963866 /nfs/dbraw/zinc/96/38/66/465963866.db2.gz AXEAQLWKIIMHKP-KRWDZBQOSA-N 1 3 344.503 2.387 10 0 EEAEHO CC[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)N1CCc2ccccc2C1 ZINC000338761686 466363071 /nfs/dbraw/zinc/36/30/71/466363071.db2.gz JGCDDFWUHKTROS-MOPGFXCFSA-N 1 3 344.503 2.217 10 0 EEAEHO CC[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)N1CCc2ccccc2C1 ZINC000338761686 466363074 /nfs/dbraw/zinc/36/30/74/466363074.db2.gz JGCDDFWUHKTROS-MOPGFXCFSA-N 1 3 344.503 2.217 10 0 EEAEHO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCN1CCc2ccccc2C1 ZINC000354215205 466384903 /nfs/dbraw/zinc/38/49/03/466384903.db2.gz GRZFBCOBYVPFTD-KRWDZBQOSA-N 1 3 329.488 2.425 10 0 EEAEHO C[C@H]1CCCC[N@H+]1CCNC(=O)CCN1CCc2ccccc2C1 ZINC000354215205 466384910 /nfs/dbraw/zinc/38/49/10/466384910.db2.gz GRZFBCOBYVPFTD-KRWDZBQOSA-N 1 3 329.488 2.425 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[N@@H+]1C ZINC000340857544 466387518 /nfs/dbraw/zinc/38/75/18/466387518.db2.gz HLVKDGSMQFJYIZ-BHIYHBOVSA-N 1 3 346.519 2.283 10 0 EEAEHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[N@H+]1C ZINC000340857544 466387524 /nfs/dbraw/zinc/38/75/24/466387524.db2.gz HLVKDGSMQFJYIZ-BHIYHBOVSA-N 1 3 346.519 2.283 10 0 EEAEHO COc1cccc([C@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000347236958 466500349 /nfs/dbraw/zinc/50/03/49/466500349.db2.gz UBEHUDPERBWFAX-YJBOKZPZSA-N 1 3 335.492 2.438 10 0 EEAEHO CCOC(=O)C1([C@H](C)N[C@@H](COC)c2ccccc2)CC[NH2+]CC1 ZINC000422957964 466688058 /nfs/dbraw/zinc/68/80/58/466688058.db2.gz WIAODMXUWVUQNY-RDJZCZTQSA-N 1 3 334.460 2.285 10 0 EEAEHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccc(-n2cncn2)cc1 ZINC000423194876 466694401 /nfs/dbraw/zinc/69/44/01/466694401.db2.gz ZHYWOJVIQFDPSR-MRXNPFEDSA-N 1 3 336.443 2.493 10 0 EEAEHO C[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C)Cc1ccccc1 ZINC000417596231 466890195 /nfs/dbraw/zinc/89/01/95/466890195.db2.gz ZIVIUFXGRYSOSO-UBLGTCEWSA-N 1 3 344.503 2.431 10 0 EEAEHO C[NH2+]C[C@H](C)CNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417734318 466919795 /nfs/dbraw/zinc/91/97/95/466919795.db2.gz JYILTUXYXZYMNH-LZWOXQAQSA-N 1 3 338.521 2.286 10 0 EEAEHO CN(C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417945252 466997260 /nfs/dbraw/zinc/99/72/60/466997260.db2.gz QPOIKNIHRYXQPI-VUXNLXKLSA-N 1 3 342.487 2.356 10 0 EEAEHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C1 ZINC000418049708 467034408 /nfs/dbraw/zinc/03/44/08/467034408.db2.gz YKVNFELZQUJZIT-UYAOXDASSA-N 1 3 344.503 2.435 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCN1Cc1ccccc1 ZINC000418196573 467072751 /nfs/dbraw/zinc/07/27/51/467072751.db2.gz RIJMQSNCFSLXBX-QXCFHYIPSA-N 1 3 342.487 2.043 10 0 EEAEHO CCN(C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418341941 467095429 /nfs/dbraw/zinc/09/54/29/467095429.db2.gz IBALUNKWMFXCBG-JQHSSLGASA-N 1 3 330.476 2.215 10 0 EEAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418579825 467131157 /nfs/dbraw/zinc/13/11/57/467131157.db2.gz RXZOZGABFNKNEG-MAUKXSAKSA-N 1 3 332.492 2.278 10 0 EEAEHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000418591028 467132843 /nfs/dbraw/zinc/13/28/43/467132843.db2.gz KAPMJOGRVHZEBW-AOIWGVFYSA-N 1 3 344.503 2.148 10 0 EEAEHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418702645 467147903 /nfs/dbraw/zinc/14/79/03/467147903.db2.gz HDRACIZNJWVHQM-JFIYKMOQSA-N 1 3 332.492 2.276 10 0 EEAEHO COc1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc(OC)c1 ZINC000530249313 467968124 /nfs/dbraw/zinc/96/81/24/467968124.db2.gz VATHCTIWCLXCIY-QGZVFWFLSA-N 1 3 334.460 2.294 10 0 EEAEHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)CN1CC[C@@H](C)C1 ZINC000516876250 468052510 /nfs/dbraw/zinc/05/25/10/468052510.db2.gz RXRLRNHCFSYVBJ-CQSZACIVSA-N 1 3 337.430 2.451 10 0 EEAEHO Cc1nc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)n[nH]1 ZINC000582664647 468574856 /nfs/dbraw/zinc/57/48/56/468574856.db2.gz LHPACGOKVFUVRX-QGZVFWFLSA-N 1 3 325.460 2.442 10 0 EEAEHO Cc1nnc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000582664647 468574859 /nfs/dbraw/zinc/57/48/59/468574859.db2.gz LHPACGOKVFUVRX-QGZVFWFLSA-N 1 3 325.460 2.442 10 0 EEAEHO COC(=O)c1cc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cn1C ZINC000592376525 468685348 /nfs/dbraw/zinc/68/53/48/468685348.db2.gz ZMLIYYCWJSPCEX-MSOLQXFVSA-N 1 3 341.455 2.247 10 0 EEAEHO CN(C(=O)N[C@@H](C[NH3+])C1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000561213149 468876354 /nfs/dbraw/zinc/87/63/54/468876354.db2.gz WOQYDOAKCSTHQP-MOPGFXCFSA-N 1 3 344.503 2.420 10 0 EEAEHO COC(=O)c1cc2c(o1)c(OC)ccc2CNCCC[NH+]1CCC1 ZINC000572256495 468908753 /nfs/dbraw/zinc/90/87/53/468908753.db2.gz NUNKQKVDLOMMQP-UHFFFAOYSA-N 1 3 332.400 2.413 10 0 EEAEHO CC1CC[NH+](CCCNC(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000625944373 469444324 /nfs/dbraw/zinc/44/43/24/469444324.db2.gz CLFWMNSWDJRQHR-UHFFFAOYSA-N 1 3 346.475 2.412 10 0 EEAEHO C[N@@H+]1CC[C@@H](NC[C@H]2CN(Cc3ccccc3)CCO2)CC1(C)C ZINC000623340467 469629345 /nfs/dbraw/zinc/62/93/45/469629345.db2.gz JGLMWIPTSARQTG-MOPGFXCFSA-N 1 3 331.504 2.350 10 0 EEAEHO C[N@H+]1CC[C@@H](NC[C@H]2CN(Cc3ccccc3)CCO2)CC1(C)C ZINC000623340467 469629348 /nfs/dbraw/zinc/62/93/48/469629348.db2.gz JGLMWIPTSARQTG-MOPGFXCFSA-N 1 3 331.504 2.350 10 0 EEAEHO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(C)C(C)(C)C2)N2CCOCC2)o1 ZINC000623344579 469631044 /nfs/dbraw/zinc/63/10/44/469631044.db2.gz ULYQUZJPXBBMSC-SJORKVTESA-N 1 3 335.492 2.424 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000627017229 469791338 /nfs/dbraw/zinc/79/13/38/469791338.db2.gz SWPOROOXPREKOC-OTWHNJEPSA-N 1 3 344.503 2.337 10 0 EEAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627197764 469841226 /nfs/dbraw/zinc/84/12/26/469841226.db2.gz NVGAVQBSNQWKEM-CRAIPNDOSA-N 1 3 332.492 2.420 10 0 EEAEHO Cc1cc(NCCN2CC[C@@H](O)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000624677568 470001755 /nfs/dbraw/zinc/00/17/55/470001755.db2.gz IHDZOCHGFBSAGA-GFCCVEGCSA-N 1 3 337.370 2.045 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000631769818 470182444 /nfs/dbraw/zinc/18/24/44/470182444.db2.gz PPVPQMYUJFHJGO-DSLXNQLJSA-N 1 3 329.488 2.496 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC[N@H+]1C ZINC000631769818 470182445 /nfs/dbraw/zinc/18/24/45/470182445.db2.gz PPVPQMYUJFHJGO-DSLXNQLJSA-N 1 3 329.488 2.496 10 0 EEAEHO C[C@](O)(C[C@H](O)CNCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000634639695 470272872 /nfs/dbraw/zinc/27/28/72/470272872.db2.gz NRSNOMQYPYOSCC-PMACEKPBSA-N 1 3 332.488 2.284 10 0 EEAEHO C[C@H](CNC(=O)N1CCc2ccccc2[C@@H]1CN)C[NH+]1CCCCC1 ZINC000646185791 470558990 /nfs/dbraw/zinc/55/89/90/470558990.db2.gz JBPYBFVCNURGEB-APWZRJJASA-N 1 3 344.503 2.376 10 0 EEAEHO C[C@H]([NH2+]CCCc1ncn(C)n1)c1cccc(OCCN(C)C)c1 ZINC000647325422 470882419 /nfs/dbraw/zinc/88/24/19/470882419.db2.gz FVWOYYLETMQYKQ-HNNXBMFYSA-N 1 3 331.464 2.039 10 0 EEAEHO CCS(=O)(=O)c1c(Cl)cccc1CNCCC1(C[NH3+])CC1 ZINC000650713750 470948598 /nfs/dbraw/zinc/94/85/98/470948598.db2.gz AHTXDFDXZIJESJ-UHFFFAOYSA-N 1 3 330.881 2.352 10 0 EEAEHO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000644577866 470986275 /nfs/dbraw/zinc/98/62/75/470986275.db2.gz NCHAHOOYJBFXEA-NXEWRWPSSA-N 1 3 331.504 2.084 10 0 EEAEHO CN1CC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@H]1c1ccccc1 ZINC000654509524 471046346 /nfs/dbraw/zinc/04/63/46/471046346.db2.gz BNUVWDZHZJQJER-BZZMCLGOSA-N 1 3 330.476 2.071 10 0 EEAEHO OC1(C[NH2+][C@H]2CCCn3nccc32)CCN(Cc2ccccc2)CC1 ZINC000658034856 471261542 /nfs/dbraw/zinc/26/15/42/471261542.db2.gz LKFMPKURLGNSMB-SFHVURJKSA-N 1 3 340.471 2.335 10 0 EEAEHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1nc2ccccc2n1C ZINC000658107702 471266380 /nfs/dbraw/zinc/26/63/80/471266380.db2.gz NKBVISXCSMTGLB-HOTGVXAUSA-N 1 3 331.508 2.496 10 0 EEAEHO CCN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000663698550 471481796 /nfs/dbraw/zinc/48/17/96/471481796.db2.gz ZECDLEKDQFPGGB-MOPGFXCFSA-N 1 3 344.503 2.387 10 0 EEAEHO CCN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000663698550 471481799 /nfs/dbraw/zinc/48/17/99/471481799.db2.gz ZECDLEKDQFPGGB-MOPGFXCFSA-N 1 3 344.503 2.387 10 0 EEAEHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000666664735 471488492 /nfs/dbraw/zinc/48/84/92/471488492.db2.gz LMPXZDBGHBSRAZ-SJLPKXTDSA-N 1 3 332.492 2.049 10 0 EEAEHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000666664735 471488493 /nfs/dbraw/zinc/48/84/93/471488493.db2.gz LMPXZDBGHBSRAZ-SJLPKXTDSA-N 1 3 332.492 2.049 10 0 EEAEHO [NH3+][C@H](CC(=O)Nc1ccc([C@H]2CNCCO2)cc1)c1ccccc1 ZINC000659371075 471596505 /nfs/dbraw/zinc/59/65/05/471596505.db2.gz YNQDXFUVIXIFAR-QZTJIDSGSA-N 1 3 325.412 2.376 10 0 EEAEHO C[C@@H](NC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)C1=CCN(C)CC1 ZINC000659479136 471648875 /nfs/dbraw/zinc/64/88/75/471648875.db2.gz HLRBEJJCFXYNET-QAPCUYQASA-N 1 3 334.508 2.058 10 0 EEAEHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CC[C@@H](F)[C@H](N)C1)[NH+](C)C ZINC000659491848 471653934 /nfs/dbraw/zinc/65/39/34/471653934.db2.gz DMLIRQUKLIDSKC-RKTXRCNFSA-N 1 3 336.455 2.067 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)n1ccc(C)n1 ZINC000667811675 471917055 /nfs/dbraw/zinc/91/70/55/471917055.db2.gz SBZXHPCSYTWJGY-MSOLQXFVSA-N 1 3 349.523 2.017 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)n1ccc(C)n1 ZINC000667811675 471917058 /nfs/dbraw/zinc/91/70/58/471917058.db2.gz SBZXHPCSYTWJGY-MSOLQXFVSA-N 1 3 349.523 2.017 10 0 EEAEHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000662871652 472284958 /nfs/dbraw/zinc/28/49/58/472284958.db2.gz BOGMSMGXUMUQBR-IBGZPJMESA-N 1 3 341.499 2.437 10 0 EEAEHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000662871652 472284960 /nfs/dbraw/zinc/28/49/60/472284960.db2.gz BOGMSMGXUMUQBR-IBGZPJMESA-N 1 3 341.499 2.437 10 0 EEAEHO CN(C)[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000673770520 485524815 /nfs/dbraw/zinc/52/48/15/485524815.db2.gz CEFUIPQUFPHRJF-CVEARBPZSA-N 1 3 338.883 2.336 10 0 EEAEHO CN(C)[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000673770520 485524828 /nfs/dbraw/zinc/52/48/28/485524828.db2.gz CEFUIPQUFPHRJF-CVEARBPZSA-N 1 3 338.883 2.336 10 0 EEAEHO CN(Cc1ccccc1)C[C@H](O)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000673855999 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Cc1cc([C@H](N)CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(Cl)n1 ZINC000870973630 1200983739 /nfs/dbraw/zinc/98/37/39/1200983739.db2.gz CUIGFCYTDBRLTK-FAAHXZRKSA-N 1 3 336.867 2.080 10 0 EEAEHO C[C@]12CN(CCC(=O)N3CCCC3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880022023 1201350771 /nfs/dbraw/zinc/35/07/71/1201350771.db2.gz KHPHESCNVMBWOP-PZJWPPBQSA-N 1 3 341.499 2.453 10 0 EEAEHO C[C@]12CN(CCC(=O)N3CCCC3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000880022023 1201350780 /nfs/dbraw/zinc/35/07/80/1201350780.db2.gz KHPHESCNVMBWOP-PZJWPPBQSA-N 1 3 341.499 2.453 10 0 EEAEHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000866697295 1201582870 /nfs/dbraw/zinc/58/28/70/1201582870.db2.gz MIUGBKSEKNOMDJ-AABGKKOBSA-N 1 3 332.488 2.341 10 0 EEAEHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000866697295 1201582872 /nfs/dbraw/zinc/58/28/72/1201582872.db2.gz MIUGBKSEKNOMDJ-AABGKKOBSA-N 1 3 332.488 2.341 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC/C=C/CNCc2cccc(Cl)c2)C1 ZINC001274498038 1205057787 /nfs/dbraw/zinc/05/77/87/1205057787.db2.gz CTJYPVMQDPOSQH-WOMSROEHSA-N 1 3 335.879 2.444 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC/C=C/CNCc2cccc(Cl)c2)C1 ZINC001274498038 1205057789 /nfs/dbraw/zinc/05/77/89/1205057789.db2.gz CTJYPVMQDPOSQH-WOMSROEHSA-N 1 3 335.879 2.444 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C\C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001274577590 1205085386 /nfs/dbraw/zinc/08/53/86/1205085386.db2.gz BDVSMTQXQCXMDS-UPHRSURJSA-N 1 3 327.472 2.033 10 0 EEAEHO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925521868 1206122429 /nfs/dbraw/zinc/12/24/29/1206122429.db2.gz KQKJCGSLWXMLQK-NEWSRXKRSA-N 1 3 328.504 2.057 10 0 EEAEHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CCN(C(=O)CCc3ccccc3)C1)[NH2+]2 ZINC000925551060 1206126458 /nfs/dbraw/zinc/12/64/58/1206126458.db2.gz DYULUGLTTRVOHO-HKUYMTLNSA-N 1 3 341.499 2.339 10 0 EEAEHO C[C@@H](NCCN1CCC([NH3+])CC1)c1nc2ccc(Cl)cc2n1C ZINC000925814444 1206156797 /nfs/dbraw/zinc/15/67/97/1206156797.db2.gz JMGIAYBBUDRJJI-GFCCVEGCSA-N 1 3 335.883 2.300 10 0 EEAEHO CCCN(C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)[C@H]1CCN(C)C1 ZINC000925915420 1206167589 /nfs/dbraw/zinc/16/75/89/1206167589.db2.gz LYASJXJBOVFCQU-ROUUACIJSA-N 1 3 347.507 2.200 10 0 EEAEHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000930113391 1206535471 /nfs/dbraw/zinc/53/54/71/1206535471.db2.gz LOBCXQWRAATZEF-CABCVRRESA-N 1 3 337.430 2.054 10 0 EEAEHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000930113391 1206535473 /nfs/dbraw/zinc/53/54/73/1206535473.db2.gz LOBCXQWRAATZEF-CABCVRRESA-N 1 3 337.430 2.054 10 0 EEAEHO Cc1ccc([C@H](CNC(=O)C23CC[NH+](CC2)C3)N2CCCC2)cc1 ZINC000900435378 1234352947 /nfs/dbraw/zinc/35/29/47/1234352947.db2.gz MINMDZITCBRZCT-SFHVURJKSA-N 1 3 327.472 2.344 10 0 EEAEHO [NH3+][C@@H]1CC[C@H](CN2CCN(Cc3nc(-c4cccs4)no3)CC2)C1 ZINC000903442197 1240485262 /nfs/dbraw/zinc/48/52/62/1240485262.db2.gz JTLQXJFUUGLPQN-UONOGXRCSA-N 1 3 347.488 2.043 10 0 EEAEHO Cn1cc(C[NH2+]C[C@H]2CNCCC2(F)F)c(-c2cccs2)n1 ZINC000903955510 1242702725 /nfs/dbraw/zinc/70/27/25/1242702725.db2.gz TYCUSFOIKFMKLF-GFCCVEGCSA-N 1 3 326.416 2.483 10 0 EEAEHO Cc1cccc(OCC[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001490947896 1258501461 /nfs/dbraw/zinc/50/14/61/1258501461.db2.gz CFFQXJLSSRAOMG-ZHALLVOQSA-N 1 3 347.503 2.197 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001491159901 1258736278 /nfs/dbraw/zinc/73/62/78/1258736278.db2.gz FGGDAAPCSNNTCA-RTBURBONSA-N 1 3 331.504 2.398 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001491454989 1259097995 /nfs/dbraw/zinc/09/79/95/1259097995.db2.gz NIXOZZKMKRLSKZ-QFBILLFUSA-N 1 3 346.519 2.220 10 0 EEAEHO Cc1ncccc1C[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001267893707 1276787092 /nfs/dbraw/zinc/78/70/92/1276787092.db2.gz PHUFPNCBDAZTSB-MRXNPFEDSA-N 1 3 341.459 2.074 10 0 EEAEHO CN(C(=O)C1(NC2CC2)CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000852865604 1292220223 /nfs/dbraw/zinc/22/02/23/1292220223.db2.gz JNSGYGMEXUPUCZ-UHFFFAOYSA-N 1 3 331.460 2.265 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCc1cccnc1Cl ZINC000855344897 1293182578 /nfs/dbraw/zinc/18/25/78/1293182578.db2.gz IPFAHEPIRTXKCJ-AWEZNQCLSA-N 1 3 340.899 2.056 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCc1cccnc1Cl ZINC000855344897 1293182579 /nfs/dbraw/zinc/18/25/79/1293182579.db2.gz IPFAHEPIRTXKCJ-AWEZNQCLSA-N 1 3 340.899 2.056 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccc(Cl)nc1 ZINC000855345474 1293184661 /nfs/dbraw/zinc/18/46/61/1293184661.db2.gz BECZSCPLMKAQDT-KGXGESDWSA-N 1 3 338.883 2.136 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccc(Cl)nc1 ZINC000855345474 1293184665 /nfs/dbraw/zinc/18/46/65/1293184665.db2.gz BECZSCPLMKAQDT-KGXGESDWSA-N 1 3 338.883 2.136 10 0 EEAEHO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C[C@@H]3CCC(=O)O3)C2)ccn1 ZINC000856605437 1293579421 /nfs/dbraw/zinc/57/94/21/1293579421.db2.gz WXKZWDQQVPRWPN-ZWKOTPCHSA-N 1 3 347.459 2.081 10 0 EEAEHO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C[C@@H]3CCC(=O)O3)C2)ccn1 ZINC000856605437 1293579430 /nfs/dbraw/zinc/57/94/30/1293579430.db2.gz WXKZWDQQVPRWPN-ZWKOTPCHSA-N 1 3 347.459 2.081 10 0 EEAEHO CC[N@@H+]1CC[C@H](NCCOCCN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000858500305 1294135500 /nfs/dbraw/zinc/13/55/00/1294135500.db2.gz AFRDFFODTHGXSG-HOTGVXAUSA-N 1 3 343.512 2.190 10 0 EEAEHO CC[N@H+]1CC[C@H](NCCOCCN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000858500305 1294135504 /nfs/dbraw/zinc/13/55/04/1294135504.db2.gz AFRDFFODTHGXSG-HOTGVXAUSA-N 1 3 343.512 2.190 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)cc2)CC1 ZINC000859622962 1294554265 /nfs/dbraw/zinc/55/42/65/1294554265.db2.gz QDVDVTHNYMUZCY-NVXWUHKLSA-N 1 3 345.491 2.091 10 0 EEAEHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCc3nnn(C)c3C2)CC1 ZINC000927150809 1297038145 /nfs/dbraw/zinc/03/81/45/1297038145.db2.gz OIBQKJUEUGTIJU-HFTRVMKXSA-N 1 3 331.508 2.305 10 0 EEAEHO C[C@@H]1CC[N@H+](CC(=O)NCCCN(CCC(F)(F)F)C2CC2)C1 ZINC001266159194 1323729085 /nfs/dbraw/zinc/72/90/85/1323729085.db2.gz ICYCYSRPKCUUQJ-CYBMUJFWSA-N 1 3 335.414 2.251 10 0 EEAEHO C[C@@H]1CC[N@@H+](CC(=O)NCCCN(CCC(F)(F)F)C2CC2)C1 ZINC001266159194 1323729093 /nfs/dbraw/zinc/72/90/93/1323729093.db2.gz ICYCYSRPKCUUQJ-CYBMUJFWSA-N 1 3 335.414 2.251 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CCOCC1 ZINC001277186590 1301720877 /nfs/dbraw/zinc/72/08/77/1301720877.db2.gz IICXMZFNJHINRE-FUHWJXTLSA-N 1 3 339.524 2.160 10 0 EEAEHO CN(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC000841866679 1315626263 /nfs/dbraw/zinc/62/62/63/1315626263.db2.gz GIMSPSPJUAYERV-OPQOLIRYSA-N 1 3 330.476 2.343 10 0 EEAEHO CC(C)[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001278573392 1317261969 /nfs/dbraw/zinc/26/19/69/1317261969.db2.gz WDOYBXGQLNRMCO-DZGCQCFKSA-N 1 3 337.430 2.353 10 0 EEAEHO CC(C)OCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001278585782 1317280191 /nfs/dbraw/zinc/28/01/91/1317280191.db2.gz OCCLZJNJRCQEKE-IRXDYDNUSA-N 1 3 339.524 2.160 10 0 EEAEHO CCC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C(F)(F)F ZINC001278705638 1317804058 /nfs/dbraw/zinc/80/40/58/1317804058.db2.gz XSIWWVHXZFIJPL-LSDHHAIUSA-N 1 3 349.441 2.355 10 0 EEAEHO COc1cc(C[N@H+](C)CCCNC(=O)[C@H]2CCCN2C)ccc1C ZINC001264970309 1322821288 /nfs/dbraw/zinc/82/12/88/1322821288.db2.gz CWIUBHOITKEZND-QGZVFWFLSA-N 1 3 333.476 2.036 10 0 EEAEHO COc1cc(C[N@@H+](C)CCCNC(=O)[C@H]2CCCN2C)ccc1C ZINC001264970309 1322821291 /nfs/dbraw/zinc/82/12/91/1322821291.db2.gz CWIUBHOITKEZND-QGZVFWFLSA-N 1 3 333.476 2.036 10 0 EEAEHO Cc1cccc(OCC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001265566204 1323222242 /nfs/dbraw/zinc/22/22/42/1323222242.db2.gz CFFQXJLSSRAOMG-ZIFCJYIRSA-N 1 3 347.503 2.197 10 0 EEAEHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCOc1ccccc1)N(C)C ZINC001265673387 1323312958 /nfs/dbraw/zinc/31/29/58/1323312958.db2.gz DXYOEYHGTQJUKG-PKOBYXMFSA-N 1 3 347.503 2.376 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCOc2c(C)cccc2C)C1)N(C)C ZINC001265940065 1323503686 /nfs/dbraw/zinc/50/36/86/1323503686.db2.gz JJVPBZNEPSOXFB-ROUUACIJSA-N 1 3 347.503 2.213 10 0 EEAEHO Cc1cccc(CCC[NH2+][C@H](C)CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001491579464 1330172110 /nfs/dbraw/zinc/17/21/10/1330172110.db2.gz LJOHZCWLZVTWOT-ZWKOTPCHSA-N 1 3 331.504 2.364 10 0 EEAEHO C[NH+](C)CCc1ccccc1C(=O)N1CCCC[C@H]1CNCCF ZINC001317187340 1332121466 /nfs/dbraw/zinc/12/14/66/1332121466.db2.gz AMLBDDKPLGZKAY-KRWDZBQOSA-N 1 3 335.467 2.345 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CCC[C@H](CC[NH2+]Cc3ccccn3)C2)C1 ZINC001318831830 1332607063 /nfs/dbraw/zinc/60/70/63/1332607063.db2.gz YCDBFHISPYYPNI-ZWKOTPCHSA-N 1 3 344.503 2.142 10 0 EEAEHO COc1cccc([C@H](C)[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001322647859 1333300719 /nfs/dbraw/zinc/30/07/19/1333300719.db2.gz HUVQOOQVVLXEGH-MAUKXSAKSA-N 1 3 333.476 2.289 10 0 EEAEHO COCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C ZINC001323650787 1333509592 /nfs/dbraw/zinc/50/95/92/1333509592.db2.gz YYKAVFXALLHGGW-FBVQUNGASA-N 1 3 337.508 2.009 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC=C(Cl)Cl)C1 ZINC001324772974 1333756890 /nfs/dbraw/zinc/75/68/90/1333756890.db2.gz WDPIDJWDUPIUQK-DOMZBBRYSA-N 1 3 334.291 2.228 10 0 EEAEHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C[NH2+]CCCF ZINC001325598307 1333920650 /nfs/dbraw/zinc/92/06/50/1333920650.db2.gz JFKHGPUUGUDIRL-YJBOKZPZSA-N 1 3 335.467 2.406 10 0 EEAEHO C[C@@H](CCC[NH2+]Cc1ccnn1C)NC(=O)C(C)(C)N1CCCCC1 ZINC001330812196 1334907410 /nfs/dbraw/zinc/90/74/10/1334907410.db2.gz NESAPYWGQYVVIN-INIZCTEOSA-N 1 3 349.523 2.059 10 0 EEAEHO C[C@@H](CCCNCc1cccc(F)c1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001330976522 1334939638 /nfs/dbraw/zinc/93/96/38/1334939638.db2.gz JLFYZVHTGRVOGE-DZGCQCFKSA-N 1 3 339.430 2.291 10 0 EEAEHO C[C@@H](CCCNCc1cccc(F)c1F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001330976522 1334939641 /nfs/dbraw/zinc/93/96/41/1334939641.db2.gz JLFYZVHTGRVOGE-DZGCQCFKSA-N 1 3 339.430 2.291 10 0 EEAEHO Cc1cncc(CN[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC2(C)C)c1 ZINC001332436507 1335823915 /nfs/dbraw/zinc/82/39/15/1335823915.db2.gz FBFROYQNMOCYMO-GOSISDBHSA-N 1 3 346.519 2.449 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001676968940 1357251735 /nfs/dbraw/zinc/25/17/35/1357251735.db2.gz FDSWWPKMGYEHFY-NWDGAFQWSA-N 1 3 332.370 2.088 10 0 EEAEHO C[C@H](O)CCC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C(C)(C)C ZINC001677272432 1357305628 /nfs/dbraw/zinc/30/56/28/1357305628.db2.gz RBTGYXUZIICVAV-JKSUJKDBSA-N 1 3 341.540 2.142 10 0 EEAEHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C(C)(C)C)N(C)C ZINC001677296611 1357309171 /nfs/dbraw/zinc/30/91/71/1357309171.db2.gz AZFYOJHVOBODEP-RYUDHWBXSA-N 1 3 325.419 2.400 10 0 EEAEHO CC(C)N(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccccc1F ZINC001649440079 1353506036 /nfs/dbraw/zinc/50/60/36/1353506036.db2.gz JDYZQDUBUQIVRZ-QGZVFWFLSA-N 1 3 335.467 2.494 10 0 EEAEHO CC(C)N(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1F ZINC001649440079 1353506038 /nfs/dbraw/zinc/50/60/38/1353506038.db2.gz JDYZQDUBUQIVRZ-QGZVFWFLSA-N 1 3 335.467 2.494 10 0 EEAEHO CCc1ccccc1CC[NH2+]CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001649441330 1353506665 /nfs/dbraw/zinc/50/66/65/1353506665.db2.gz WEPIKODHNYVLSA-QGZVFWFLSA-N 1 3 331.504 2.181 10 0 EEAEHO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(CN4CCCC4)c3)[C@@H]2C1 ZINC001650608221 1354020255 /nfs/dbraw/zinc/02/02/55/1354020255.db2.gz YKHCZLQULQAILO-IPMKNSEASA-N 1 3 327.472 2.352 10 0 EEAEHO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(CN4CCCC4)c3)[C@@H]2C1 ZINC001650608221 1354020260 /nfs/dbraw/zinc/02/02/60/1354020260.db2.gz YKHCZLQULQAILO-IPMKNSEASA-N 1 3 327.472 2.352 10 0 EEAEHO CC(C)OC(=O)C[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)C(C)C ZINC001659198448 1354376881 /nfs/dbraw/zinc/37/68/81/1354376881.db2.gz WDMDPNNAJSIRFP-SFHVURJKSA-N 1 3 341.540 2.358 10 0 EEAEHO Cc1cccnc1CN(C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001660278317 1354429600 /nfs/dbraw/zinc/42/96/00/1354429600.db2.gz WTRWXFXKRVIXLU-IRXDYDNUSA-N 1 3 332.492 2.058 10 0 EEAEHO Cc1cccnc1CN(C)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001660278317 1354429602 /nfs/dbraw/zinc/42/96/02/1354429602.db2.gz WTRWXFXKRVIXLU-IRXDYDNUSA-N 1 3 332.492 2.058 10 0 EEAEHO CCOCCCN1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001660845443 1354550125 /nfs/dbraw/zinc/55/01/25/1354550125.db2.gz XTGQFGJSKPUYMG-ZWKOTPCHSA-N 1 3 339.524 2.258 10 0 EEAEHO CCOCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001660845443 1354550129 /nfs/dbraw/zinc/55/01/29/1354550129.db2.gz XTGQFGJSKPUYMG-ZWKOTPCHSA-N 1 3 339.524 2.258 10 0 EEAEHO CCOCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001660845443 1354550131 /nfs/dbraw/zinc/55/01/31/1354550131.db2.gz XTGQFGJSKPUYMG-ZWKOTPCHSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@@H](O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001663124062 1354924269 /nfs/dbraw/zinc/92/42/69/1354924269.db2.gz QBDOFDJHBQOGTC-APWZRJJASA-N 1 3 347.503 2.103 10 0 EEAEHO C[C@@H](O)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001663124062 1354924272 /nfs/dbraw/zinc/92/42/72/1354924272.db2.gz QBDOFDJHBQOGTC-APWZRJJASA-N 1 3 347.503 2.103 10 0 EEAEHO CC(C)OCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001663493085 1354971341 /nfs/dbraw/zinc/97/13/41/1354971341.db2.gz LLRSYRCXRGGIQB-ROUUACIJSA-N 1 3 339.524 2.255 10 0 EEAEHO CC(C)OCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001663493085 1354971344 /nfs/dbraw/zinc/97/13/44/1354971344.db2.gz LLRSYRCXRGGIQB-ROUUACIJSA-N 1 3 339.524 2.255 10 0 EEAEHO CN(C)C1(C(=O)N(C)CC[NH2+]Cc2cc3ccccc3o2)CCC1 ZINC001663981659 1355066727 /nfs/dbraw/zinc/06/67/27/1355066727.db2.gz OSSKZDBSQPNTSG-UHFFFAOYSA-N 1 3 329.444 2.465 10 0 EEAEHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1C[NH2+]CCc1ccccc1 ZINC001667395396 1355731748 /nfs/dbraw/zinc/73/17/48/1355731748.db2.gz ZVNJXWRFUYWDIB-APWZRJJASA-N 1 3 340.471 2.412 10 0 EEAEHO CCN(CCNCc1ccc(F)c(Cl)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001668641263 1355978358 /nfs/dbraw/zinc/97/83/58/1355978358.db2.gz OQKUBQDJEJJAEC-AWEZNQCLSA-N 1 3 341.858 2.369 10 0 EEAEHO CCN(CCNCc1ccc(F)c(Cl)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001668641263 1355978361 /nfs/dbraw/zinc/97/83/61/1355978361.db2.gz OQKUBQDJEJJAEC-AWEZNQCLSA-N 1 3 341.858 2.369 10 0 EEAEHO CN(CC(=O)NC/C=C/C[NH2+][C@@H]1CCc2ccccc21)C1CCC1 ZINC001668865539 1356028325 /nfs/dbraw/zinc/02/83/25/1356028325.db2.gz ZMUDOHYUQVIZDC-VZSQWMKGSA-N 1 3 327.472 2.420 10 0 EEAEHO CN(CC(=O)NC/C=C\C[NH2+][C@@H]1CCc2ccccc21)C1CCC1 ZINC001668865537 1356028694 /nfs/dbraw/zinc/02/86/94/1356028694.db2.gz ZMUDOHYUQVIZDC-PHWHVTFISA-N 1 3 327.472 2.420 10 0 EEAEHO Cc1cccc(C)c1OCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCN1C ZINC001668977207 1356058881 /nfs/dbraw/zinc/05/88/81/1356058881.db2.gz DWUQEVWSBZNFKM-PYTPGESOSA-N 1 3 345.487 2.038 10 0 EEAEHO CC1CCN(CC(=O)N2CC[C@@](C)(C[NH2+]C/C=C/Cl)C2)CC1 ZINC001671794858 1356416249 /nfs/dbraw/zinc/41/62/49/1356416249.db2.gz HHWUZHRVEGESBT-GALSZHCDSA-N 1 3 327.900 2.299 10 0 EEAEHO CCCCOCC[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001673982438 1356767526 /nfs/dbraw/zinc/76/75/26/1356767526.db2.gz XYSANEZNGDSPRL-QGZVFWFLSA-N 1 3 339.524 2.116 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]CCc3ccccc3F)C2)C1 ZINC001674579311 1356860127 /nfs/dbraw/zinc/86/01/27/1356860127.db2.gz XCGKQLKWCZBMLZ-HJOIGYKYSA-N 1 3 347.478 2.194 10 0 EEAEHO C[C@H](NCc1ccnc(Cl)c1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001674720818 1356882915 /nfs/dbraw/zinc/88/29/15/1356882915.db2.gz CWIGJKARADVTBR-STQMWFEESA-N 1 3 326.872 2.060 10 0 EEAEHO COCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001698954415 1405187322 /nfs/dbraw/zinc/18/73/22/1405187322.db2.gz UEFYXINAWSSWCQ-QFBILLFUSA-N 1 3 347.503 2.225 10 0 EEAEHO C[C@H](CC[NH2+]Cc1ccc(F)cc1F)NC(=O)CN(C)C1CCC1 ZINC001699105785 1405260899 /nfs/dbraw/zinc/26/08/99/1405260899.db2.gz XYHUVYQPOFGJPW-CYBMUJFWSA-N 1 3 339.430 2.434 10 0 EEAEHO Cc1cc(C)cc([C@H](O)C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000819085328 785395063 /nfs/dbraw/zinc/39/50/63/785395063.db2.gz UFLAAJXXDIFCLZ-FXAWDEMLSA-N 1 3 332.488 2.427 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nsc2ccccc21 ZINC000912302655 788096487 /nfs/dbraw/zinc/09/64/87/788096487.db2.gz FWRMOIZCFJDJGF-ZDUSSCGKSA-N 1 3 334.489 2.298 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nsc2ccccc21 ZINC000912302655 788096499 /nfs/dbraw/zinc/09/64/99/788096499.db2.gz FWRMOIZCFJDJGF-ZDUSSCGKSA-N 1 3 334.489 2.298 10 0 EEAEHO CCN1CCN(c2ccc(C(=O)NCCCCCC[NH3+])cc2)CC1 ZINC000844200035 788921319 /nfs/dbraw/zinc/92/13/19/788921319.db2.gz GGELHXLUJUZJLF-UHFFFAOYSA-N 1 3 332.492 2.077 10 0 EEAEHO CCCCN(CCCC)C(=O)CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455340 789571399 /nfs/dbraw/zinc/57/13/99/789571399.db2.gz SRJFTFMFAPDMDU-QGZVFWFLSA-N 1 3 339.524 2.245 10 0 EEAEHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001436474320 1087941292 /nfs/dbraw/zinc/94/12/92/1087941292.db2.gz GKNRRMBENGGCRD-ROUUACIJSA-N 1 3 339.524 2.258 10 0 EEAEHO CO[C@@H](CN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C)c1ccccc1 ZINC001436481591 1087964682 /nfs/dbraw/zinc/96/46/82/1087964682.db2.gz OCHYXMXBTVDWTB-NEWSRXKRSA-N 1 3 347.503 2.295 10 0 EEAEHO CC(C)OCCN1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001436492468 1087992918 /nfs/dbraw/zinc/99/29/18/1087992918.db2.gz WGIKAIVQUXTVPL-SQNIBIBYSA-N 1 3 339.524 2.111 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]C/C(Cl)=C/Cl)C1)N(C)C ZINC001437015736 1088801666 /nfs/dbraw/zinc/80/16/66/1088801666.db2.gz AVPXLLQGMKFRJC-LRZCHELBSA-N 1 3 336.307 2.474 10 0 EEAEHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCc2c1cc(F)cc2F ZINC001437233768 1089329496 /nfs/dbraw/zinc/32/94/96/1089329496.db2.gz GGFAQKZNDWQAJY-YVEFUNNKSA-N 1 3 349.425 2.142 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccnc1C ZINC001437426310 1089716732 /nfs/dbraw/zinc/71/67/32/1089716732.db2.gz HHXMCLHGJIQCOR-CRAIPNDOSA-N 1 3 332.492 2.249 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCC[C@H]2CC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC001437936724 1090529184 /nfs/dbraw/zinc/52/91/84/1090529184.db2.gz FDNHCRUGVAUOCL-SJORKVTESA-N 1 3 347.478 2.496 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCC[C@H]2CC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC001437936724 1090529189 /nfs/dbraw/zinc/52/91/89/1090529189.db2.gz FDNHCRUGVAUOCL-SJORKVTESA-N 1 3 347.478 2.496 10 0 EEAEHO Cc1nsc(C)c1C[NH2+]C[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001438495495 1090993539 /nfs/dbraw/zinc/99/35/39/1090993539.db2.gz ADSRXTMIRYISSB-LBPRGKRZSA-N 1 3 338.521 2.086 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001445395942 1091140949 /nfs/dbraw/zinc/14/09/49/1091140949.db2.gz QJBSNZGEQAYLFL-BFQNTYOBSA-N 1 3 327.419 2.460 10 0 EEAEHO C[C@H](CNCc1cncc(F)c1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001438672917 1091164998 /nfs/dbraw/zinc/16/49/98/1091164998.db2.gz FTHFRJXWSNEIHJ-CQSZACIVSA-N 1 3 336.455 2.032 10 0 EEAEHO Cc1cccnc1CNC[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001438710956 1091226824 /nfs/dbraw/zinc/22/68/24/1091226824.db2.gz GFXMGKZKCZBPPO-IEBWSBKVSA-N 1 3 346.519 2.447 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@@H](C)C1 ZINC001438764538 1091338798 /nfs/dbraw/zinc/33/87/98/1091338798.db2.gz FCNLJWPQIJJRPX-YJBOKZPZSA-N 1 3 335.467 2.493 10 0 EEAEHO C[C@H](NC/C(Cl)=C\Cl)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001438868101 1091506422 /nfs/dbraw/zinc/50/64/22/1091506422.db2.gz YPMVRRNBQUXOPN-OQPMYKDASA-N 1 3 336.307 2.474 10 0 EEAEHO C[C@@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)c1cccc(CN(C)C)c1 ZINC001439287193 1091946270 /nfs/dbraw/zinc/94/62/70/1091946270.db2.gz YSIWNGCVSOCXQP-YJBOKZPZSA-N 1 3 347.503 2.271 10 0 EEAEHO CC(C)OCC[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001439366534 1092092860 /nfs/dbraw/zinc/09/28/60/1092092860.db2.gz NACHMUSQVUCGMP-CRAIPNDOSA-N 1 3 345.503 2.060 10 0 EEAEHO CC(C)OCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001439366534 1092092868 /nfs/dbraw/zinc/09/28/68/1092092868.db2.gz NACHMUSQVUCGMP-CRAIPNDOSA-N 1 3 345.503 2.060 10 0 EEAEHO Cc1ccncc1CNC1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001439632974 1092552347 /nfs/dbraw/zinc/55/23/47/1092552347.db2.gz DBMRJNSQDNUWAA-UHFFFAOYSA-N 1 3 330.476 2.003 10 0 EEAEHO C[NH+](C)CCC(=O)NCC1(NCc2ccc(F)c(Cl)c2)CC1 ZINC001439640179 1092564015 /nfs/dbraw/zinc/56/40/15/1092564015.db2.gz IEEQIHXTYDZJSU-UHFFFAOYSA-N 1 3 327.831 2.169 10 0 EEAEHO Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@@H](C)C2)s1 ZINC001439765132 1092723676 /nfs/dbraw/zinc/72/36/76/1092723676.db2.gz PWJTYRNAUNOQPC-DZGCQCFKSA-N 1 3 338.521 2.261 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001440324285 1093464990 /nfs/dbraw/zinc/46/49/90/1093464990.db2.gz ZZJWNTSDGUTCCH-MSEWRSJXSA-N 1 3 343.515 2.500 10 0 EEAEHO C[NH+](C)CCC(=O)N1CCCCC[C@@H](NCc2cncc(F)c2)C1 ZINC001440469177 1093693964 /nfs/dbraw/zinc/69/39/64/1093693964.db2.gz DUFIEHGHSKLCEQ-QGZVFWFLSA-N 1 3 336.455 2.033 10 0 EEAEHO CCC1([NH2+]Cc2cccnc2C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001440530374 1093788801 /nfs/dbraw/zinc/78/88/01/1093788801.db2.gz QSCTUZAIRNUFNP-GOSISDBHSA-N 1 3 344.503 2.345 10 0 EEAEHO CC[N@H+](C)CCC(=O)NC1CC(CNCc2cccc(F)c2F)C1 ZINC001440762348 1094003927 /nfs/dbraw/zinc/00/39/27/1094003927.db2.gz YUVALBUFFONNMC-UHFFFAOYSA-N 1 3 339.430 2.291 10 0 EEAEHO CC[N@@H+](C)CCC(=O)NC1CC(CNCc2cccc(F)c2F)C1 ZINC001440762348 1094003933 /nfs/dbraw/zinc/00/39/33/1094003933.db2.gz YUVALBUFFONNMC-UHFFFAOYSA-N 1 3 339.430 2.291 10 0 EEAEHO C[C@@H](NCc1sccc1Cl)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001440828729 1094080850 /nfs/dbraw/zinc/08/08/50/1094080850.db2.gz CNPLEJRSSILFHU-VXGBXAGGSA-N 1 3 341.908 2.480 10 0 EEAEHO CO[C@@H](C)C[NH+]1CCC([C@@H](C)NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001449353433 1094313701 /nfs/dbraw/zinc/31/37/01/1094313701.db2.gz SEFVHHJOIBDWGA-JKSUJKDBSA-N 1 3 341.540 2.216 10 0 EEAEHO CCc1nc(C)c(CN[C@H]2C[C@H](NC(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001441436498 1095046710 /nfs/dbraw/zinc/04/67/10/1095046710.db2.gz DZTAGKWCZGLOGS-WKILWMFISA-N 1 3 348.491 2.158 10 0 EEAEHO Cc1ncc(CN[C@@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC001441534950 1095248726 /nfs/dbraw/zinc/24/87/26/1095248726.db2.gz IXXMWTUVMHOLSC-ZFWWWQNUSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1ncc(CN[C@@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)s1 ZINC001441534950 1095248736 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CC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000247022995 256015246 /nfs/dbraw/zinc/01/52/46/256015246.db2.gz LVYWPIGOTRUKBO-ZIAGYGMSSA-N 1 3 325.478 2.051 10 0 EEAEHO CC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000247022995 256015247 /nfs/dbraw/zinc/01/52/47/256015247.db2.gz LVYWPIGOTRUKBO-ZIAGYGMSSA-N 1 3 325.478 2.051 10 0 EEAEHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000247022995 256015249 /nfs/dbraw/zinc/01/52/49/256015249.db2.gz LVYWPIGOTRUKBO-ZIAGYGMSSA-N 1 3 325.478 2.051 10 0 EEAEHO CCCN(CC[NH+](C)C)C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000344822202 161248697 /nfs/dbraw/zinc/24/86/97/161248697.db2.gz GHAIAXQEYPARGW-UHFFFAOYSA-N 1 3 346.519 2.242 10 0 EEAEHO COCC[C@@H]1CCCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000368654807 166098652 /nfs/dbraw/zinc/09/86/52/166098652.db2.gz CRMVEVDCOLDPCX-KRWDZBQOSA-N 1 3 339.524 2.114 10 0 EEAEHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000416785423 313315523 /nfs/dbraw/zinc/31/55/23/313315523.db2.gz KWPPMQRBRZFTAZ-CEXWTWQISA-N 1 3 342.487 2.217 10 0 EEAEHO [NH3+][C@H]1CCO[C@H](C2CCN(CCOCCOc3ccccc3)CC2)C1 ZINC000420385793 313947390 /nfs/dbraw/zinc/94/73/90/313947390.db2.gz IBOIMWFEYLUXTJ-ICSRJNTNSA-N 1 3 348.487 2.300 10 0 EEAEHO C[C@H]1CCC[C@H](CCNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000525437323 317058602 /nfs/dbraw/zinc/05/86/02/317058602.db2.gz JSEHSALTIFDOCR-DLBZAZTESA-N 1 3 326.529 2.338 10 0 EEAEHO C[C@@H](CNC(=O)Nc1ccc2c(c1F)CCNC2)C[NH+]1CCCC1 ZINC000562769631 318927983 /nfs/dbraw/zinc/92/79/83/318927983.db2.gz RZCDEBOPPMEAEJ-ZDUSSCGKSA-N 1 3 334.439 2.325 10 0 EEAEHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(CN(C)C)c1 ZINC000113594424 462605842 /nfs/dbraw/zinc/60/58/42/462605842.db2.gz XGXAHGRVFDQHBH-MAUKXSAKSA-N 1 3 330.476 2.126 10 0 EEAEHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(CN(C)C)c1 ZINC000113594424 462605848 /nfs/dbraw/zinc/60/58/48/462605848.db2.gz XGXAHGRVFDQHBH-MAUKXSAKSA-N 1 3 330.476 2.126 10 0 EEAEHO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc(OCCN(C)C)cc1 ZINC000090515481 462794846 /nfs/dbraw/zinc/79/48/46/462794846.db2.gz POSRCWVGQSPPJP-AYSMAOOMSA-N 1 3 326.506 2.435 10 0 EEAEHO C[NH+]1CCC(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC1 ZINC000154846117 462814344 /nfs/dbraw/zinc/81/43/44/462814344.db2.gz FLMZBCFWERYYBI-HXUWFJFHSA-N 1 3 329.488 2.499 10 0 EEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000158444837 463235453 /nfs/dbraw/zinc/23/54/53/463235453.db2.gz ZTJSHXOYPOJHME-AEFFLSMTSA-N 1 3 332.492 2.146 10 0 EEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000158444837 463235459 /nfs/dbraw/zinc/23/54/59/463235459.db2.gz ZTJSHXOYPOJHME-AEFFLSMTSA-N 1 3 332.492 2.146 10 0 EEAEHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CCCN(C)C3)C2)CC1 ZINC000590859852 468358855 /nfs/dbraw/zinc/35/88/55/468358855.db2.gz TWRYVTSOSSGPQB-ZWKOTPCHSA-N 1 3 336.524 2.234 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CN1CCCCC1 ZINC000268883911 463793839 /nfs/dbraw/zinc/79/38/39/463793839.db2.gz YNQMAQDLWOWRNI-HLAWJBBLSA-N 1 3 345.531 2.333 10 0 EEAEHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCCN1C)c1ccccc1 ZINC000195122327 463995140 /nfs/dbraw/zinc/99/51/40/463995140.db2.gz JPKRCCZVNYCBFO-ROUUACIJSA-N 1 3 332.492 2.463 10 0 EEAEHO CCCCN1CCC([NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000278938258 464008388 /nfs/dbraw/zinc/00/83/88/464008388.db2.gz XGEBEQHQEYNCPN-UHFFFAOYSA-N 1 3 329.444 2.137 10 0 EEAEHO CC[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000262661061 464037146 /nfs/dbraw/zinc/03/71/46/464037146.db2.gz GJWGACQRHBGNMY-QXAKKESOSA-N 1 3 329.488 2.457 10 0 EEAEHO CN(C)CCOc1cccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000236978402 464247669 /nfs/dbraw/zinc/24/76/69/464247669.db2.gz YJJSIWKUFJHWDJ-NEWSRXKRSA-N 1 3 345.487 2.164 10 0 EEAEHO CCN1CCC[C@@H]1CN(C)C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000174534410 464419958 /nfs/dbraw/zinc/41/99/58/464419958.db2.gz KILPJTQBNXRVDL-GOSISDBHSA-N 1 3 329.488 2.251 10 0 EEAEHO C[C@@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000174833038 464456011 /nfs/dbraw/zinc/45/60/11/464456011.db2.gz CXQJCLNLRCVSSQ-HKUYNNGSSA-N 1 3 342.487 2.163 10 0 EEAEHO C[C@@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000174833038 464456019 /nfs/dbraw/zinc/45/60/19/464456019.db2.gz CXQJCLNLRCVSSQ-HKUYNNGSSA-N 1 3 342.487 2.163 10 0 EEAEHO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245678164 464504321 /nfs/dbraw/zinc/50/43/21/464504321.db2.gz UOUWJQSNVVSJHX-NEWSRXKRSA-N 1 3 344.503 2.463 10 0 EEAEHO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000245678164 464504326 /nfs/dbraw/zinc/50/43/26/464504326.db2.gz UOUWJQSNVVSJHX-NEWSRXKRSA-N 1 3 344.503 2.463 10 0 EEAEHO CCC[NH+]1CCC(N[C@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC000282363991 464790544 /nfs/dbraw/zinc/79/05/44/464790544.db2.gz HUMYPJYEDUDPSX-SFHVURJKSA-N 1 3 345.487 2.130 10 0 EEAEHO C[N@@H+]1CC[C@H](NC[C@@H]2CN(Cc3ccccc3)CCO2)[C@H]2CCC[C@@H]21 ZINC000353444901 465887599 /nfs/dbraw/zinc/88/75/99/465887599.db2.gz GVFIADXWCGEJPV-CGXNFDGLSA-N 1 3 343.515 2.350 10 0 EEAEHO C[N@H+]1CC[C@H](NC[C@@H]2CN(Cc3ccccc3)CCO2)[C@H]2CCC[C@@H]21 ZINC000353444901 465887602 /nfs/dbraw/zinc/88/76/02/465887602.db2.gz GVFIADXWCGEJPV-CGXNFDGLSA-N 1 3 343.515 2.350 10 0 EEAEHO Cc1cnn(CCN(C)[C@H]2CCC[N@H+](CCn3cc(C)cn3)CC2)c1 ZINC000338939915 466502606 /nfs/dbraw/zinc/50/26/06/466502606.db2.gz GUQUDRHBHBMXTC-IBGZPJMESA-N 1 3 344.507 2.183 10 0 EEAEHO Cc1cnn(CCN(C)[C@H]2CCC[N@@H+](CCn3cc(C)cn3)CC2)c1 ZINC000338939915 466502613 /nfs/dbraw/zinc/50/26/13/466502613.db2.gz GUQUDRHBHBMXTC-IBGZPJMESA-N 1 3 344.507 2.183 10 0 EEAEHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000423508340 466761489 /nfs/dbraw/zinc/76/14/89/466761489.db2.gz QOOVSPWUIXFZHX-RDTXWAMCSA-N 1 3 347.484 2.465 10 0 EEAEHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000417087931 466776631 /nfs/dbraw/zinc/77/66/31/466776631.db2.gz IRTYDVJPZGHUOP-YJBOKZPZSA-N 1 3 344.503 2.121 10 0 EEAEHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417656896 466901152 /nfs/dbraw/zinc/90/11/52/466901152.db2.gz VMTAHAJDIRITIW-RTBURBONSA-N 1 3 342.487 2.187 10 0 EEAEHO CCC[NH2+]CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000417728955 466918828 /nfs/dbraw/zinc/91/88/28/466918828.db2.gz BJUMBXVUDHNXOE-ZBFHGGJFSA-N 1 3 338.521 2.430 10 0 EEAEHO C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)C1 ZINC000417739571 466921810 /nfs/dbraw/zinc/92/18/10/466921810.db2.gz QEEVXICSYFHBQO-FMKPAKJESA-N 1 3 336.505 2.134 10 0 EEAEHO CC(C)(C)CC(C)(C)N1CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000418542960 467126052 /nfs/dbraw/zinc/12/60/52/467126052.db2.gz SKMYMYLRCPDRDH-UHFFFAOYSA-N 1 3 336.524 2.448 10 0 EEAEHO C[NH+](C)CC1CCC(NC(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000441523918 467572816 /nfs/dbraw/zinc/57/28/16/467572816.db2.gz LFMIYFGSADEIGP-ABHNRTSZSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@H](Cn1cncn1)NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449098995 467618020 /nfs/dbraw/zinc/61/80/20/467618020.db2.gz LVCXIOJOJUJWHQ-IAGOWNOFSA-N 1 3 327.476 2.352 10 0 EEAEHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529360826 467852179 /nfs/dbraw/zinc/85/21/79/467852179.db2.gz SYBKRDHHWPILIK-KRWDZBQOSA-N 1 3 346.475 2.170 10 0 EEAEHO CN1CCC[C@]2(CCN(C(=O)NC3CC([NH+]4CCCCC4)C3)C2)C1 ZINC000458734175 467887919 /nfs/dbraw/zinc/88/79/19/467887919.db2.gz JRFFITFUMAUSPJ-TVPLGVNVSA-N 1 3 334.508 2.131 10 0 EEAEHO CC(C)(C)OC(=O)C1CCC(O)(C[NH2+]CCCN2CCCC2)CC1 ZINC000600714463 468630140 /nfs/dbraw/zinc/63/01/40/468630140.db2.gz MWBBDFNORWICTG-UHFFFAOYSA-N 1 3 340.508 2.325 10 0 EEAEHO CC(C)(C)OC(=O)C1CCC(O)(CNCCC[NH+]2CCCC2)CC1 ZINC000600714463 468630145 /nfs/dbraw/zinc/63/01/45/468630145.db2.gz MWBBDFNORWICTG-UHFFFAOYSA-N 1 3 340.508 2.325 10 0 EEAEHO C[C@@]1(CNC(=O)NC[C@H]2CCC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000570697316 468679503 /nfs/dbraw/zinc/67/95/03/468679503.db2.gz HXYRUNOHBSILLQ-ICSRJNTNSA-N 1 3 344.503 2.340 10 0 EEAEHO C[C@]1(CNC(=O)N2CCC([NH3+])CC2)CCCN1Cc1ccccc1 ZINC000562813537 469080401 /nfs/dbraw/zinc/08/04/01/469080401.db2.gz BCDSMWJQYZWKGK-LJQANCHMSA-N 1 3 330.476 2.174 10 0 EEAEHO C[C@H](Cc1ccc(Br)cc1)NCC1([NH3+])CCOCC1 ZINC000629522039 469572031 /nfs/dbraw/zinc/57/20/31/469572031.db2.gz VZJQUXQADPPUDR-GFCCVEGCSA-N 1 3 327.266 2.478 10 0 EEAEHO CC1(C)CC(C[N@@H+]2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000629552430 469577170 /nfs/dbraw/zinc/57/71/70/469577170.db2.gz JSKRWGTWJVLISD-INIZCTEOSA-N 1 3 331.508 2.435 10 0 EEAEHO CC1(C)CC(C[N@H+]2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000629552430 469577171 /nfs/dbraw/zinc/57/71/71/469577171.db2.gz JSKRWGTWJVLISD-INIZCTEOSA-N 1 3 331.508 2.435 10 0 EEAEHO CCN1CCN(c2ccc(CN[C@@H]3CC[N@H+](C)C(C)(C)C3)cn2)CC1 ZINC000623359530 469634206 /nfs/dbraw/zinc/63/42/06/469634206.db2.gz VJLPONQWBQNYCA-GOSISDBHSA-N 1 3 345.535 2.186 10 0 EEAEHO CCN1CCN(c2ccc(CN[C@@H]3CC[N@@H+](C)C(C)(C)C3)cn2)CC1 ZINC000623359530 469634211 /nfs/dbraw/zinc/63/42/11/469634211.db2.gz VJLPONQWBQNYCA-GOSISDBHSA-N 1 3 345.535 2.186 10 0 EEAEHO CCN1CCN(c2ccc(C[NH2+][C@@H]3CCN(C)C(C)(C)C3)cn2)CC1 ZINC000623359530 469634217 /nfs/dbraw/zinc/63/42/17/469634217.db2.gz VJLPONQWBQNYCA-GOSISDBHSA-N 1 3 345.535 2.186 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1cccc(Cl)c1F ZINC000617508023 469708304 /nfs/dbraw/zinc/70/83/04/469708304.db2.gz SBLXBJLANPZGKR-ZDUSSCGKSA-N 1 3 343.874 2.410 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1cccc(Cl)c1F ZINC000617508023 469708308 /nfs/dbraw/zinc/70/83/08/469708308.db2.gz SBLXBJLANPZGKR-ZDUSSCGKSA-N 1 3 343.874 2.410 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000627015905 469790654 /nfs/dbraw/zinc/79/06/54/469790654.db2.gz DOAZRSOURDWXHO-NSHGMRRFSA-N 1 3 344.503 2.481 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000627170496 469833321 /nfs/dbraw/zinc/83/33/21/469833321.db2.gz UUFKPAXPUIMOJF-DLBZAZTESA-N 1 3 334.464 2.026 10 0 EEAEHO CCN(C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000627206279 469844736 /nfs/dbraw/zinc/84/47/36/469844736.db2.gz YCMHKSGKVVGMCY-QRQLOZEOSA-N 1 3 344.503 2.433 10 0 EEAEHO COc1ccc(C[C@H](CO)CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1O ZINC000628279227 470086138 /nfs/dbraw/zinc/08/61/38/470086138.db2.gz AMFVJJHBLCRAAD-JKSUJKDBSA-N 1 3 336.476 2.014 10 0 EEAEHO COc1ccc(C[C@H](CO)CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1O ZINC000628279227 470086140 /nfs/dbraw/zinc/08/61/40/470086140.db2.gz AMFVJJHBLCRAAD-JKSUJKDBSA-N 1 3 336.476 2.014 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)NCC(F)(F)CC)CC2)CC1 ZINC000628840520 470161999 /nfs/dbraw/zinc/16/19/99/470161999.db2.gz FEUWJPDKPVXNKU-UHFFFAOYSA-N 1 3 331.451 2.344 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)Nc2cccc(N3CCN(CC)CC3)c2)CC[N@@H+]1C ZINC000632528509 470241963 /nfs/dbraw/zinc/24/19/63/470241963.db2.gz ZOQTVVONABJDMW-RBUKOAKNSA-N 1 3 344.503 2.497 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)Nc2cccc(N3CCN(CC)CC3)c2)CC[N@H+]1C ZINC000632528509 470241965 /nfs/dbraw/zinc/24/19/65/470241965.db2.gz ZOQTVVONABJDMW-RBUKOAKNSA-N 1 3 344.503 2.497 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)Nc2ccc(OCCN(C)C)c(OC)c2)CC[N@@H+]1C ZINC000633455159 470473405 /nfs/dbraw/zinc/47/34/05/470473405.db2.gz QCFMNTUYFUXHTB-JKSUJKDBSA-N 1 3 349.475 2.304 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)Nc2ccc(OCCN(C)C)c(OC)c2)CC[N@H+]1C ZINC000633455159 470473411 /nfs/dbraw/zinc/47/34/11/470473411.db2.gz QCFMNTUYFUXHTB-JKSUJKDBSA-N 1 3 349.475 2.304 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2cccnc2c1 ZINC000633614319 470531345 /nfs/dbraw/zinc/53/13/45/470531345.db2.gz OHDDVLKCKRUDHP-HNNXBMFYSA-N 1 3 328.460 2.237 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2cccnc2c1 ZINC000633614319 470531352 /nfs/dbraw/zinc/53/13/52/470531352.db2.gz OHDDVLKCKRUDHP-HNNXBMFYSA-N 1 3 328.460 2.237 10 0 EEAEHO C[C@@H]1CN(CCCC[NH2+]Cc2ccnn2-c2ccccn2)C[C@@H](C)O1 ZINC000647184940 470852240 /nfs/dbraw/zinc/85/22/40/470852240.db2.gz JCWOLBFJJKGWDK-IAGOWNOFSA-N 1 3 343.475 2.246 10 0 EEAEHO Cn1ncc(Cl)c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657538093 471164026 /nfs/dbraw/zinc/16/40/26/471164026.db2.gz XYRCKJYADIMABL-UHFFFAOYSA-N 1 3 326.872 2.054 10 0 EEAEHO CCCN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCN(C)C1 ZINC000645198245 471173066 /nfs/dbraw/zinc/17/30/66/471173066.db2.gz PIQDGRFEMARAQN-OALUTQOASA-N 1 3 346.519 2.285 10 0 EEAEHO C[C@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)C1 ZINC000654851977 471203348 /nfs/dbraw/zinc/20/33/48/471203348.db2.gz NSOXJSLDWSOWJY-ROUUACIJSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)C1 ZINC000654851977 471203353 /nfs/dbraw/zinc/20/33/53/471203353.db2.gz NSOXJSLDWSOWJY-ROUUACIJSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000648482673 471217408 /nfs/dbraw/zinc/21/74/08/471217408.db2.gz FSWBEYRFACPEON-LVCYWYKZSA-N 1 3 345.531 2.391 10 0 EEAEHO c1cc2c(cc1CN1CCC(c3nnc4n3CCC4)CC1)C[NH2+]CC2 ZINC000652338702 471274295 /nfs/dbraw/zinc/27/42/95/471274295.db2.gz QMQSBSKCQANVTH-UHFFFAOYSA-N 1 3 337.471 2.250 10 0 EEAEHO CC(NC(=O)C1CC2C[NH2+]CC(C1)C2=O)C1CCC(F)(F)CC1 ZINC000655526650 471366047 /nfs/dbraw/zinc/36/60/47/471366047.db2.gz SPGYCKPTSXPJLW-NDNKKMJESA-N 1 3 328.403 2.131 10 0 EEAEHO C[C@H]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)CS1 ZINC000655709236 471452052 /nfs/dbraw/zinc/45/20/52/471452052.db2.gz ZRXUSENBUIXJAZ-YOEHRIQHSA-N 1 3 335.517 2.352 10 0 EEAEHO C[C@H](CN1CCC(C)CC1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000660759450 471474891 /nfs/dbraw/zinc/47/48/91/471474891.db2.gz BHUJBXITCJBTLB-CSNJMZFVSA-N 1 3 336.524 2.421 10 0 EEAEHO C[C@H](CN1CCC(C)CC1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000660759450 471474898 /nfs/dbraw/zinc/47/48/98/471474898.db2.gz BHUJBXITCJBTLB-CSNJMZFVSA-N 1 3 336.524 2.421 10 0 EEAEHO C[C@@H](CCNC(=O)N[C@H](CN)C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000655923454 471542161 /nfs/dbraw/zinc/54/21/61/471542161.db2.gz YOZNWRVBFRNQQC-GXTWGEPZSA-N 1 3 346.397 2.086 10 0 EEAEHO C[C@@H](CCNC(=O)N[C@H](CN)C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000655923454 471542164 /nfs/dbraw/zinc/54/21/64/471542164.db2.gz YOZNWRVBFRNQQC-GXTWGEPZSA-N 1 3 346.397 2.086 10 0 EEAEHO CC(C)N(C)C[C@H](O)C[N@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000660899796 471543333 /nfs/dbraw/zinc/54/33/33/471543333.db2.gz FLQJEDUFCUDNKL-PMACEKPBSA-N 1 3 334.504 2.351 10 0 EEAEHO CC(C)N(C)C[C@H](O)C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000660899796 471543336 /nfs/dbraw/zinc/54/33/36/471543336.db2.gz FLQJEDUFCUDNKL-PMACEKPBSA-N 1 3 334.504 2.351 10 0 EEAEHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000660959846 471568762 /nfs/dbraw/zinc/56/87/62/471568762.db2.gz RECFKEHODXCZSL-RCCFBDPRSA-N 1 3 330.476 2.215 10 0 EEAEHO CCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000660959846 471568764 /nfs/dbraw/zinc/56/87/64/471568764.db2.gz RECFKEHODXCZSL-RCCFBDPRSA-N 1 3 330.476 2.215 10 0 EEAEHO C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C1=CCN(C)CC1 ZINC000659478203 471648717 /nfs/dbraw/zinc/64/87/17/471648717.db2.gz AJLDMHXEWQCWTE-ATZDWAIDSA-N 1 3 342.487 2.082 10 0 EEAEHO CCCCN(C[C@H](O)C[N@H+](C)CC)[C@H]1CCc2ncsc2C1 ZINC000653777005 471737439 /nfs/dbraw/zinc/73/74/39/471737439.db2.gz SSTLBQMZJDEPOI-LSDHHAIUSA-N 1 3 325.522 2.415 10 0 EEAEHO CCCCN(C[C@H](O)C[N@@H+](C)CC)[C@H]1CCc2ncsc2C1 ZINC000653777005 471737443 /nfs/dbraw/zinc/73/74/43/471737443.db2.gz SSTLBQMZJDEPOI-LSDHHAIUSA-N 1 3 325.522 2.415 10 0 EEAEHO C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@H]3CCN3C(C)(C)C)C2)CC1 ZINC000661403396 471744709 /nfs/dbraw/zinc/74/47/09/471744709.db2.gz LAQYBNINBFYJFI-DLBZAZTESA-N 1 3 336.524 2.233 10 0 EEAEHO CCN(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000664540009 471787888 /nfs/dbraw/zinc/78/78/88/471787888.db2.gz IASLATAAVAYEKW-RCCFBDPRSA-N 1 3 330.476 2.167 10 0 EEAEHO CCN(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)[C@H]1CC[N@@H+](C)C1 ZINC000664540009 471787892 /nfs/dbraw/zinc/78/78/92/471787892.db2.gz IASLATAAVAYEKW-RCCFBDPRSA-N 1 3 330.476 2.167 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)n1ccc(C)n1 ZINC000667811678 471916563 /nfs/dbraw/zinc/91/65/63/471916563.db2.gz SBZXHPCSYTWJGY-ZWKOTPCHSA-N 1 3 349.523 2.017 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)n1ccc(C)n1 ZINC000667811678 471916565 /nfs/dbraw/zinc/91/65/65/471916565.db2.gz SBZXHPCSYTWJGY-ZWKOTPCHSA-N 1 3 349.523 2.017 10 0 EEAEHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000654343526 471920380 /nfs/dbraw/zinc/92/03/80/471920380.db2.gz FTECQOISERCNGH-UHOSZYNNSA-N 1 3 344.503 2.463 10 0 EEAEHO COc1ccc(C)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665160219 471959779 /nfs/dbraw/zinc/95/97/79/471959779.db2.gz XPEJUOIYXFBWRY-HNNXBMFYSA-N 1 3 336.480 2.397 10 0 EEAEHO COc1ccc(C)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665160219 471959780 /nfs/dbraw/zinc/95/97/80/471959780.db2.gz XPEJUOIYXFBWRY-HNNXBMFYSA-N 1 3 336.480 2.397 10 0 EEAEHO O[C@H]1CCN(C2CC[NH+](CCCOCCc3ccccc3)CC2)C1 ZINC000662160408 472015137 /nfs/dbraw/zinc/01/51/37/472015137.db2.gz NUYUKLXGFVOVFB-FQEVSTJZSA-N 1 3 332.488 2.167 10 0 EEAEHO NCc1cn([C@@H]2CCC[N@H+](CCSc3ccc(F)cc3)C2)nn1 ZINC000662283805 472056308 /nfs/dbraw/zinc/05/63/08/472056308.db2.gz VNLHQQKIXOJILK-OAHLLOKOSA-N 1 3 335.452 2.305 10 0 EEAEHO NCc1cn([C@@H]2CCC[N@@H+](CCSc3ccc(F)cc3)C2)nn1 ZINC000662283805 472056312 /nfs/dbraw/zinc/05/63/12/472056312.db2.gz VNLHQQKIXOJILK-OAHLLOKOSA-N 1 3 335.452 2.305 10 0 EEAEHO Cc1cc(N(C)C)ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665559462 472094570 /nfs/dbraw/zinc/09/45/70/472094570.db2.gz FPGNXIGBMRZZHW-INIZCTEOSA-N 1 3 349.523 2.455 10 0 EEAEHO Cc1cc(N(C)C)ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665559462 472094575 /nfs/dbraw/zinc/09/45/75/472094575.db2.gz FPGNXIGBMRZZHW-INIZCTEOSA-N 1 3 349.523 2.455 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)C[C@H](C)[C@H]1C ZINC000665761524 472177690 /nfs/dbraw/zinc/17/76/90/472177690.db2.gz GWFVNNCCNQYKJD-LTIDMASMSA-N 1 3 326.529 2.334 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)C[C@H](C)[C@H]1C ZINC000665761524 472177694 /nfs/dbraw/zinc/17/76/94/472177694.db2.gz GWFVNNCCNQYKJD-LTIDMASMSA-N 1 3 326.529 2.334 10 0 EEAEHO CC(C)[NH+]1CCC(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000662684851 472205387 /nfs/dbraw/zinc/20/53/87/472205387.db2.gz KGQCJRFJNBIVDO-SFHVURJKSA-N 1 3 331.460 2.406 10 0 EEAEHO CC(C)OCC[NH+]1CCC(NC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662488478 485596118 /nfs/dbraw/zinc/59/61/18/485596118.db2.gz PBUGFIDXMLNKQV-LJQANCHMSA-N 1 3 345.487 2.227 10 0 EEAEHO CCN1CCO[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000397961023 576122472 /nfs/dbraw/zinc/12/24/72/576122472.db2.gz FCIARASJPGMKSA-RLLQIKCJSA-N 1 3 331.504 2.207 10 0 EEAEHO CCN1CCO[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000397961023 576122477 /nfs/dbraw/zinc/12/24/77/576122477.db2.gz FCIARASJPGMKSA-RLLQIKCJSA-N 1 3 331.504 2.207 10 0 EEAEHO c1ccc(CCN2CC[C@@H](C[NH2+][C@@H]3CCOC34CCOCC4)C2)cc1 ZINC000924938360 681737176 /nfs/dbraw/zinc/73/71/76/681737176.db2.gz KVLDXDZGGSADMO-VQTJNVASSA-N 1 3 344.499 2.479 10 0 EEAEHO CC[C@H]([NH2+]C[C@@H](C)CN1CCN(CC)CC1)c1cccc(OC)n1 ZINC000924953182 681919181 /nfs/dbraw/zinc/91/91/81/681919181.db2.gz QAVDNNMOUYWKEH-SJORKVTESA-N 1 3 334.508 2.405 10 0 EEAEHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)CC1 ZINC000924691720 693170257 /nfs/dbraw/zinc/17/02/57/693170257.db2.gz HEVLPERPJANTMK-ABSDTBQOSA-N 1 3 331.504 2.337 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CCCOC(C)C)C1 ZINC001266328189 1176307558 /nfs/dbraw/zinc/30/75/58/1176307558.db2.gz VZIIZRSXEIKOBB-ZWKOTPCHSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CCCOC(C)C)C1 ZINC001266328189 1176307568 /nfs/dbraw/zinc/30/75/68/1176307568.db2.gz VZIIZRSXEIKOBB-ZWKOTPCHSA-N 1 3 339.524 2.112 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCNCc2ccc(C)nc2C)C1 ZINC001266813393 1177473148 /nfs/dbraw/zinc/47/31/48/1177473148.db2.gz PYLPMEOQQPBULE-IBGZPJMESA-N 1 3 346.519 2.368 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCNCc2ccc(C)nc2C)C1 ZINC001266813393 1177473153 /nfs/dbraw/zinc/47/31/53/1177473153.db2.gz PYLPMEOQQPBULE-IBGZPJMESA-N 1 3 346.519 2.368 10 0 EEAEHO COCC[N@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001267319850 1178749643 /nfs/dbraw/zinc/74/96/43/1178749643.db2.gz UXTXQNISVIPECS-SFHVURJKSA-N 1 3 345.503 2.062 10 0 EEAEHO COCC[N@@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001267319850 1178749648 /nfs/dbraw/zinc/74/96/48/1178749648.db2.gz UXTXQNISVIPECS-SFHVURJKSA-N 1 3 345.503 2.062 10 0 EEAEHO CC(C)=CCN1CC(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267692766 1180178968 /nfs/dbraw/zinc/17/89/68/1180178968.db2.gz KQLGYHUXHMCTCC-GOSISDBHSA-N 1 3 325.472 2.213 10 0 EEAEHO CC(C)=CCN1CC(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267692766 1180178973 /nfs/dbraw/zinc/17/89/73/1180178973.db2.gz KQLGYHUXHMCTCC-GOSISDBHSA-N 1 3 325.472 2.213 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]Cc2ccccc2C2CC2)C1 ZINC001481279872 1180759015 /nfs/dbraw/zinc/75/90/15/1180759015.db2.gz MKQMCJJHSJGRIJ-MRXNPFEDSA-N 1 3 329.488 2.454 10 0 EEAEHO C[C@H](C[NH2+]CCc1ccc(F)c(F)c1)N(C)C(=O)CN1CCCC1 ZINC001268100817 1181746333 /nfs/dbraw/zinc/74/63/33/1181746333.db2.gz QKFCKEYQGZSUPI-CQSZACIVSA-N 1 3 339.430 2.040 10 0 EEAEHO CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1cc(C)no1)N(C)C ZINC001268160726 1181872831 /nfs/dbraw/zinc/87/28/31/1181872831.db2.gz LHHYRQNQEUJAFJ-RDJZCZTQSA-N 1 3 336.480 2.184 10 0 EEAEHO C[C@@H](CC[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)C1(N(C)C)CCC1 ZINC001268369312 1182355553 /nfs/dbraw/zinc/35/55/53/1182355553.db2.gz VEPCWTUYZTVMOE-UONOGXRCSA-N 1 3 331.451 2.391 10 0 EEAEHO C[C@@H](CCNCc1cc(F)ccc1F)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268414190 1182567717 /nfs/dbraw/zinc/56/77/17/1182567717.db2.gz JTOPPWZXMKNXRQ-UONOGXRCSA-N 1 3 339.430 2.291 10 0 EEAEHO C[C@@H](CCNCc1cc(F)ccc1F)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268414190 1182567722 /nfs/dbraw/zinc/56/77/22/1182567722.db2.gz JTOPPWZXMKNXRQ-UONOGXRCSA-N 1 3 339.430 2.291 10 0 EEAEHO CCN(CCNCc1cncs1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268482881 1182945748 /nfs/dbraw/zinc/94/57/48/1182945748.db2.gz ZRFSRHSFTQGPHU-HNNXBMFYSA-N 1 3 338.521 2.346 10 0 EEAEHO CCN(CCNCc1cccnc1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268485503 1182959752 /nfs/dbraw/zinc/95/97/52/1182959752.db2.gz FGDUJTVFHYEQPX-ROUUACIJSA-N 1 3 330.476 2.037 10 0 EEAEHO CCN(CCNCc1cccnc1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001268485503 1182959758 /nfs/dbraw/zinc/95/97/58/1182959758.db2.gz FGDUJTVFHYEQPX-ROUUACIJSA-N 1 3 330.476 2.037 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001268520359 1183168387 /nfs/dbraw/zinc/16/83/87/1183168387.db2.gz CCXUJLPNAZIHPX-XETPZHMNSA-N 1 3 341.499 2.148 10 0 EEAEHO O=C(NC/C=C\CNCc1ccc(F)cc1)C12CCC[NH+](CCC1)C2 ZINC001268555475 1183245949 /nfs/dbraw/zinc/24/59/49/1183245949.db2.gz JSLBZAXNCUZXBD-UPHRSURJSA-N 1 3 345.462 2.464 10 0 EEAEHO CC(C)[C@H](C(=O)NC/C=C/C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC001268587288 1183384609 /nfs/dbraw/zinc/38/46/09/1183384609.db2.gz IEIRKIBVTIZSOK-ICWYTKJFSA-N 1 3 331.451 2.270 10 0 EEAEHO CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001268799676 1183715816 /nfs/dbraw/zinc/71/58/16/1183715816.db2.gz CMOZMZHCAXEXTM-CQSZACIVSA-N 1 3 326.872 2.013 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cncc(C)c2)C1)N(C)C ZINC001269793378 1184625526 /nfs/dbraw/zinc/62/55/26/1184625526.db2.gz YWWLRIJPJMAYMU-HKUYNNGSSA-N 1 3 346.519 2.449 10 0 EEAEHO Cc1cccnc1C[NH2+]CC[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001269798814 1184627924 /nfs/dbraw/zinc/62/79/24/1184627924.db2.gz OPSNMWPMKDHZOA-GOSISDBHSA-N 1 3 346.519 2.449 10 0 EEAEHO Cc1ccccc1CCC[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001482364257 1185518497 /nfs/dbraw/zinc/51/84/97/1185518497.db2.gz GBIGIDUJYSIHIP-GOSISDBHSA-N 1 3 331.504 2.460 10 0 EEAEHO C[C@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)CN(C)C1CCC1 ZINC001482838494 1187757553 /nfs/dbraw/zinc/75/75/53/1187757553.db2.gz CGMGUWGJEIWKLQ-CYBMUJFWSA-N 1 3 338.883 2.204 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001482870229 1187789742 /nfs/dbraw/zinc/78/97/42/1187789742.db2.gz AQDVACBLTRYQLT-KBPBESRZSA-N 1 3 339.430 2.291 10 0 EEAEHO C[C@H](NCc1ccnn1C)[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001409348148 1189559221 /nfs/dbraw/zinc/55/92/21/1189559221.db2.gz GJEXQIFBHAZARC-GJZGRUSLSA-N 1 3 349.523 2.056 10 0 EEAEHO C[C@H](NCc1ccnn1C)[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001409348148 1189559223 /nfs/dbraw/zinc/55/92/23/1189559223.db2.gz GJEXQIFBHAZARC-GJZGRUSLSA-N 1 3 349.523 2.056 10 0 EEAEHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@H+](C)CC1CCOCC1 ZINC001409651502 1190150893 /nfs/dbraw/zinc/15/08/93/1190150893.db2.gz WZUVOZBZNKGYIQ-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@@H+](C)CC1CCOCC1 ZINC001409651502 1190150895 /nfs/dbraw/zinc/15/08/95/1190150895.db2.gz WZUVOZBZNKGYIQ-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ccc(F)cc1CN(C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483406779 1190452315 /nfs/dbraw/zinc/45/23/15/1190452315.db2.gz GMEOYWWNRGYBNS-HNNXBMFYSA-N 1 3 333.451 2.166 10 0 EEAEHO CN(CCC[NH2+][C@@H]1CCc2c1cccc2F)C(=O)[C@H]1CCCN1C ZINC001483484114 1190503354 /nfs/dbraw/zinc/50/33/54/1190503354.db2.gz IWWXLWWHOSHIGG-QZTJIDSGSA-N 1 3 333.451 2.345 10 0 EEAEHO CCc1nocc1CNC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001483562239 1190551450 /nfs/dbraw/zinc/55/14/50/1190551450.db2.gz ZPNJQYAPKAYHKG-MSOLQXFVSA-N 1 3 348.491 2.094 10 0 EEAEHO CCc1nocc1CNC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001483562239 1190551454 /nfs/dbraw/zinc/55/14/54/1190551454.db2.gz ZPNJQYAPKAYHKG-MSOLQXFVSA-N 1 3 348.491 2.094 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(CC[NH2+]CC2CC2)Cc2ccccc2)C1 ZINC001484400632 1191334866 /nfs/dbraw/zinc/33/48/66/1191334866.db2.gz YBOMAMGKYJYWRD-QGZVFWFLSA-N 1 3 329.488 2.357 10 0 EEAEHO CC1CCN(CC(=O)N2CC[C@H](CC[NH2+]C/C=C\Cl)C2)CC1 ZINC001484543624 1191403269 /nfs/dbraw/zinc/40/32/69/1191403269.db2.gz OCQQEXPVUBNHQW-AKDFZNLCSA-N 1 3 327.900 2.299 10 0 EEAEHO CC1CCN(CC(=O)N2CC[C@@H](CC[NH2+]C/C=C/Cl)C2)CC1 ZINC001484543630 1191403275 /nfs/dbraw/zinc/40/32/75/1191403275.db2.gz OCQQEXPVUBNHQW-MPUHIQPUSA-N 1 3 327.900 2.299 10 0 EEAEHO CC(C)(C(=O)NCC1([NH2+]CCC(F)(F)F)CCC1)N1CCCC1 ZINC001484645082 1191452027 /nfs/dbraw/zinc/45/20/27/1191452027.db2.gz CLAJLKXMQGRPGK-UHFFFAOYSA-N 1 3 335.414 2.442 10 0 EEAEHO CC(C)N1CCc2ccccc2[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485006421 1191612753 /nfs/dbraw/zinc/61/27/53/1191612753.db2.gz SEVSQYHMGZEVAG-QFBILLFUSA-N 1 3 329.488 2.452 10 0 EEAEHO CC(C)N1CCc2ccccc2[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001485006421 1191612755 /nfs/dbraw/zinc/61/27/55/1191612755.db2.gz SEVSQYHMGZEVAG-QFBILLFUSA-N 1 3 329.488 2.452 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(Cl)nc1 ZINC001485206253 1191693280 /nfs/dbraw/zinc/69/32/80/1191693280.db2.gz IIPSJCHKAVOTIG-STQMWFEESA-N 1 3 326.872 2.060 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(Cl)nc1 ZINC001485206253 1191693282 /nfs/dbraw/zinc/69/32/82/1191693282.db2.gz IIPSJCHKAVOTIG-STQMWFEESA-N 1 3 326.872 2.060 10 0 EEAEHO Cc1cccnc1CN[C@@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001485228918 1191698303 /nfs/dbraw/zinc/69/83/03/1191698303.db2.gz FZQOQGSUCRKRJO-DLBZAZTESA-N 1 3 332.492 2.249 10 0 EEAEHO CN(CC(C)(C)C[NH2+]CCc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001485260736 1191708868 /nfs/dbraw/zinc/70/88/68/1191708868.db2.gz VTZHPWDXWWREBA-UHFFFAOYSA-N 1 3 328.460 2.269 10 0 EEAEHO COc1cccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001486221551 1193759225 /nfs/dbraw/zinc/75/92/25/1193759225.db2.gz TUHBBKHLZVVLMG-ZWKOTPCHSA-N 1 3 347.503 2.410 10 0 EEAEHO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)CN(C)C(C)C)CCO2)cc1 ZINC001410162772 1197576440 /nfs/dbraw/zinc/57/64/40/1197576440.db2.gz WWPDMNIBHACDFR-HKUYNNGSSA-N 1 3 347.503 2.041 10 0 EEAEHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000872297528 1198135206 /nfs/dbraw/zinc/13/52/06/1198135206.db2.gz OUILEZXMCHDZMA-HNAWSFBYSA-N 1 3 343.471 2.076 10 0 EEAEHO CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001410904062 1198561672 /nfs/dbraw/zinc/56/16/72/1198561672.db2.gz KZEMIGLQLACJDH-MJGOQNOKSA-N 1 3 330.476 2.037 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1N(Cc1ccccn1)CC2 ZINC001410904062 1198561673 /nfs/dbraw/zinc/56/16/73/1198561673.db2.gz KZEMIGLQLACJDH-MJGOQNOKSA-N 1 3 330.476 2.037 10 0 EEAEHO C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H](NC/C(Cl)=C\Cl)[C@@H]2C1 ZINC001410924234 1198587901 /nfs/dbraw/zinc/58/79/01/1198587901.db2.gz MMSAAAQBLIVBPY-VEEPAONSSA-N 1 3 348.318 2.474 10 0 EEAEHO Cc1ccncc1CN1CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001411240727 1198958631 /nfs/dbraw/zinc/95/86/31/1198958631.db2.gz ZPFOAYKWMVQOMI-KRWDZBQOSA-N 1 3 346.519 2.449 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc(Cl)n1 ZINC000828428339 1199185803 /nfs/dbraw/zinc/18/58/03/1199185803.db2.gz WKIMBOGBLUUCME-HUUCEWRRSA-N 1 3 336.867 2.130 10 0 EEAEHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810194519 1199347037 /nfs/dbraw/zinc/34/70/37/1199347037.db2.gz DJVYGKGQSKYDLR-IIDMSEBBSA-N 1 3 327.488 2.436 10 0 EEAEHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810194519 1199347042 /nfs/dbraw/zinc/34/70/42/1199347042.db2.gz DJVYGKGQSKYDLR-IIDMSEBBSA-N 1 3 327.488 2.436 10 0 EEAEHO COCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001671091867 1202362420 /nfs/dbraw/zinc/36/24/20/1202362420.db2.gz XLMUCTZPZPYMKS-IBGZPJMESA-N 1 3 339.524 2.068 10 0 EEAEHO COCCCCC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001671091867 1202362422 /nfs/dbraw/zinc/36/24/22/1202362422.db2.gz XLMUCTZPZPYMKS-IBGZPJMESA-N 1 3 339.524 2.068 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001274296678 1204988461 /nfs/dbraw/zinc/98/84/61/1204988461.db2.gz FMTFXCCYUKDKET-DZGCQCFKSA-N 1 3 338.883 2.012 10 0 EEAEHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CCc2cccs2)C1)N(C)C ZINC001275243433 1205289606 /nfs/dbraw/zinc/28/96/06/1205289606.db2.gz SOSXMDQKCCJQQQ-DQPZFDDXSA-N 1 3 337.533 2.361 10 0 EEAEHO Cc1nsc(C)c1C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001276058156 1205755974 /nfs/dbraw/zinc/75/59/74/1205755974.db2.gz SEVOMCODICHCIN-INIZCTEOSA-N 1 3 340.537 2.284 10 0 EEAEHO Cc1nsc(C)c1C[NH2+]CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001276075671 1205762560 /nfs/dbraw/zinc/76/25/60/1205762560.db2.gz BHNZXCUCRLUIOT-MRXNPFEDSA-N 1 3 338.521 2.182 10 0 EEAEHO C[NH+]1CCC(N2CC[C@@H](N[C@H]3CCc4c3nccc4Cl)C2)CC1 ZINC000925041387 1206064600 /nfs/dbraw/zinc/06/46/00/1206064600.db2.gz NZDHDJDETDURTK-DYVFJYSZSA-N 1 3 334.895 2.480 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CC[N@@H+]1C ZINC000925324561 1206097138 /nfs/dbraw/zinc/09/71/38/1206097138.db2.gz NHTGNNPNULQXRU-ZHALLVOQSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CC[N@H+]1C ZINC000925324561 1206097139 /nfs/dbraw/zinc/09/71/39/1206097139.db2.gz NHTGNNPNULQXRU-ZHALLVOQSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CO[C@H]1C ZINC000925439102 1206111810 /nfs/dbraw/zinc/11/18/10/1206111810.db2.gz QWARQLZOWNESOO-BXWFABGCSA-N 1 3 345.487 2.025 10 0 EEAEHO CC1(C)C[C@@H](N[C@H](Cc2ccccc2)CN2CCOCC2)C[C@@H]([NH3+])C1 ZINC000925479019 1206117686 /nfs/dbraw/zinc/11/76/86/1206117686.db2.gz PRTLFHIPGFROGU-HSALFYBXSA-N 1 3 345.531 2.426 10 0 EEAEHO O=C1O[C@H](CN[C@H]2CCSc3ccccc32)CC12CC[NH2+]CC2 ZINC000925850455 1206160406 /nfs/dbraw/zinc/16/04/06/1206160406.db2.gz ASCAHJLFSFXTRA-ZFWWWQNUSA-N 1 3 332.469 2.498 10 0 EEAEHO COc1cc(C)ccc1[C@H](C)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851535 1206161020 /nfs/dbraw/zinc/16/10/20/1206161020.db2.gz FZFXXKAWEYXZCM-GJZGRUSLSA-N 1 3 332.444 2.340 10 0 EEAEHO CCOc1ccccc1[C@H](C)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925858952 1206162230 /nfs/dbraw/zinc/16/22/30/1206162230.db2.gz XBEMKEGQEXAHIB-GJZGRUSLSA-N 1 3 332.444 2.421 10 0 EEAEHO CN1CCN(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)CC1(C)C ZINC000926358489 1206215498 /nfs/dbraw/zinc/21/54/98/1206215498.db2.gz ZRLDGXVBOCUCOQ-HKUYNNGSSA-N 1 3 330.520 2.408 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CN(C)CCOc2cccc(C)c2)cnn1C ZINC000903875823 1242275459 /nfs/dbraw/zinc/27/54/59/1242275459.db2.gz COJSRYDIVIFRRW-KRWDZBQOSA-N 1 3 330.476 2.165 10 0 EEAEHO CCCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000903897423 1242382600 /nfs/dbraw/zinc/38/26/00/1242382600.db2.gz YYFCGBFIRSDDQZ-DDBAPUKQSA-N 1 3 347.507 2.228 10 0 EEAEHO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](CN)Cc2cnn(C)c2C)C12CCC2 ZINC000903899526 1242396653 /nfs/dbraw/zinc/39/66/53/1242396653.db2.gz SXUYYRNLIVJJHW-BPQIPLTHSA-N 1 3 334.508 2.125 10 0 EEAEHO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H](CN)Cc2cnn(C)c2C)C12CCC2 ZINC000903899526 1242396670 /nfs/dbraw/zinc/39/66/70/1242396670.db2.gz SXUYYRNLIVJJHW-BPQIPLTHSA-N 1 3 334.508 2.125 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc(Cl)n1 ZINC000827366078 1247957024 /nfs/dbraw/zinc/95/70/24/1247957024.db2.gz YXHTZFDWEBMXQQ-IUODEOHRSA-N 1 3 338.883 2.281 10 0 EEAEHO CCc1onc(C)c1CN[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001490957799 1258508702 /nfs/dbraw/zinc/50/87/02/1258508702.db2.gz DGRPHIRKSAFDRJ-WKILWMFISA-N 1 3 348.491 2.158 10 0 EEAEHO Cc1nc(F)ccc1CNCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000850357516 1277196978 /nfs/dbraw/zinc/19/69/78/1277196978.db2.gz MDTQUOCPGKHBLS-GOSISDBHSA-N 1 3 329.419 2.386 10 0 EEAEHO Cc1nc(F)ccc1CNCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850357516 1277196980 /nfs/dbraw/zinc/19/69/80/1277196980.db2.gz MDTQUOCPGKHBLS-GOSISDBHSA-N 1 3 329.419 2.386 10 0 EEAEHO CCN(CC[NH2+]Cc1cc(F)cc(F)c1)C(=O)[C@@H]1CCCCN1C ZINC001273554001 1279769942 /nfs/dbraw/zinc/76/99/42/1279769942.db2.gz DWFXCNWXAPKCQZ-KRWDZBQOSA-N 1 3 339.430 2.387 10 0 EEAEHO CCCCOCCN1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001490416134 1291326971 /nfs/dbraw/zinc/32/69/71/1291326971.db2.gz KPJJBHLTVPIPJX-UHFFFAOYSA-N 1 3 339.524 2.068 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000859622796 1294555809 /nfs/dbraw/zinc/55/58/09/1294555809.db2.gz OPSGOMBTHVPVPD-ZWKOTPCHSA-N 1 3 345.491 2.091 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000860311003 1294923429 /nfs/dbraw/zinc/92/34/29/1294923429.db2.gz XYHVEMZMBIIKOJ-SFHVURJKSA-N 1 3 345.491 2.044 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CCC[N@H+]3C)cc2)CC1 ZINC000860311003 1294923436 /nfs/dbraw/zinc/92/34/36/1294923436.db2.gz XYHVEMZMBIIKOJ-SFHVURJKSA-N 1 3 345.491 2.044 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cnc(C)cn1 ZINC001277362940 1302658287 /nfs/dbraw/zinc/65/82/87/1302658287.db2.gz OPWSXIJEJBBHDE-QAPCUYQASA-N 1 3 347.507 2.034 10 0 EEAEHO CCc1ccccc1CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001277822875 1304668808 /nfs/dbraw/zinc/66/88/08/1304668808.db2.gz GVTPXXHKJZVSHO-PMACEKPBSA-N 1 3 343.515 2.466 10 0 EEAEHO Cc1ncoc1CNC[C@@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001278571370 1317258682 /nfs/dbraw/zinc/25/86/82/1317258682.db2.gz FSGRVXDWNVNKEM-GOSISDBHSA-N 1 3 336.480 2.043 10 0 EEAEHO COCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001263920954 1322554596 /nfs/dbraw/zinc/55/45/96/1322554596.db2.gz BACTXRIWPBHQBC-RCCFBDPRSA-N 1 3 339.524 2.160 10 0 EEAEHO Cc1ccc(CCC[NH2+][C@H](C)CN(C)C(=O)Cc2c[nH]cn2)cc1 ZINC001283680192 1326198965 /nfs/dbraw/zinc/19/89/65/1326198965.db2.gz NSMQLGLBYBLVIP-MRXNPFEDSA-N 1 3 328.460 2.330 10 0 EEAEHO C[C@H]1C[C@H]([NH2+]CCCOc2ccccc2)CN1C(=O)Cc1c[nH]cn1 ZINC001284015058 1326363428 /nfs/dbraw/zinc/36/34/28/1326363428.db2.gz RIZLXUNUWBTUGQ-RDJZCZTQSA-N 1 3 342.443 2.000 10 0 EEAEHO CN(CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)CCc1ccccc1 ZINC001492450339 1331262916 /nfs/dbraw/zinc/26/29/16/1331262916.db2.gz NKQYYHKOOQLHNC-OALUTQOASA-N 1 3 329.488 2.294 10 0 EEAEHO CN(CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)CCc1ccccc1 ZINC001492450339 1331262917 /nfs/dbraw/zinc/26/29/17/1331262917.db2.gz NKQYYHKOOQLHNC-OALUTQOASA-N 1 3 329.488 2.294 10 0 EEAEHO CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001316769111 1331828090 /nfs/dbraw/zinc/82/80/90/1331828090.db2.gz FNFKCFGINNITQK-ZWKOTPCHSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCCc3cccc(F)c3)C2)C1 ZINC001317086242 1332073922 /nfs/dbraw/zinc/07/39/22/1332073922.db2.gz FMYPKVXQNJURJY-SNRMKQJTSA-N 1 3 347.478 2.337 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001318936763 1332626250 /nfs/dbraw/zinc/62/62/50/1332626250.db2.gz BVTSBRDYMSUKLZ-SFHVURJKSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001320446521 1332885710 /nfs/dbraw/zinc/88/57/10/1332885710.db2.gz MZAKDIYQINIPAX-ZDUSSCGKSA-N 1 3 339.430 2.434 10 0 EEAEHO CCN(CCNCc1cncc(C)c1)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001320777339 1332950878 /nfs/dbraw/zinc/95/08/78/1332950878.db2.gz LQMJRGVNUOJZQE-LJQANCHMSA-N 1 3 346.519 2.449 10 0 EEAEHO CCN(CCNCc1cncc(C)c1)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001320777339 1332950879 /nfs/dbraw/zinc/95/08/79/1332950879.db2.gz LQMJRGVNUOJZQE-LJQANCHMSA-N 1 3 346.519 2.449 10 0 EEAEHO Cc1ccc(F)cc1CNC/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001321063617 1333009049 /nfs/dbraw/zinc/00/90/49/1333009049.db2.gz IOMZBTFSGJAAKC-PHXNAMCJSA-N 1 3 345.462 2.238 10 0 EEAEHO Cc1cccc(CCC[NH2+]C[C@H](C)NC(=O)CN2CC[C@H](C)C2)c1 ZINC001321991422 1333192090 /nfs/dbraw/zinc/19/20/90/1333192090.db2.gz NPAWEPKHXHZRKP-ROUUACIJSA-N 1 3 331.504 2.364 10 0 EEAEHO CCOCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001324555878 1333707830 /nfs/dbraw/zinc/70/78/30/1333707830.db2.gz CBRCOXWTIVSGRP-MJGOQNOKSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001324555878 1333707834 /nfs/dbraw/zinc/70/78/34/1333707834.db2.gz CBRCOXWTIVSGRP-MJGOQNOKSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1ncc(C[NH2+]CC[C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)o1 ZINC001326396304 1334083103 /nfs/dbraw/zinc/08/31/03/1334083103.db2.gz CLBMCFIXACRWCL-KRWDZBQOSA-N 1 3 348.491 2.043 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCCC[C@H]2C[NH2+]CCF)C1 ZINC001328644386 1334493384 /nfs/dbraw/zinc/49/33/84/1334493384.db2.gz XVUCIYAXCMSUKG-YOEHRIQHSA-N 1 3 331.451 2.139 10 0 EEAEHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCNCc1cn(C(C)C)nc1C ZINC001567611782 1342793880 /nfs/dbraw/zinc/79/38/80/1342793880.db2.gz UVBMNAIAPIYOOW-GOSISDBHSA-N 1 3 349.523 2.195 10 0 EEAEHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCNCc1cn(C(C)C)nc1C ZINC001567611782 1342793882 /nfs/dbraw/zinc/79/38/82/1342793882.db2.gz UVBMNAIAPIYOOW-GOSISDBHSA-N 1 3 349.523 2.195 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCc1ccc(OC)cc1)N(C)C ZINC001569562721 1342897446 /nfs/dbraw/zinc/89/74/46/1342897446.db2.gz WZLSQEYBWOMWNJ-PKOBYXMFSA-N 1 3 347.503 2.159 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCc1ccc(OC)cc1)N(C)C ZINC001569562720 1342897606 /nfs/dbraw/zinc/89/76/06/1342897606.db2.gz WZLSQEYBWOMWNJ-HKUYNNGSSA-N 1 3 347.503 2.159 10 0 EEAEHO Cc1cc(CN[C@H](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)on1 ZINC001569824860 1342953362 /nfs/dbraw/zinc/95/33/62/1342953362.db2.gz BNIXYFLXHXJJIM-CVEARBPZSA-N 1 3 336.480 2.042 10 0 EEAEHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001676423303 1357148518 /nfs/dbraw/zinc/14/85/18/1357148518.db2.gz CZNWKHSFNBNVOZ-ZIAGYGMSSA-N 1 3 338.883 2.013 10 0 EEAEHO C[C@H]1C[C@@H]([NH2+]CCCc2ccsc2)CN1C(=O)Cc1c[nH]cn1 ZINC001676762754 1357195666 /nfs/dbraw/zinc/19/56/66/1357195666.db2.gz NOCVMIYEKYTDSC-XJKSGUPXSA-N 1 3 332.473 2.226 10 0 EEAEHO COCCCN1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001656080900 1354197309 /nfs/dbraw/zinc/19/73/09/1354197309.db2.gz PSZVRXWXPZQRAA-QGZVFWFLSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1ccncc1CN(C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001660329053 1354441217 /nfs/dbraw/zinc/44/12/17/1354441217.db2.gz DCMMZJNHMALSLS-OALUTQOASA-N 1 3 344.503 2.345 10 0 EEAEHO Cc1ccncc1CN(C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001660329053 1354441219 /nfs/dbraw/zinc/44/12/19/1354441219.db2.gz DCMMZJNHMALSLS-OALUTQOASA-N 1 3 344.503 2.345 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccnc(Cl)c1 ZINC001663968409 1355064640 /nfs/dbraw/zinc/06/46/40/1355064640.db2.gz QZKMYUGPYWDRFV-OAHLLOKOSA-N 1 3 338.883 2.157 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccnc(Cl)c1 ZINC001663968409 1355064644 /nfs/dbraw/zinc/06/46/44/1355064644.db2.gz QZKMYUGPYWDRFV-OAHLLOKOSA-N 1 3 338.883 2.157 10 0 EEAEHO Cc1cncc(CNCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC001663981789 1355068017 /nfs/dbraw/zinc/06/80/17/1355068017.db2.gz VCOIOZRAZFCGMZ-IBGZPJMESA-N 1 3 344.503 2.345 10 0 EEAEHO Cc1cncc(CNCCN(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC001663981789 1355068020 /nfs/dbraw/zinc/06/80/20/1355068020.db2.gz VCOIOZRAZFCGMZ-IBGZPJMESA-N 1 3 344.503 2.345 10 0 EEAEHO CCCCOCC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001667176855 1355665716 /nfs/dbraw/zinc/66/57/16/1355665716.db2.gz RHNHDNQEELPOSC-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1nc(C(C)C)oc1CNCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001668278256 1355914304 /nfs/dbraw/zinc/91/43/04/1355914304.db2.gz DUGRMFMMWJDIFM-CQSZACIVSA-N 1 3 348.491 2.187 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]Cc1cccc2c1CCOC2 ZINC001668320307 1355922769 /nfs/dbraw/zinc/92/27/69/1355922769.db2.gz OUTIRFQPALPUDX-MRXNPFEDSA-N 1 3 347.503 2.084 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1cccc(F)c1 ZINC001668853224 1356023423 /nfs/dbraw/zinc/02/34/23/1356023423.db2.gz FDZOMGLKHMYQLI-OAJJDEHYSA-N 1 3 333.451 2.462 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1cccc(F)c1 ZINC001668853224 1356023428 /nfs/dbraw/zinc/02/34/28/1356023428.db2.gz FDZOMGLKHMYQLI-OAJJDEHYSA-N 1 3 333.451 2.462 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1ccc(F)cc1 ZINC001668854671 1356023670 /nfs/dbraw/zinc/02/36/70/1356023670.db2.gz UYSUVNHHVBCKFD-DDKKJVIOSA-N 1 3 333.451 2.462 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1ccc(F)cc1 ZINC001668854671 1356023674 /nfs/dbraw/zinc/02/36/74/1356023674.db2.gz UYSUVNHHVBCKFD-DDKKJVIOSA-N 1 3 333.451 2.462 10 0 EEAEHO COCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001672246254 1356487722 /nfs/dbraw/zinc/48/77/22/1356487722.db2.gz GWEFHCHWPYXZSS-QFBILLFUSA-N 1 3 347.503 2.225 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001672328137 1356501168 /nfs/dbraw/zinc/50/11/68/1356501168.db2.gz MXVOHKMOAHUIPI-OLZOCXBDSA-N 1 3 336.307 2.331 10 0 EEAEHO C[C@@H](CCNCc1ccncc1Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699102075 1405255501 /nfs/dbraw/zinc/25/55/01/1405255501.db2.gz GPARYYFMMSYTKN-GZBFAFLISA-N 1 3 338.883 2.060 10 0 EEAEHO C[C@@H](CCNCc1ccncc1Cl)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699102075 1405255510 /nfs/dbraw/zinc/25/55/10/1405255510.db2.gz GPARYYFMMSYTKN-GZBFAFLISA-N 1 3 338.883 2.060 10 0 EEAEHO CCCCCCN(C)CC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000846698034 790434698 /nfs/dbraw/zinc/43/46/98/790434698.db2.gz AOIMVIFRMBYZPN-KZNAEPCWSA-N 1 3 339.524 2.386 10 0 EEAEHO CC[NH+](CC)CCOCCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000907351590 784556962 /nfs/dbraw/zinc/55/69/62/784556962.db2.gz FCIVWAAOYNTWLK-UHFFFAOYSA-N 1 3 346.475 2.379 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc(Cl)n1 ZINC000817860908 785026597 /nfs/dbraw/zinc/02/65/97/785026597.db2.gz YZIVCAZRMCHLIF-MMMKDXCPSA-N 1 3 338.883 2.265 10 0 EEAEHO Cc1cc(F)ccc1[C@@H](O)C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000819085175 785395087 /nfs/dbraw/zinc/39/50/87/785395087.db2.gz SVSXXQYGQUIQBW-KXBFYZLASA-N 1 3 336.451 2.258 10 0 EEAEHO Cc1ccccc1[C@H](O)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000819174751 785447328 /nfs/dbraw/zinc/44/73/28/785447328.db2.gz RCPQOXGLHNSJMG-VAMGGRTRSA-N 1 3 332.488 2.386 10 0 EEAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@H](O)c2cnn(C)c2)CC1 ZINC000823956689 787987186 /nfs/dbraw/zinc/98/71/86/787987186.db2.gz WNSHWDYTZQIRPE-UZLBHIALSA-N 1 3 342.487 2.139 10 0 EEAEHO C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)CCN1Cc1ccccc1 ZINC000711277969 788585097 /nfs/dbraw/zinc/58/50/97/788585097.db2.gz CZTJYKXEBXBQRY-SJLPKXTDSA-N 1 3 329.488 2.355 10 0 EEAEHO CN(Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303760 789343085 /nfs/dbraw/zinc/34/30/85/789343085.db2.gz KKPALAQSFUKLLJ-AWEZNQCLSA-N 1 3 330.350 2.396 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCN1C ZINC000923511882 789699298 /nfs/dbraw/zinc/69/92/98/789699298.db2.gz YIMMSZLSHPGIMT-ZAWLATJESA-N 1 3 344.503 2.146 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCN1C ZINC000923511882 789699302 /nfs/dbraw/zinc/69/93/02/789699302.db2.gz YIMMSZLSHPGIMT-ZAWLATJESA-N 1 3 344.503 2.146 10 0 EEAEHO CO[C@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCOC1 ZINC000716690381 796443337 /nfs/dbraw/zinc/44/33/37/796443337.db2.gz FVXRYNJMLQPLDH-YRPNKDGESA-N 1 3 330.472 2.435 10 0 EEAEHO Cc1nsc(C)c1C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001436405239 1087754065 /nfs/dbraw/zinc/75/40/65/1087754065.db2.gz SZVOPVXSZMXKHY-SHTZXODSSA-N 1 3 338.521 2.085 10 0 EEAEHO CC[C@H](C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C)OC ZINC001436496838 1088012324 /nfs/dbraw/zinc/01/23/24/1088012324.db2.gz YAALNJZOGLSYAP-BBWFWOEESA-N 1 3 327.513 2.065 10 0 EEAEHO CC[C@H](C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C)OC ZINC001436496838 1088012337 /nfs/dbraw/zinc/01/23/37/1088012337.db2.gz YAALNJZOGLSYAP-BBWFWOEESA-N 1 3 327.513 2.065 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001437723844 1090277282 /nfs/dbraw/zinc/27/72/82/1090277282.db2.gz FBGGWDPLNFIKNG-QAPCUYQASA-N 1 3 325.472 2.047 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001437723844 1090277288 /nfs/dbraw/zinc/27/72/88/1090277288.db2.gz FBGGWDPLNFIKNG-QAPCUYQASA-N 1 3 325.472 2.047 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]Cc1cccnc1)C1CC1 ZINC001438415037 1090907684 /nfs/dbraw/zinc/90/76/84/1090907684.db2.gz NRTLJXALKXNGLW-AZUAARDMSA-N 1 3 344.503 2.329 10 0 EEAEHO Cc1cccnc1CNC[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001438430606 1090929351 /nfs/dbraw/zinc/92/93/51/1090929351.db2.gz BTFWTEUCQNGBOR-PXNSSMCTSA-N 1 3 346.519 2.496 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cncc(C)c1 ZINC001438714304 1091234380 /nfs/dbraw/zinc/23/43/80/1091234380.db2.gz MXOVOSIDPVVJAI-WMZOPIPTSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1cc(C[NH2+][C@H](CNC(=O)CN(C)C(C)C)C(C)C)sn1 ZINC001438851148 1091488988 /nfs/dbraw/zinc/48/89/88/1091488988.db2.gz QDCHPIKJQCITBR-OAHLLOKOSA-N 1 3 326.510 2.022 10 0 EEAEHO COc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)CN2CCCC2)c1 ZINC001438935314 1091618326 /nfs/dbraw/zinc/61/83/26/1091618326.db2.gz BSNGNKLMQBMQOV-INIZCTEOSA-N 1 3 333.476 2.242 10 0 EEAEHO COc1cccc([C@H](C)[N@@H+](C)CCN(C)C(=O)CN2CCCC2)c1 ZINC001438935314 1091618329 /nfs/dbraw/zinc/61/83/29/1091618329.db2.gz BSNGNKLMQBMQOV-INIZCTEOSA-N 1 3 333.476 2.242 10 0 EEAEHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]Cc1ocnc1C ZINC001446023840 1092015102 /nfs/dbraw/zinc/01/51/02/1092015102.db2.gz ZQTZNXBQHDNJKK-JKSUJKDBSA-N 1 3 336.480 2.040 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC2(C1)CC[NH+](CC[C@@H](C)F)CC2 ZINC001446331758 1092536630 /nfs/dbraw/zinc/53/66/30/1092536630.db2.gz QELCXCQPJDZJFJ-MRXNPFEDSA-N 1 3 327.488 2.389 10 0 EEAEHO Cc1nc(CNC2(C)CCN(C(=O)CCC[NH+](C)C)CC2)cs1 ZINC001440610281 1093875469 /nfs/dbraw/zinc/87/54/69/1093875469.db2.gz ODNQFZAEUSAMGN-UHFFFAOYSA-N 1 3 338.521 2.264 10 0 EEAEHO CO[C@H](C)C[NH+]1CCC([C@@H](C)NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001449353426 1094314452 /nfs/dbraw/zinc/31/44/52/1094314452.db2.gz SEFVHHJOIBDWGA-HZPDHXFCSA-N 1 3 341.540 2.216 10 0 EEAEHO CC[C@@H](F)CN1CCC(C2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001449409179 1094391507 /nfs/dbraw/zinc/39/15/07/1094391507.db2.gz IWSDMEQOPSCPMS-DOTOQJQBSA-N 1 3 339.499 2.437 10 0 EEAEHO CC[C@@H](F)CN1CCC(C2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001449409179 1094391514 /nfs/dbraw/zinc/39/15/14/1094391514.db2.gz IWSDMEQOPSCPMS-DOTOQJQBSA-N 1 3 339.499 2.437 10 0 EEAEHO CCC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN(Cc3ccccc3F)C[C@H]21 ZINC001441321431 1094776983 /nfs/dbraw/zinc/77/69/83/1094776983.db2.gz SUPQILXEQOZQKU-NNZMDNLPSA-N 1 3 347.478 2.352 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN(Cc3ccccc3F)C[C@H]21 ZINC001441321431 1094776994 /nfs/dbraw/zinc/77/69/94/1094776994.db2.gz SUPQILXEQOZQKU-NNZMDNLPSA-N 1 3 347.478 2.352 10 0 EEAEHO C[NH+](C)CCCC(=O)N1CCC[C@H]2CN(Cc3cccnc3)CC[C@@H]21 ZINC001441480640 1095151517 /nfs/dbraw/zinc/15/15/17/1095151517.db2.gz PXMZJLBNTVHLPT-OALUTQOASA-N 1 3 344.503 2.236 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](N[C@H]2CCc3c2c(F)ccc3F)C1 ZINC001441507470 1095195950 /nfs/dbraw/zinc/19/59/50/1095195950.db2.gz SIPSBDLAKTVRHQ-OZVIIMIRSA-N 1 3 337.414 2.141 10 0 EEAEHO CCc1noc(C)c1CN[C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001441540959 1095258665 /nfs/dbraw/zinc/25/86/65/1095258665.db2.gz PUGYKLBKWHYFPU-IYBDPMFKSA-N 1 3 348.491 2.158 10 0 EEAEHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001441594868 1095432733 /nfs/dbraw/zinc/43/27/33/1095432733.db2.gz CYVFMEMBOBHJJO-OLZOCXBDSA-N 1 3 328.407 2.214 10 0 EEAEHO Cc1noc(C)c1C[NH2+]C1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001441742262 1095733845 /nfs/dbraw/zinc/73/38/45/1095733845.db2.gz UQNITLRJKBAXHA-UHFFFAOYSA-N 1 3 336.480 2.149 10 0 EEAEHO COc1cc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)ccc1C ZINC001441837494 1095905008 /nfs/dbraw/zinc/90/50/08/1095905008.db2.gz PGBQHKFSWSHVPP-AEFFLSMTSA-N 1 3 347.503 2.423 10 0 EEAEHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)c(C)n1 ZINC001441846755 1095928658 /nfs/dbraw/zinc/92/86/58/1095928658.db2.gz JDYJTOZQEAYXGV-YJBOKZPZSA-N 1 3 332.492 2.166 10 0 EEAEHO Cc1ccncc1CN[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001441865971 1095973708 /nfs/dbraw/zinc/97/37/08/1095973708.db2.gz DHVQCQVUJMFSRB-WMZOPIPTSA-N 1 3 332.492 2.105 10 0 EEAEHO Cc1ccncc1CN[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001441865971 1095973715 /nfs/dbraw/zinc/97/37/15/1095973715.db2.gz DHVQCQVUJMFSRB-WMZOPIPTSA-N 1 3 332.492 2.105 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCC[N@H+](C[C@H]1CCC(F)(F)C1)C1CC1 ZINC001443052665 1097460172 /nfs/dbraw/zinc/46/01/72/1097460172.db2.gz SMBRSVXDBHWSBM-ZDUSSCGKSA-N 1 3 340.418 2.277 10 0 EEAEHO 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COc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1C ZINC001447872608 1103488150 /nfs/dbraw/zinc/48/81/50/1103488150.db2.gz SCWADCUMPVCZIR-HZPDHXFCSA-N 1 3 347.503 2.471 10 0 EEAEHO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001447873979 1103490958 /nfs/dbraw/zinc/49/09/58/1103490958.db2.gz UAOCRVUQXOQAEC-LSDHHAIUSA-N 1 3 333.476 2.162 10 0 EEAEHO CO[C@@H](C)CN1CC([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001448319215 1104382586 /nfs/dbraw/zinc/38/25/86/1104382586.db2.gz ZQEBEYUFQXAXHB-GJZGRUSLSA-N 1 3 339.524 2.111 10 0 EEAEHO CO[C@@H](C)CN1CC([C@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001448319215 1104382596 /nfs/dbraw/zinc/38/25/96/1104382596.db2.gz ZQEBEYUFQXAXHB-GJZGRUSLSA-N 1 3 339.524 2.111 10 0 EEAEHO C[C@@H](NC(=O)CN1CC[C@@H](C)C1)C1C[NH+](CCc2ccccc2)C1 ZINC001448322932 1104391564 /nfs/dbraw/zinc/39/15/64/1104391564.db2.gz TUTVNZNDARKITN-IAGOWNOFSA-N 1 3 329.488 2.007 10 0 EEAEHO CCc1cccc(OCCN(C)C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001498449169 1107552382 /nfs/dbraw/zinc/55/23/82/1107552382.db2.gz CELPRKRFORCGTD-AEFFLSMTSA-N 1 3 347.503 2.016 10 0 EEAEHO CCc1cccc(OCCN(C)C[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001498449169 1107552391 /nfs/dbraw/zinc/55/23/91/1107552391.db2.gz CELPRKRFORCGTD-AEFFLSMTSA-N 1 3 347.503 2.016 10 0 EEAEHO CN(CCC[NH2+]CC1CCC1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001498613464 1107809805 /nfs/dbraw/zinc/80/98/05/1107809805.db2.gz RBNQVOYMZFTHGM-SFHVURJKSA-N 1 3 327.488 2.437 10 0 EEAEHO COc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)CN(C)C(C)C)C2)c1C ZINC001479415548 1110693798 /nfs/dbraw/zinc/69/37/98/1110693798.db2.gz DFEZBQGPTATBHL-SAABIXHNSA-N 1 3 347.503 2.328 10 0 EEAEHO Cc1cc(C[N@@H+]2C[C@H]3CN(C(=O)CN(C)C(C)C)C[C@H]3C2)cs1 ZINC001501243001 1113259181 /nfs/dbraw/zinc/25/91/81/1113259181.db2.gz RTTSVZMAVQURMG-CALCHBBNSA-N 1 3 335.517 2.287 10 0 EEAEHO Cc1cc(C[N@H+]2C[C@H]3CN(C(=O)CN(C)C(C)C)C[C@H]3C2)cs1 ZINC001501243001 1113259186 /nfs/dbraw/zinc/25/91/86/1113259186.db2.gz RTTSVZMAVQURMG-CALCHBBNSA-N 1 3 335.517 2.287 10 0 EEAEHO Cc1cc(CNCC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001568057836 1124263609 /nfs/dbraw/zinc/26/36/09/1124263609.db2.gz YBOVMCLKUBNBCF-JFIYKMOQSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1cc(CNCC[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001568057836 1124263616 /nfs/dbraw/zinc/26/36/16/1124263616.db2.gz YBOVMCLKUBNBCF-JFIYKMOQSA-N 1 3 348.491 2.042 10 0 EEAEHO CC[C@H](F)C[NH2+]CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001568087778 1124292602 /nfs/dbraw/zinc/29/26/02/1124292602.db2.gz NOOZWNDFSBKOFB-INIZCTEOSA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC2(C[NH+](CCCCCF)C2)CC1 ZINC001568253980 1124388416 /nfs/dbraw/zinc/38/84/16/1124388416.db2.gz VUEXVSPHRTZUND-UHFFFAOYSA-N 1 3 327.488 2.391 10 0 EEAEHO Cc1ncoc1CN1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001568515446 1124577415 /nfs/dbraw/zinc/57/74/15/1124577415.db2.gz LEWOUZHRWQPVCN-IAGOWNOFSA-N 1 3 348.491 2.138 10 0 EEAEHO Cc1nc(C)c(CNCC[C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001568645738 1124658434 /nfs/dbraw/zinc/65/84/34/1124658434.db2.gz KAZCHEYRWNVLGD-AWEZNQCLSA-N 1 3 348.491 2.152 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC/C=C\CN[C@H]2CCc3ccc(F)cc32)C1 ZINC001568952047 1124986869 /nfs/dbraw/zinc/98/68/69/1124986869.db2.gz UOXJMWHNCLBPAP-RITUYPHNSA-N 1 3 345.462 2.417 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC/C=C\CN[C@H]2CCc3ccc(F)cc32)C1 ZINC001568952047 1124986875 /nfs/dbraw/zinc/98/68/75/1124986875.db2.gz UOXJMWHNCLBPAP-RITUYPHNSA-N 1 3 345.462 2.417 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)NC/C=C\CN[C@H]2CCc3ccc(F)cc32)C1 ZINC001568964144 1124999448 /nfs/dbraw/zinc/99/94/48/1124999448.db2.gz PJAWXWOYJDLPLB-BVBZKVNYSA-N 1 3 331.435 2.027 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)NC/C=C\CN[C@H]2CCc3ccc(F)cc32)C1 ZINC001568964144 1124999451 /nfs/dbraw/zinc/99/94/51/1124999451.db2.gz PJAWXWOYJDLPLB-BVBZKVNYSA-N 1 3 331.435 2.027 10 0 EEAEHO C[C@H](NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC001568964607 1125001892 /nfs/dbraw/zinc/00/18/92/1125001892.db2.gz VLFCYGPHMCYTEK-GLAGEYFUSA-N 1 3 337.414 2.240 10 0 EEAEHO C[C@H](NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC001568964607 1125001899 /nfs/dbraw/zinc/00/18/99/1125001899.db2.gz VLFCYGPHMCYTEK-GLAGEYFUSA-N 1 3 337.414 2.240 10 0 EEAEHO CCOCCN(C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001569118926 1125110108 /nfs/dbraw/zinc/11/01/08/1125110108.db2.gz XKAWMHCSOYSLGF-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO CCOCCN(C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001569118926 1125110112 /nfs/dbraw/zinc/11/01/12/1125110112.db2.gz XKAWMHCSOYSLGF-IAGOWNOFSA-N 1 3 339.524 2.114 10 0 EEAEHO CN(CCC[NH2+]Cc1sccc1Cl)C(=O)CN1CCCC1 ZINC001569267056 1125206559 /nfs/dbraw/zinc/20/65/59/1125206559.db2.gz LQBRNSRNWZFEJH-UHFFFAOYSA-N 1 3 329.897 2.435 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CCC(C[NH+](C)C)CC2)[C@@H]1c1ccccc1 ZINC000372267573 282081352 /nfs/dbraw/zinc/08/13/52/282081352.db2.gz SBFGVAXPGSFJRS-OALUTQOASA-N 1 3 344.503 2.415 10 0 EEAEHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000051759651 214103816 /nfs/dbraw/zinc/10/38/16/214103816.db2.gz BSUGHZZRNLUCMI-HNNXBMFYSA-N 1 3 345.491 2.000 10 0 EEAEHO CN(Cc1ccccc1C[N@H+](C)CC1(CO)CC1)CC1(CO)CC1 ZINC000190028522 530001405 /nfs/dbraw/zinc/00/14/05/530001405.db2.gz CTGNXFXVAYKGFD-UHFFFAOYSA-N 1 3 332.488 2.095 10 0 EEAEHO CN(Cc1ccccc1C[N@@H+](C)CC1(CO)CC1)CC1(CO)CC1 ZINC000190028522 530001407 /nfs/dbraw/zinc/00/14/07/530001407.db2.gz CTGNXFXVAYKGFD-UHFFFAOYSA-N 1 3 332.488 2.095 10 0 EEAEHO C[C@@H](CNC(=O)c1ccccc1OCC[NH+](C)C)N1CCC(C)CC1 ZINC000067269542 215130343 /nfs/dbraw/zinc/13/03/43/215130343.db2.gz QTWHIBHSQXOGQD-KRWDZBQOSA-N 1 3 347.503 2.477 10 0 EEAEHO C/C(=C\c1ccco1)CN1CC[C@@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000067908056 215246747 /nfs/dbraw/zinc/24/67/47/215246747.db2.gz REWGVZBPXJZZDK-SFKKXYGYSA-N 1 3 331.460 2.393 10 0 EEAEHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCN2CCc3ccccc3C2)C1 ZINC000416169810 239095644 /nfs/dbraw/zinc/09/56/44/239095644.db2.gz HFSVTKIBCBZIDS-OALUTQOASA-N 1 3 329.488 2.424 10 0 EEAEHO C[C@H](CNC(=O)N[C@H](Cc1ccccc1)CN(C)C)C[NH+]1CCCC1 ZINC000127962455 292333739 /nfs/dbraw/zinc/33/37/39/292333739.db2.gz WMWCXIWGJDRMBI-IEBWSBKVSA-N 1 3 346.519 2.190 10 0 EEAEHO C[C@@H](CCNC(=O)N1CCN2CCC[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000245423301 160233690 /nfs/dbraw/zinc/23/36/90/160233690.db2.gz BETYFXGCLQLSEA-HKUYNNGSSA-N 1 3 344.503 2.387 10 0 EEAEHO C[C@@H](CCNC(=O)N1CCN2CCC[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000245423301 160233691 /nfs/dbraw/zinc/23/36/91/160233691.db2.gz BETYFXGCLQLSEA-HKUYNNGSSA-N 1 3 344.503 2.387 10 0 EEAEHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245647899 160245934 /nfs/dbraw/zinc/24/59/34/160245934.db2.gz MATCEYBAIZQSFH-NXHRZFHOSA-N 1 3 332.492 2.461 10 0 EEAEHO CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000246501869 160282112 /nfs/dbraw/zinc/28/21/12/160282112.db2.gz SECKJLJXQNHRKY-FUHWJXTLSA-N 1 3 336.524 2.233 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000354979326 163039255 /nfs/dbraw/zinc/03/92/55/163039255.db2.gz LEPPGVRKGLAKSO-QRQLOZEOSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000354979326 163039257 /nfs/dbraw/zinc/03/92/57/163039257.db2.gz LEPPGVRKGLAKSO-QRQLOZEOSA-N 1 3 344.503 2.385 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)c1cccnc1 ZINC000359929014 164198388 /nfs/dbraw/zinc/19/83/88/164198388.db2.gz CGAUVKYHOLSCOR-PKOBYXMFSA-N 1 3 346.519 2.450 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)c1cccnc1 ZINC000359929014 164198389 /nfs/dbraw/zinc/19/83/89/164198389.db2.gz CGAUVKYHOLSCOR-PKOBYXMFSA-N 1 3 346.519 2.450 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)[NH+](CC)CC ZINC000275572471 269125972 /nfs/dbraw/zinc/12/59/72/269125972.db2.gz FIGVAUQKSRDXKC-MOPGFXCFSA-N 1 3 346.519 2.482 10 0 EEAEHO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000290425139 275206232 /nfs/dbraw/zinc/20/62/32/275206232.db2.gz OYAKJNIHRVNSFO-SFHVURJKSA-N 1 3 339.455 2.382 10 0 EEAEHO COC(=O)C(C)(C)CC[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414519789 313035768 /nfs/dbraw/zinc/03/57/68/313035768.db2.gz BQBRVDHLTAWDIQ-UHFFFAOYSA-N 1 3 348.487 2.192 10 0 EEAEHO CN(C)[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000416813071 313323555 /nfs/dbraw/zinc/32/35/55/313323555.db2.gz UCTUQIZERATROB-IEBWSBKVSA-N 1 3 330.476 2.074 10 0 EEAEHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417016361 313396225 /nfs/dbraw/zinc/39/62/25/313396225.db2.gz GASSBDOMHNYCSR-RBUKOAKNSA-N 1 3 342.487 2.359 10 0 EEAEHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417539500 313536497 /nfs/dbraw/zinc/53/64/97/313536497.db2.gz VLRVBKIRBVVIJE-IAGOWNOFSA-N 1 3 336.524 2.425 10 0 EEAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)N(C)C ZINC000418183580 313739114 /nfs/dbraw/zinc/73/91/14/313739114.db2.gz OLLZXDTXJZYOSD-ATLSCFEFSA-N 1 3 332.492 2.283 10 0 EEAEHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000418586110 313853492 /nfs/dbraw/zinc/85/34/92/313853492.db2.gz ZJMRCENHAVONGR-HKUYNNGSSA-N 1 3 346.519 2.190 10 0 EEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000448851317 315392462 /nfs/dbraw/zinc/39/24/62/315392462.db2.gz CGBVWIAEAKZPHP-BFHYXJOUSA-N 1 3 335.414 2.059 10 0 EEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000448851317 315392463 /nfs/dbraw/zinc/39/24/63/315392463.db2.gz CGBVWIAEAKZPHP-BFHYXJOUSA-N 1 3 335.414 2.059 10 0 EEAEHO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000527480608 317199114 /nfs/dbraw/zinc/19/91/14/317199114.db2.gz AVLBDGGJSHVJHQ-SJLPKXTDSA-N 1 3 332.492 2.140 10 0 EEAEHO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000529668963 317625213 /nfs/dbraw/zinc/62/52/13/317625213.db2.gz JYQJVPBAZAORQX-IBGZPJMESA-N 1 3 336.439 2.467 10 0 EEAEHO CN(CCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccncc1 ZINC000542785290 318139976 /nfs/dbraw/zinc/13/99/76/318139976.db2.gz MWFVXGQPKXJXKU-KRWDZBQOSA-N 1 3 330.476 2.242 10 0 EEAEHO N[C@@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)C1 ZINC000563423593 319009756 /nfs/dbraw/zinc/00/97/56/319009756.db2.gz GYUCAZPOILHODB-IEBWSBKVSA-N 1 3 329.488 2.470 10 0 EEAEHO CC(C)N(C)C(=O)C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000579602419 323891149 /nfs/dbraw/zinc/89/11/49/323891149.db2.gz CCQBUWMJYUFXAN-UHFFFAOYSA-N 1 3 329.488 2.411 10 0 EEAEHO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000337324813 465306030 /nfs/dbraw/zinc/30/60/30/465306030.db2.gz NKKUSOSTDXLZKE-OAHLLOKOSA-N 1 3 336.480 2.479 10 0 EEAEHO [NH3+]CCc1ccccc1C(=O)NCCCN1CCc2ccccc2C1 ZINC000568153087 468278497 /nfs/dbraw/zinc/27/84/97/468278497.db2.gz WCGWRABJJQIEDJ-UHFFFAOYSA-N 1 3 337.467 2.366 10 0 EEAEHO CC[NH+]1CCC(N2CCC(C(=O)NCCCCSC)CC2)CC1 ZINC000568199827 468294786 /nfs/dbraw/zinc/29/47/86/468294786.db2.gz JKNDOMLLEAAFSH-UHFFFAOYSA-N 1 3 341.565 2.442 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000175451146 464553228 /nfs/dbraw/zinc/55/32/28/464553228.db2.gz DIUFJJHNFHXUMX-QRQLOZEOSA-N 1 3 344.503 2.433 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000175451146 464553234 /nfs/dbraw/zinc/55/32/34/464553234.db2.gz DIUFJJHNFHXUMX-QRQLOZEOSA-N 1 3 344.503 2.433 10 0 EEAEHO O=C1[C@H](NC2CCN(c3cc[nH+]cc3)CC2)CCN1c1ccccc1 ZINC000298488080 465409789 /nfs/dbraw/zinc/40/97/89/465409789.db2.gz PXSXENBADIGJDV-LJQANCHMSA-N 1 3 336.439 2.446 10 0 EEAEHO CN1CC[C@H]([NH2+]C[C@H](O)COc2ccc(F)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000353500583 465936065 /nfs/dbraw/zinc/93/60/65/465936065.db2.gz FZFXWHKECRZKHK-ZUXXIDCJSA-N 1 3 340.414 2.167 10 0 EEAEHO C[N@@H+]1CC[C@H](NC[C@H](O)COc2ccc(F)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000353500583 465936068 /nfs/dbraw/zinc/93/60/68/465936068.db2.gz FZFXWHKECRZKHK-ZUXXIDCJSA-N 1 3 340.414 2.167 10 0 EEAEHO C[N@H+]1CC[C@H](NC[C@H](O)COc2ccc(F)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000353500583 465936071 /nfs/dbraw/zinc/93/60/71/465936071.db2.gz FZFXWHKECRZKHK-ZUXXIDCJSA-N 1 3 340.414 2.167 10 0 EEAEHO CN1CC[C@H]([NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000353521804 465948902 /nfs/dbraw/zinc/94/89/02/465948902.db2.gz SQGCPYSIVJKRPE-PLACYPQZSA-N 1 3 343.515 2.086 10 0 EEAEHO Cc1ccc2[nH+]ccc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)c2c1 ZINC000302204386 466120405 /nfs/dbraw/zinc/12/04/05/466120405.db2.gz CMLBVASSGLZPQX-IBGZPJMESA-N 1 3 338.455 2.286 10 0 EEAEHO COCCN1CCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338536606 466204888 /nfs/dbraw/zinc/20/48/88/466204888.db2.gz OOZZUNCPAKWOSC-LJQANCHMSA-N 1 3 345.487 2.123 10 0 EEAEHO CN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349806807 466249376 /nfs/dbraw/zinc/24/93/76/466249376.db2.gz LBYLFQFRMGJBGI-IEBWSBKVSA-N 1 3 342.487 2.139 10 0 EEAEHO CN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000349806807 466249385 /nfs/dbraw/zinc/24/93/85/466249385.db2.gz LBYLFQFRMGJBGI-IEBWSBKVSA-N 1 3 342.487 2.139 10 0 EEAEHO CCNC(=O)COc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367626289 466458146 /nfs/dbraw/zinc/45/81/46/466458146.db2.gz NUXJFSLCHFYUQH-GUDVDZBRSA-N 1 3 345.487 2.164 10 0 EEAEHO CCNC(=O)COc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367626289 466458156 /nfs/dbraw/zinc/45/81/56/466458156.db2.gz NUXJFSLCHFYUQH-GUDVDZBRSA-N 1 3 345.487 2.164 10 0 EEAEHO CCNC(=O)COc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c1 ZINC000367626289 466458161 /nfs/dbraw/zinc/45/81/61/466458161.db2.gz NUXJFSLCHFYUQH-GUDVDZBRSA-N 1 3 345.487 2.164 10 0 EEAEHO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(OCCN(C)C)cc1 ZINC000358153879 466497864 /nfs/dbraw/zinc/49/78/64/466497864.db2.gz GHHQRJSQKVJJAS-OOHWJJMZSA-N 1 3 333.476 2.322 10 0 EEAEHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(C(C)(C)N)no2)cc1 ZINC000662411877 472101800 /nfs/dbraw/zinc/10/18/00/472101800.db2.gz ZDMMEOAZENKVIU-CQSZACIVSA-N 1 3 330.432 2.422 10 0 EEAEHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417524922 466877232 /nfs/dbraw/zinc/87/72/32/466877232.db2.gz ACXKGRFWLFOJSX-NUJGCVRESA-N 1 3 336.524 2.280 10 0 EEAEHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000417933482 466991218 /nfs/dbraw/zinc/99/12/18/466991218.db2.gz DXKAPDMBSFBROY-RYQLBKOJSA-N 1 3 330.476 2.073 10 0 EEAEHO CC1(C)CCC[NH2+][C@@H]1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424214222 467005478 /nfs/dbraw/zinc/00/54/78/467005478.db2.gz CCNBUZAMIPEUSL-IPMKNSEASA-N 1 3 341.499 2.498 10 0 EEAEHO CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c1 ZINC000377128024 467036615 /nfs/dbraw/zinc/03/66/15/467036615.db2.gz NXKQOZKHHAGTJD-OTWHNJEPSA-N 1 3 331.460 2.486 10 0 EEAEHO CC(=O)Nc1cccc(OCCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000377128024 467036619 /nfs/dbraw/zinc/03/66/19/467036619.db2.gz NXKQOZKHHAGTJD-OTWHNJEPSA-N 1 3 331.460 2.486 10 0 EEAEHO CC(=O)Nc1cccc(OCCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000377128024 467036622 /nfs/dbraw/zinc/03/66/22/467036622.db2.gz NXKQOZKHHAGTJD-OTWHNJEPSA-N 1 3 331.460 2.486 10 0 EEAEHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccco1 ZINC000418160379 467062714 /nfs/dbraw/zinc/06/27/14/467062714.db2.gz CYQRKJWQBORHOL-MWDXBVQZSA-N 1 3 348.491 2.350 10 0 EEAEHO CC(C)c1ccc([C@@H](N)CNC(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000418367365 467099799 /nfs/dbraw/zinc/09/97/99/467099799.db2.gz ZJSUOGUNJOMURI-SFHVURJKSA-N 1 3 341.459 2.038 10 0 EEAEHO CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000433954447 467367392 /nfs/dbraw/zinc/36/73/92/467367392.db2.gz TUBZXGSDRHLETF-GOSISDBHSA-N 1 3 336.524 2.425 10 0 EEAEHO COc1ccc([C@@H](C[NH3+])CN2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000420372713 467382191 /nfs/dbraw/zinc/38/21/91/467382191.db2.gz LUUSBTCHLLMWQA-HOTGVXAUSA-N 1 3 342.443 2.487 10 0 EEAEHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000420372713 467382195 /nfs/dbraw/zinc/38/21/95/467382195.db2.gz LUUSBTCHLLMWQA-HOTGVXAUSA-N 1 3 342.443 2.487 10 0 EEAEHO 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CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1ccnc(Cl)c1 ZINC001266941158 1177858663 /nfs/dbraw/zinc/85/86/63/1177858663.db2.gz BOXCKSDMDBGCCZ-ZFWWWQNUSA-N 1 3 338.883 2.204 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccc(Cl)nc1 ZINC001691317604 1177899255 /nfs/dbraw/zinc/89/92/55/1177899255.db2.gz ZZNFPYNCMLHLOS-OAHLLOKOSA-N 1 3 338.883 2.156 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccc(Cl)nc1 ZINC001691317604 1177899261 /nfs/dbraw/zinc/89/92/61/1177899261.db2.gz ZZNFPYNCMLHLOS-OAHLLOKOSA-N 1 3 338.883 2.156 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1cc(F)cc(F)c1 ZINC001267372760 1178882679 /nfs/dbraw/zinc/88/26/79/1178882679.db2.gz XBRDGDPSOFEWKC-QGZVFWFLSA-N 1 3 339.430 2.386 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1cc(F)cc(F)c1 ZINC001267372760 1178882689 /nfs/dbraw/zinc/88/26/89/1178882689.db2.gz XBRDGDPSOFEWKC-QGZVFWFLSA-N 1 3 339.430 2.386 10 0 EEAEHO COCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001267567843 1179382220 /nfs/dbraw/zinc/38/22/20/1179382220.db2.gz QONOWFPYQHSECW-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001267567843 1179382227 /nfs/dbraw/zinc/38/22/27/1179382227.db2.gz QONOWFPYQHSECW-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)OCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001481111241 1179761884 /nfs/dbraw/zinc/76/18/84/1179761884.db2.gz BQIPNELYGMFEEQ-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)OCC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001481111241 1179761887 /nfs/dbraw/zinc/76/18/87/1179761887.db2.gz BQIPNELYGMFEEQ-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CCOCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001267922126 1180768554 /nfs/dbraw/zinc/76/85/54/1180768554.db2.gz VBZAROWCBMNVLE-SFHVURJKSA-N 1 3 339.524 2.116 10 0 EEAEHO Cc1ccccc1OCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001268078259 1181687111 /nfs/dbraw/zinc/68/71/11/1181687111.db2.gz CMTUDHWIEPMKCW-ZWKOTPCHSA-N 1 3 347.503 2.295 10 0 EEAEHO COCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001268175410 1181953961 /nfs/dbraw/zinc/95/39/61/1181953961.db2.gz DUFSRWIJGGYJBK-IAGOWNOFSA-N 1 3 341.540 2.218 10 0 EEAEHO CC(C)(C(=O)NCC1C[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1)N1CCCC1 ZINC001481638450 1182014608 /nfs/dbraw/zinc/01/46/08/1182014608.db2.gz MGXTVTRVVZJIBG-BPQIPLTHSA-N 1 3 333.520 2.345 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ncccc1C ZINC001268425459 1182592508 /nfs/dbraw/zinc/59/25/08/1182592508.db2.gz GBBMYNLMLPNAHF-WMZOPIPTSA-N 1 3 332.492 2.249 10 0 EEAEHO CCN(CC[NH2+]CCOc1c(C)cccc1C)C(=O)[C@@H]1CCCN1C ZINC001268438439 1182612166 /nfs/dbraw/zinc/61/21/66/1182612166.db2.gz GVYQTKXGSCENQH-SFHVURJKSA-N 1 3 347.503 2.215 10 0 EEAEHO CCN(CCNCc1cncs1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268482882 1182945638 /nfs/dbraw/zinc/94/56/38/1182945638.db2.gz ZRFSRHSFTQGPHU-OAHLLOKOSA-N 1 3 338.521 2.346 10 0 EEAEHO CCN(CCNCc1cccnc1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268485506 1182959591 /nfs/dbraw/zinc/95/95/91/1182959591.db2.gz FGDUJTVFHYEQPX-ZWKOTPCHSA-N 1 3 330.476 2.037 10 0 EEAEHO CCN(CCNCc1cccnc1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001268485506 1182959598 /nfs/dbraw/zinc/95/95/98/1182959598.db2.gz FGDUJTVFHYEQPX-ZWKOTPCHSA-N 1 3 330.476 2.037 10 0 EEAEHO CCN(CC[NH2+]Cc1cncc(C)c1)C(=O)CN1CCC(C)CC1 ZINC001268487961 1182968237 /nfs/dbraw/zinc/96/82/37/1182968237.db2.gz XWRRAZQVIGTMLV-UHFFFAOYSA-N 1 3 332.492 2.060 10 0 EEAEHO C[C@H]1CCCC[C@]1(CNCc1ccccn1)NC(=O)CC[NH+](C)C ZINC001481962355 1183034844 /nfs/dbraw/zinc/03/48/44/1183034844.db2.gz QUVMSBJYVDGPTG-QFBILLFUSA-N 1 3 332.492 2.188 10 0 EEAEHO COc1cccc([C@@H](C)[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)c1 ZINC001268576969 1183325739 /nfs/dbraw/zinc/32/57/39/1183325739.db2.gz XUEHSLLJVOPYJD-PGFQARHSSA-N 1 3 331.460 2.112 10 0 EEAEHO C[NH+]1CCC(C(=O)NC/C=C\CN[C@@H]2CCc3c2cccc3F)CC1 ZINC001268587745 1183386080 /nfs/dbraw/zinc/38/60/80/1183386080.db2.gz KYDBREHNRFRPJL-FFPCURRISA-N 1 3 345.462 2.417 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C\C[NH2+][C@H]1CCc2c1cccc2F ZINC001268624715 1183547722 /nfs/dbraw/zinc/54/77/22/1183547722.db2.gz FUCUPQOUORACEP-LPQSXRFUSA-N 1 3 331.435 2.171 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]C/C=C/c1ccccc1 ZINC001270516614 1185141530 /nfs/dbraw/zinc/14/15/30/1185141530.db2.gz FYTAEKNACBNWCP-WMHOYKDJSA-N 1 3 329.488 2.384 10 0 EEAEHO C[C@H](C[NH2+]CCc1ccccc1Cl)N(C)C(=O)[C@H]1CCCN1C ZINC001270921286 1185742129 /nfs/dbraw/zinc/74/21/29/1185742129.db2.gz HUYVBLKEHBYEIH-RHSMWYFYSA-N 1 3 337.895 2.413 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccns1 ZINC001271566432 1186317419 /nfs/dbraw/zinc/31/74/19/1186317419.db2.gz OVPOOTUUCWUHPA-GDBMZVCRSA-N 1 3 336.505 2.098 10 0 EEAEHO C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)[C@@H]1CNCCF ZINC001482501780 1186418766 /nfs/dbraw/zinc/41/87/66/1186418766.db2.gz UAFCTOGLBNRKLF-DLBZAZTESA-N 1 3 327.488 2.439 10 0 EEAEHO C[C@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001482870794 1187790595 /nfs/dbraw/zinc/79/05/95/1187790595.db2.gz GWKBONKZYJQVNX-HZPDHXFCSA-N 1 3 342.487 2.494 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)CN1CC[C@H](C)C1 ZINC001482871542 1187791312 /nfs/dbraw/zinc/79/13/12/1187791312.db2.gz PEIKJPJQQJPDEO-KBPBESRZSA-N 1 3 339.430 2.291 10 0 EEAEHO CCN(CC[NH2+]Cc1ccc(C)c(OC)c1)C(=O)C1(N(C)C)CCC1 ZINC001482932138 1187841619 /nfs/dbraw/zinc/84/16/19/1187841619.db2.gz UVTHPSKACZROQX-UHFFFAOYSA-N 1 3 347.503 2.426 10 0 EEAEHO Cc1ncccc1CNC/C=C/CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001483096839 1188470935 /nfs/dbraw/zinc/47/09/35/1188470935.db2.gz FKHQOZSGISZZJM-RYIQXIGLSA-N 1 3 330.476 2.025 10 0 EEAEHO Cc1ncccc1CNC/C=C/CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001483096839 1188470939 /nfs/dbraw/zinc/47/09/39/1188470939.db2.gz FKHQOZSGISZZJM-RYIQXIGLSA-N 1 3 330.476 2.025 10 0 EEAEHO COc1cccc(CN(C)[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001409620280 1190111343 /nfs/dbraw/zinc/11/13/43/1190111343.db2.gz WFZMGPMCEGUNGB-BQFCYCMXSA-N 1 3 347.503 2.362 10 0 EEAEHO COc1cccc(CN(C)[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001409620280 1190111346 /nfs/dbraw/zinc/11/13/46/1190111346.db2.gz WFZMGPMCEGUNGB-BQFCYCMXSA-N 1 3 347.503 2.362 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)CCC[NH2+]Cc1ccc(F)c(F)c1 ZINC001483512438 1190525513 /nfs/dbraw/zinc/52/55/13/1190525513.db2.gz ZRMNSLMVKQDQDQ-UHFFFAOYSA-N 1 3 327.419 2.243 10 0 EEAEHO Cc1ccncc1CN1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001409821260 1190653402 /nfs/dbraw/zinc/65/34/02/1190653402.db2.gz BVGCAXMHMNVTGH-SFHVURJKSA-N 1 3 332.492 2.203 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cncs2)[C@H](CC)C1 ZINC001483626957 1190691655 /nfs/dbraw/zinc/69/16/55/1190691655.db2.gz TZEVLIMSHHQJEW-ZBFHGGJFSA-N 1 3 338.521 2.202 10 0 EEAEHO CC[C@@H](NCCN(C)C(=O)CC[NH+](C)C)c1ccc(F)cc1F ZINC001493682684 1190739821 /nfs/dbraw/zinc/73/98/21/1190739821.db2.gz YNFOZNRSUKYGFJ-MRXNPFEDSA-N 1 3 327.419 2.416 10 0 EEAEHO CC(C)COCC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001691636914 1190744693 /nfs/dbraw/zinc/74/46/93/1190744693.db2.gz PEVJOJYTZZWSBF-GOSISDBHSA-N 1 3 341.540 2.360 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1CC[C@@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001483847996 1191083196 /nfs/dbraw/zinc/08/31/96/1191083196.db2.gz QFLRFCQIPUQNIW-SJLPKXTDSA-N 1 3 327.488 2.391 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1CC[C@@]2(CCN(C[C@H](F)CC)C2)C1 ZINC001483847996 1191083199 /nfs/dbraw/zinc/08/31/99/1191083199.db2.gz QFLRFCQIPUQNIW-SJLPKXTDSA-N 1 3 327.488 2.391 10 0 EEAEHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001484368697 1191320818 /nfs/dbraw/zinc/32/08/18/1191320818.db2.gz HLNRQAHASWQMFF-OLZOCXBDSA-N 1 3 348.318 2.474 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](CC[NH2+]CCc3cccs3)C2)C1 ZINC001484538252 1191404442 /nfs/dbraw/zinc/40/44/42/1191404442.db2.gz WBYCNSJGZNNISE-IAGOWNOFSA-N 1 3 349.544 2.461 10 0 EEAEHO CC(C)(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CCO1 ZINC001484689041 1191471648 /nfs/dbraw/zinc/47/16/48/1191471648.db2.gz QUKJZMKHWXSFNJ-MRXNPFEDSA-N 1 3 339.524 2.114 10 0 EEAEHO CN(CCC[N@H+](C)CCCF)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001484759280 1191511870 /nfs/dbraw/zinc/51/18/70/1191511870.db2.gz XJIRAEYNDAQSQT-QGZVFWFLSA-N 1 3 333.467 2.339 10 0 EEAEHO CN(CCC[N@@H+](C)CCCF)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001484759280 1191511873 /nfs/dbraw/zinc/51/18/73/1191511873.db2.gz XJIRAEYNDAQSQT-QGZVFWFLSA-N 1 3 333.467 2.339 10 0 EEAEHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCCN(C)Cc1ccccn1 ZINC001484769487 1191512451 /nfs/dbraw/zinc/51/24/51/1191512451.db2.gz WDLSXBAHNJLJTA-IRXDYDNUSA-N 1 3 332.492 2.235 10 0 EEAEHO Cc1ncc(CN[C@@H](C)[C@H](C)NC(=O)C23CCC[NH+]2CCC3)s1 ZINC001485167145 1191676930 /nfs/dbraw/zinc/67/69/30/1191676930.db2.gz UNVXETFEMUPNLT-STQMWFEESA-N 1 3 336.505 2.063 10 0 EEAEHO Cc1ncc(CN[C@H](C)[C@@H](C)NC(=O)CCC[NH+]2CCCCC2)cn1 ZINC001485224424 1191696618 /nfs/dbraw/zinc/69/66/18/1191696618.db2.gz IOAVDXFJGTXRPN-HZPDHXFCSA-N 1 3 347.507 2.034 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCOc2ccccc2)C(C)(C)C1 ZINC001486246570 1193773177 /nfs/dbraw/zinc/77/31/77/1193773177.db2.gz NFIFCCMCYABUFR-GOSISDBHSA-N 1 3 347.503 2.234 10 0 EEAEHO Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001486249376 1193776470 /nfs/dbraw/zinc/77/64/70/1193776470.db2.gz GTBVGZVNANQYJL-QGZVFWFLSA-N 1 3 332.492 2.057 10 0 EEAEHO CC(C)N(CCN(C)CCOC1CCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001486369815 1193871009 /nfs/dbraw/zinc/87/10/09/1193871009.db2.gz NSYHAHIACKNADI-SJLPKXTDSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)N(CCN(C)CCOC1CCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001486369815 1193871015 /nfs/dbraw/zinc/87/10/15/1193871015.db2.gz NSYHAHIACKNADI-SJLPKXTDSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)OCC[NH+]1CCC([C@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001486446226 1193961269 /nfs/dbraw/zinc/96/12/69/1193961269.db2.gz CLDJOOSDJHMDCA-INIZCTEOSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1ccc(F)cc1C[NH2+][C@@H](C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001410430911 1197876821 /nfs/dbraw/zinc/87/68/21/1197876821.db2.gz DZCIUWZGQXBYJU-HOCLYGCPSA-N 1 3 335.467 2.412 10 0 EEAEHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)NCc1cncs1 ZINC001410444408 1197923436 /nfs/dbraw/zinc/92/34/36/1197923436.db2.gz BQOMTHNUVFDOEQ-ZBFHGGJFSA-N 1 3 338.521 2.343 10 0 EEAEHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)NCc1cncs1 ZINC001410444408 1197923441 /nfs/dbraw/zinc/92/34/41/1197923441.db2.gz BQOMTHNUVFDOEQ-ZBFHGGJFSA-N 1 3 338.521 2.343 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccn(C(C)C)n2)C1 ZINC001410953729 1198621551 /nfs/dbraw/zinc/62/15/51/1198621551.db2.gz KOINUUHPJDFNPJ-IAGOWNOFSA-N 1 3 349.523 2.179 10 0 EEAEHO Cc1nc(C)c(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C2)o1 ZINC001410962443 1198638473 /nfs/dbraw/zinc/63/84/73/1198638473.db2.gz RZJHPOUQXHZLKS-JKSUJKDBSA-N 1 3 336.480 2.006 10 0 EEAEHO CC[C@@H](F)CN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC001410981308 1198657804 /nfs/dbraw/zinc/65/78/04/1198657804.db2.gz NWSUUUXOUSJDER-HUUCEWRRSA-N 1 3 325.472 2.190 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC/C=C\C[NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001274367664 1205011428 /nfs/dbraw/zinc/01/14/28/1205011428.db2.gz DNMSINXQGUASBT-INQOVCNISA-N 1 3 343.462 2.416 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCN1C ZINC000925337748 1206099718 /nfs/dbraw/zinc/09/97/18/1206099718.db2.gz RGBPTPWRPLGJKS-SJLPKXTDSA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925521871 1206122531 /nfs/dbraw/zinc/12/25/31/1206122531.db2.gz KQKJCGSLWXMLQK-QRQLOZEOSA-N 1 3 328.504 2.057 10 0 EEAEHO c1ccc(N2CCN(CCCN[C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925538186 1206124906 /nfs/dbraw/zinc/12/49/06/1206124906.db2.gz PHFYGEMYNMHZMA-LJQANCHMSA-N 1 3 328.504 2.073 10 0 EEAEHO Cc1ncc(CNCCCN(C)C(=O)C2CC[NH+](CC3CC3)CC2)o1 ZINC001276323598 1215709434 /nfs/dbraw/zinc/70/94/34/1215709434.db2.gz BURDLSNEUHKGHW-UHFFFAOYSA-N 1 3 348.491 2.043 10 0 EEAEHO c1ccc2c(c1)[C@H](C[C@@H]1COCCN1)CN2C[C@H]1CCCC[NH2+]C1 ZINC000903788279 1241965881 /nfs/dbraw/zinc/96/58/81/1241965881.db2.gz HLVGYOHLVJTSCT-RCCFBDPRSA-N 1 3 329.488 2.358 10 0 EEAEHO CCOc1cc(CNC[C@@H](C[NH3+])Cc2cnn(C)c2C)ccc1OC ZINC000903921917 1242511867 /nfs/dbraw/zinc/51/18/67/1242511867.db2.gz SNFRYOUVRVZVLU-MRXNPFEDSA-N 1 3 346.475 2.043 10 0 EEAEHO CCNC(=O)COc1cccc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925484939 1280970097 /nfs/dbraw/zinc/97/00/97/1280970097.db2.gz KTAKAGYTIQMOSG-CVEARBPZSA-N 1 3 333.476 2.197 10 0 EEAEHO CCN(CCNCc1ccc(Cl)s1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001273753875 1284844673 /nfs/dbraw/zinc/84/46/73/1284844673.db2.gz ZXJDOZCMABAWLI-LBPRGKRZSA-N 1 3 329.897 2.291 10 0 EEAEHO CCN(CCNCc1ccc(Cl)s1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273753875 1284844689 /nfs/dbraw/zinc/84/46/89/1284844689.db2.gz ZXJDOZCMABAWLI-LBPRGKRZSA-N 1 3 329.897 2.291 10 0 EEAEHO CC(C)Oc1cccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCN2C)c1 ZINC001273910344 1289776600 /nfs/dbraw/zinc/77/66/00/1289776600.db2.gz PGIWGBKEZGMVLL-PXPVJAHISA-N 1 3 345.487 2.330 10 0 EEAEHO CCCCNCc1nc2c(s1)CCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001489336569 1290519734 /nfs/dbraw/zinc/51/97/34/1290519734.db2.gz BFJGTXWSMHONLQ-UHFFFAOYSA-N 1 3 348.516 2.013 10 0 EEAEHO CC1(C)C[C@@H](NCCCS(=O)(=O)Cc2ccccc2)C[C@@H]([NH3+])C1 ZINC000925486241 1290541459 /nfs/dbraw/zinc/54/14/59/1290541459.db2.gz QGEMKRBWQKRQAP-SJORKVTESA-N 1 3 338.517 2.487 10 0 EEAEHO CC1(C)C[C@@H]([NH2+]CCCS(=O)(=O)Cc2ccccc2)C[C@@H](N)C1 ZINC000925486241 1290541466 /nfs/dbraw/zinc/54/14/66/1290541466.db2.gz QGEMKRBWQKRQAP-SJORKVTESA-N 1 3 338.517 2.487 10 0 EEAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](NCc1cncc(F)c1)C1CC1 ZINC001490675593 1291559469 /nfs/dbraw/zinc/55/94/69/1291559469.db2.gz YBPYIOMBHOGZRZ-QZTJIDSGSA-N 1 3 348.466 2.080 10 0 EEAEHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](NCc1cncc(F)c1)C1CC1 ZINC001490675593 1291559475 /nfs/dbraw/zinc/55/94/75/1291559475.db2.gz YBPYIOMBHOGZRZ-QZTJIDSGSA-N 1 3 348.466 2.080 10 0 EEAEHO C[NH2+]CCCC(=O)N1CCC(N[C@@H](C)c2cccnc2Cl)CC1 ZINC000854233176 1292681461 /nfs/dbraw/zinc/68/14/61/1292681461.db2.gz ZRMRUNZGJLFOSM-ZDUSSCGKSA-N 1 3 338.883 2.376 10 0 EEAEHO Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Cl)n1 ZINC000855345653 1293183353 /nfs/dbraw/zinc/18/33/53/1293183353.db2.gz DZBIYLHASLFQOE-ZDUSSCGKSA-N 1 3 326.872 2.045 10 0 EEAEHO Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Cl)n1 ZINC000855345653 1293183355 /nfs/dbraw/zinc/18/33/55/1293183355.db2.gz DZBIYLHASLFQOE-ZDUSSCGKSA-N 1 3 326.872 2.045 10 0 EEAEHO CC(C)[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856605014 1293579515 /nfs/dbraw/zinc/57/95/15/1293579515.db2.gz VIXZGFURJLAONL-MOPGFXCFSA-N 1 3 335.492 2.392 10 0 EEAEHO CC(C)[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856605014 1293579520 /nfs/dbraw/zinc/57/95/20/1293579520.db2.gz VIXZGFURJLAONL-MOPGFXCFSA-N 1 3 335.492 2.392 10 0 EEAEHO CCCCC[N@H+](CCOC)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001277398024 1302851310 /nfs/dbraw/zinc/85/13/10/1302851310.db2.gz ATSCUJOMKCFYRJ-SFHVURJKSA-N 1 3 339.524 2.210 10 0 EEAEHO CCCCC[N@@H+](CCOC)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001277398024 1302851321 /nfs/dbraw/zinc/85/13/21/1302851321.db2.gz ATSCUJOMKCFYRJ-SFHVURJKSA-N 1 3 339.524 2.210 10 0 EEAEHO CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001277693595 1304197376 /nfs/dbraw/zinc/19/73/76/1304197376.db2.gz LYNZTLQAHMDGRT-YJBOKZPZSA-N 1 3 327.488 2.436 10 0 EEAEHO Cc1cccnc1CN[C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001278315730 1309358820 /nfs/dbraw/zinc/35/88/20/1309358820.db2.gz MMNYEVMLIDZRPV-DLBZAZTESA-N 1 3 332.492 2.201 10 0 EEAEHO C[C@@H]1C[C@H](NCc2cncc(F)c2)CN1C(=O)CCCC[NH+](C)C ZINC001278416462 1310167736 /nfs/dbraw/zinc/16/77/36/1310167736.db2.gz NFXGXTXSDFNBGB-PBHICJAKSA-N 1 3 336.455 2.032 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCOc2ccccc2C)C[C@@H]1C ZINC001278416620 1310168847 /nfs/dbraw/zinc/16/88/47/1310168847.db2.gz ORJNFDYFZDCLDZ-ZWKOTPCHSA-N 1 3 347.503 2.295 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C(C)C)C2)cc1 ZINC001278424758 1310206375 /nfs/dbraw/zinc/20/63/75/1310206375.db2.gz VSVCOHHZVAQQTF-ROUUACIJSA-N 1 3 347.503 2.293 10 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/nfs/dbraw/zinc/05/11/45/1323051145.db2.gz VHZKOBBIYTVUSM-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1cc2ccccc2o1 ZINC001265902351 1323471885 /nfs/dbraw/zinc/47/18/85/1323471885.db2.gz MSWVQAMNJBROMA-QGZVFWFLSA-N 1 3 329.444 2.465 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1cc2ccccc2o1 ZINC001265902351 1323471890 /nfs/dbraw/zinc/47/18/90/1323471890.db2.gz MSWVQAMNJBROMA-QGZVFWFLSA-N 1 3 329.444 2.465 10 0 EEAEHO CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001280758479 1324485695 /nfs/dbraw/zinc/48/56/95/1324485695.db2.gz AMUYYXUNDYDZDJ-MSOLQXFVSA-N 1 3 339.524 2.258 10 0 EEAEHO CCOCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001280758479 1324485696 /nfs/dbraw/zinc/48/56/96/1324485696.db2.gz AMUYYXUNDYDZDJ-MSOLQXFVSA-N 1 3 339.524 2.258 10 0 EEAEHO CC[N@H+](C)[C@@H](C(=O)NC[C@H](C)NCc1cc(C)no1)c1ccccc1 ZINC001491636038 1330192096 /nfs/dbraw/zinc/19/20/96/1330192096.db2.gz ARYFNDICFHUYKS-MAUKXSAKSA-N 1 3 344.459 2.270 10 0 EEAEHO CC[N@@H+](C)[C@@H](C(=O)NC[C@H](C)NCc1cc(C)no1)c1ccccc1 ZINC001491636038 1330192098 /nfs/dbraw/zinc/19/20/98/1330192098.db2.gz ARYFNDICFHUYKS-MAUKXSAKSA-N 1 3 344.459 2.270 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CCCc3ccccc3)C2)C1 ZINC001317338806 1332185269 /nfs/dbraw/zinc/18/52/69/1332185269.db2.gz PUSGDQFQLDAVJZ-AZUAARDMSA-N 1 3 343.515 2.399 10 0 EEAEHO CN(CCNCc1cc(F)cc(F)c1)C(=O)C12CCC[NH+]1CCC2 ZINC001317605206 1332321675 /nfs/dbraw/zinc/32/16/75/1332321675.db2.gz LVGWTMOSVFLYCW-UHFFFAOYSA-N 1 3 337.414 2.141 10 0 EEAEHO COCCC[NH2+][C@@H](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001317686805 1332373424 /nfs/dbraw/zinc/37/34/24/1332373424.db2.gz PCCHNCHENHQDPR-INIZCTEOSA-N 1 3 341.540 2.218 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCc1cccc(Cl)n1 ZINC001318571033 1332562202 /nfs/dbraw/zinc/56/22/02/1332562202.db2.gz UNDYUJRLKITBIE-XJKSGUPXSA-N 1 3 340.899 2.306 10 0 EEAEHO Cc1ncc(CNCC[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)o1 ZINC001318831849 1332606948 /nfs/dbraw/zinc/60/69/48/1332606948.db2.gz YMVAVXCJFTXQCD-RDJZCZTQSA-N 1 3 348.491 2.043 10 0 EEAEHO Cc1ncc(CNCC[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)o1 ZINC001318831849 1332606951 /nfs/dbraw/zinc/60/69/51/1332606951.db2.gz YMVAVXCJFTXQCD-RDJZCZTQSA-N 1 3 348.491 2.043 10 0 EEAEHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001319238064 1332669414 /nfs/dbraw/zinc/66/94/14/1332669414.db2.gz OBKZNPFOKUAKRH-CZUORRHYSA-N 1 3 340.899 2.163 10 0 EEAEHO CCc1nocc1CNCC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319789692 1332768207 /nfs/dbraw/zinc/76/82/07/1332768207.db2.gz AGPUTEBHRKKVJF-NVXWUHKLSA-N 1 3 348.491 2.050 10 0 EEAEHO CCc1nocc1CNCC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001319789692 1332768211 /nfs/dbraw/zinc/76/82/11/1332768211.db2.gz AGPUTEBHRKKVJF-NVXWUHKLSA-N 1 3 348.491 2.050 10 0 EEAEHO CCOCCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001319886606 1332792433 /nfs/dbraw/zinc/79/24/33/1332792433.db2.gz WNZUUFCNMSEOMR-GOSISDBHSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001319886606 1332792436 /nfs/dbraw/zinc/79/24/36/1332792436.db2.gz WNZUUFCNMSEOMR-GOSISDBHSA-N 1 3 339.524 2.068 10 0 EEAEHO CCN(CCNCc1cc(C)ccc1OC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320738489 1332943361 /nfs/dbraw/zinc/94/33/61/1332943361.db2.gz XBPJTEBHNQULHB-SJLPKXTDSA-N 1 3 347.503 2.282 10 0 EEAEHO CCN(CCNCc1cc(C)ccc1OC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001320738489 1332943366 /nfs/dbraw/zinc/94/33/66/1332943366.db2.gz XBPJTEBHNQULHB-SJLPKXTDSA-N 1 3 347.503 2.282 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCc2ccc(C)nc2C)CC[N@@H+]1C ZINC001320738637 1332943573 /nfs/dbraw/zinc/94/35/73/1332943573.db2.gz ZSKYRQTXVXSEHS-RBUKOAKNSA-N 1 3 346.519 2.367 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCc2ccc(C)nc2C)CC[N@H+]1C ZINC001320738637 1332943577 /nfs/dbraw/zinc/94/35/77/1332943577.db2.gz ZSKYRQTXVXSEHS-RBUKOAKNSA-N 1 3 346.519 2.367 10 0 EEAEHO CCc1ccc(C[NH2+]C/C=C\CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001321092135 1333017121 /nfs/dbraw/zinc/01/71/21/1333017121.db2.gz OJCMPBMBEJEMMZ-WAYWQWQTSA-N 1 3 329.488 2.495 10 0 EEAEHO Cc1cncc(CNC/C=C/CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)c1 ZINC001321284675 1333064477 /nfs/dbraw/zinc/06/44/77/1333064477.db2.gz HBNHWHFCEWUKPJ-KTBRJVSMSA-N 1 3 342.487 2.169 10 0 EEAEHO Cc1cncc(CNC/C=C/CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)c1 ZINC001321284675 1333064479 /nfs/dbraw/zinc/06/44/79/1333064479.db2.gz HBNHWHFCEWUKPJ-KTBRJVSMSA-N 1 3 342.487 2.169 10 0 EEAEHO Cc1cnc([C@H](C)[NH2+]CCCN(C)C(=O)CN2CCC(C)CC2)cn1 ZINC001322756927 1333320885 /nfs/dbraw/zinc/32/08/85/1333320885.db2.gz PTWLXTNHVLHYQN-KRWDZBQOSA-N 1 3 347.507 2.016 10 0 EEAEHO CCc1ccc(CC[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)cc1 ZINC001324274134 1333647558 /nfs/dbraw/zinc/64/75/58/1333647558.db2.gz RZUNRKBWHFAQLE-FQEVSTJZSA-N 1 3 343.515 2.468 10 0 EEAEHO CCCCC[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001325162064 1333841131 /nfs/dbraw/zinc/84/11/31/1333841131.db2.gz RJJSMINRRMTCHV-HXUWFJFHSA-N 1 3 347.503 2.105 10 0 EEAEHO CCCCC[N@H+]1CC[C@@](O)(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001325162064 1333841134 /nfs/dbraw/zinc/84/11/34/1333841134.db2.gz RJJSMINRRMTCHV-HXUWFJFHSA-N 1 3 347.503 2.105 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001326365915 1334076978 /nfs/dbraw/zinc/07/69/78/1334076978.db2.gz WPRPKRSEPZWQEE-OLZOCXBDSA-N 1 3 336.307 2.474 10 0 EEAEHO CC(C)COCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001328733918 1334510242 /nfs/dbraw/zinc/51/02/42/1334510242.db2.gz SGORDLNBQFOMKO-KRWDZBQOSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)COCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001328733918 1334510244 /nfs/dbraw/zinc/51/02/44/1334510244.db2.gz SGORDLNBQFOMKO-KRWDZBQOSA-N 1 3 339.524 2.066 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@H](CNCc1cccc(Cl)n1)C(C)(C)C ZINC001332857252 1335919788 /nfs/dbraw/zinc/91/97/88/1335919788.db2.gz LPSJBTLYQXGBBK-CQSZACIVSA-N 1 3 340.899 2.307 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCC1=CC[N@H+](CCCCOC)CC1 ZINC001333457756 1336051003 /nfs/dbraw/zinc/05/10/03/1336051003.db2.gz MMLMBMXLPXDJQR-SFHVURJKSA-N 1 3 337.508 2.036 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCC1=CC[N@@H+](CCCCOC)CC1 ZINC001333457756 1336051006 /nfs/dbraw/zinc/05/10/06/1336051006.db2.gz MMLMBMXLPXDJQR-SFHVURJKSA-N 1 3 337.508 2.036 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@@H+]2CCCc2ccccc2)C1 ZINC001436322239 1342026711 /nfs/dbraw/zinc/02/67/11/1342026711.db2.gz NDDWBOZXNPOFLF-AZUAARDMSA-N 1 3 343.515 2.494 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@H+]2CCCc2ccccc2)C1 ZINC001436322239 1342026713 /nfs/dbraw/zinc/02/67/13/1342026713.db2.gz NDDWBOZXNPOFLF-AZUAARDMSA-N 1 3 343.515 2.494 10 0 EEAEHO CCC1([NH2+]Cc2cccnc2)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001502496050 1342198355 /nfs/dbraw/zinc/19/83/55/1342198355.db2.gz DYZVZGUFTCTMDH-UHFFFAOYSA-N 1 3 344.503 2.427 10 0 EEAEHO COCCCC[NH2+]C1(C)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001673989021 1356767810 /nfs/dbraw/zinc/76/78/10/1356767810.db2.gz LVUNXKDHMKKTBQ-UHFFFAOYSA-N 1 3 339.524 2.116 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCc2cccs2)C1)N(C)C ZINC001566905214 1342649579 /nfs/dbraw/zinc/64/95/79/1342649579.db2.gz OKXZDPYYJXBKNY-RDJZCZTQSA-N 1 3 337.533 2.459 10 0 EEAEHO Cc1nc(CNCC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)sc1C ZINC001569999439 1342994334 /nfs/dbraw/zinc/99/43/34/1342994334.db2.gz AAGCLHXERBKGGF-HNNXBMFYSA-N 1 3 338.521 2.040 10 0 EEAEHO Cc1ccc(CN2CCCN(C(=O)N[C@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1 ZINC001650042704 1353697531 /nfs/dbraw/zinc/69/75/31/1353697531.db2.gz VTHZROATSSTIFS-MJGOQNOKSA-N 1 3 344.503 2.305 10 0 EEAEHO Cc1ccc(CN2CCCN(C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1 ZINC001650042704 1353697534 /nfs/dbraw/zinc/69/75/34/1353697534.db2.gz VTHZROATSSTIFS-MJGOQNOKSA-N 1 3 344.503 2.305 10 0 EEAEHO CC[C@H](F)CN(CC)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001660546109 1354486743 /nfs/dbraw/zinc/48/67/43/1354486743.db2.gz SJRHQXNJTOUKNT-INIZCTEOSA-N 1 3 327.488 2.439 10 0 EEAEHO CCN(CCCNC(=O)CC1CC[NH+](C)CC1)[C@H](C)c1cnccn1 ZINC001660599343 1354498519 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1089841698 /nfs/dbraw/zinc/84/16/98/1089841698.db2.gz NTHWSULCMXASKU-NVXWUHKLSA-N 1 3 339.524 2.255 10 0 EEAEHO C[C@@H]1CC[C@H](CN(C)CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)O1 ZINC001437484246 1089841715 /nfs/dbraw/zinc/84/17/15/1089841715.db2.gz NTHWSULCMXASKU-NVXWUHKLSA-N 1 3 339.524 2.255 10 0 EEAEHO CC(C)OCCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001438234165 1090714824 /nfs/dbraw/zinc/71/48/24/1090714824.db2.gz URYFJWBDACPJQG-QZTJIDSGSA-N 1 3 339.524 2.207 10 0 EEAEHO CC(C)OCCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001438234165 1090714827 /nfs/dbraw/zinc/71/48/27/1090714827.db2.gz URYFJWBDACPJQG-QZTJIDSGSA-N 1 3 339.524 2.207 10 0 EEAEHO Cc1cccnc1C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001438445195 1090948668 /nfs/dbraw/zinc/94/86/68/1090948668.db2.gz RXKUJHRXFKEQMN-QAQDUYKDSA-N 1 3 332.492 2.247 10 0 EEAEHO Cc1ccc(F)c(C[NH2+]C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C2CC2)c1 ZINC001445982847 1091947085 /nfs/dbraw/zinc/94/70/85/1091947085.db2.gz 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Cc1ncccc1C[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001446346525 1092559142 /nfs/dbraw/zinc/55/91/42/1092559142.db2.gz VHSMGIJREMTQQZ-FQEVSTJZSA-N 1 3 344.503 2.155 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2nccs2)CC1 ZINC001440222466 1093301216 /nfs/dbraw/zinc/30/12/16/1093301216.db2.gz KPDSDNDYNPBNMJ-SHTZXODSSA-N 1 3 338.521 2.248 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1CC[C@]2(C1)CN(C[C@@H](C)CC)CCO2 ZINC001448399417 1093402749 /nfs/dbraw/zinc/40/27/49/1093402749.db2.gz WDDFGQZKLFSXMF-PKOBYXMFSA-N 1 3 339.524 2.068 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1CC[C@]2(C1)CN(C[C@@H](C)CC)CCO2 ZINC001448399417 1093402754 /nfs/dbraw/zinc/40/27/54/1093402754.db2.gz WDDFGQZKLFSXMF-PKOBYXMFSA-N 1 3 339.524 2.068 10 0 EEAEHO CC[C@H](F)CN1C[C@@H]2[C@@H](CNC(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001448447906 1093458448 /nfs/dbraw/zinc/45/84/48/1093458448.db2.gz KXNZDBVUBKHWNC-XLAORIBOSA-N 1 3 339.499 2.295 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2F)C1 ZINC001448513220 1093539683 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/nfs/dbraw/zinc/20/56/14/152205614.db2.gz IERACQKRLQIRRA-OTWHNJEPSA-N 1 3 348.535 2.400 10 0 EEAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@H](N3CC=CC3)C2)C1 ZINC000173895245 152205616 /nfs/dbraw/zinc/20/56/16/152205616.db2.gz IERACQKRLQIRRA-OTWHNJEPSA-N 1 3 348.535 2.400 10 0 EEAEHO CN1CCNC[C@@H]1c1noc(-c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000263146680 152387456 /nfs/dbraw/zinc/38/74/56/152387456.db2.gz CUHMXQJZLBYSLY-QGZVFWFLSA-N 1 3 341.459 2.299 10 0 EEAEHO CC(C)N(C(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)C(C)C ZINC000105862414 159309586 /nfs/dbraw/zinc/30/95/86/159309586.db2.gz IXYBOABKZNNWFZ-IAGOWNOFSA-N 1 3 341.540 2.045 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000245959304 160258849 /nfs/dbraw/zinc/25/88/49/160258849.db2.gz XVOFBQZEOFFMIA-ZHALLVOQSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000245959304 160258850 /nfs/dbraw/zinc/25/88/50/160258850.db2.gz XVOFBQZEOFFMIA-ZHALLVOQSA-N 1 3 344.503 2.385 10 0 EEAEHO CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000346520356 161379000 /nfs/dbraw/zinc/37/90/00/161379000.db2.gz BKQCUYHEPDYWQG-SJORKVTESA-N 1 3 339.549 2.383 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374439988 167043817 /nfs/dbraw/zinc/04/38/17/167043817.db2.gz WEHFQIRIYBDWOQ-SFHVURJKSA-N 1 3 345.487 2.231 10 0 EEAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000375594646 167162926 /nfs/dbraw/zinc/16/29/26/167162926.db2.gz BIIUGRGBEBNLOT-HXUWFJFHSA-N 1 3 330.520 2.362 10 0 EEAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000375594646 167162928 /nfs/dbraw/zinc/16/29/28/167162928.db2.gz BIIUGRGBEBNLOT-HXUWFJFHSA-N 1 3 330.520 2.362 10 0 EEAEHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCCc3n[nH]cc32)C1 ZINC000375898704 275058886 /nfs/dbraw/zinc/05/88/86/275058886.db2.gz WKJGIAHYUUPMPS-FUHWJXTLSA-N 1 3 326.444 2.144 10 0 EEAEHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCCc3n[nH]cc32)C1 ZINC000375898704 275058887 /nfs/dbraw/zinc/05/88/87/275058887.db2.gz WKJGIAHYUUPMPS-FUHWJXTLSA-N 1 3 326.444 2.144 10 0 EEAEHO c1c2c(cc3c1OCCC[C@H]3NCCN1CC[NH2+]CC1)CCCC2 ZINC000423201167 275063075 /nfs/dbraw/zinc/06/30/75/275063075.db2.gz HUZPBJXCEKPDBI-LJQANCHMSA-N 1 3 329.488 2.274 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000291721756 275333670 /nfs/dbraw/zinc/33/36/70/275333670.db2.gz RBAHLIQYFBFVFA-APWZRJJASA-N 1 3 329.488 2.355 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)N(C)C)cc1 ZINC000416850232 313335752 /nfs/dbraw/zinc/33/57/52/313335752.db2.gz ZFSKEEJHXIJBCK-QRVBRYPASA-N 1 3 344.503 2.245 10 0 EEAEHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000417181576 313442661 /nfs/dbraw/zinc/44/26/61/313442661.db2.gz IDLSFHOJQGGTCL-RYQLBKOJSA-N 1 3 332.492 2.071 10 0 EEAEHO C[C@H]([NH3+])[C@H](C)NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000418709846 313886067 /nfs/dbraw/zinc/88/60/67/313886067.db2.gz VEQHOMINZBPFMJ-STQMWFEESA-N 1 3 326.872 2.149 10 0 EEAEHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000441304875 315180105 /nfs/dbraw/zinc/18/01/05/315180105.db2.gz SPKZKPIKNIUXMS-DOTOQJQBSA-N 1 3 336.524 2.375 10 0 EEAEHO CC(C)[C@@H](CC(F)(F)F)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000526103724 317119817 /nfs/dbraw/zinc/11/98/17/317119817.db2.gz JWBLZRPJZFMFOU-CYBMUJFWSA-N 1 3 340.434 2.098 10 0 EEAEHO C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000527826787 317271543 /nfs/dbraw/zinc/27/15/43/317271543.db2.gz NREIHBQKLNSVJI-HTWSVDAQSA-N 1 3 336.524 2.423 10 0 EEAEHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000567337118 319370588 /nfs/dbraw/zinc/37/05/88/319370588.db2.gz VTPFKGGMFCDGDD-FUHWJXTLSA-N 1 3 344.503 2.338 10 0 EEAEHO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3CCC[C@@H](N)C3)C2)c1 ZINC000569500892 319582853 /nfs/dbraw/zinc/58/28/53/319582853.db2.gz BRGGRYXSABNZQC-OAGGEKHMSA-N 1 3 333.476 2.390 10 0 EEAEHO C[NH+]1CCC(CNc2ncnc3c2CCC3)(N2CCCCC2)CC1 ZINC000608091470 449748706 /nfs/dbraw/zinc/74/87/06/449748706.db2.gz OBVBBTMBASYJPV-UHFFFAOYSA-N 1 3 329.492 2.328 10 0 EEAEHO CC1=CCN(CCNC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000355070182 465221493 /nfs/dbraw/zinc/22/14/93/465221493.db2.gz CQTMCTHODGYNPJ-SFHVURJKSA-N 1 3 348.466 2.380 10 0 EEAEHO CN(C)[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000170827076 463714611 /nfs/dbraw/zinc/71/46/11/463714611.db2.gz RVNCUTDLWHYQSY-SFHVURJKSA-N 1 3 330.476 2.128 10 0 EEAEHO CN(CCCN(C)C(=O)CCN(C)c1cc[nH+]cc1)Cc1ccco1 ZINC000553743729 468377502 /nfs/dbraw/zinc/37/75/02/468377502.db2.gz TYOIEJOCWHWHKP-UHFFFAOYSA-N 1 3 344.459 2.481 10 0 EEAEHO CN(C)CCOc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000261620327 463804421 /nfs/dbraw/zinc/80/44/21/463804421.db2.gz BZXADRYKJOPCDC-QGTPRVQTSA-N 1 3 331.460 2.486 10 0 EEAEHO COCCCN(C)CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268928334 463813363 /nfs/dbraw/zinc/81/33/63/463813363.db2.gz WRHFUYUIZFAJKJ-QUCCMNQESA-N 1 3 333.520 2.455 10 0 EEAEHO CN(C)C[C@@H]1CCCN1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000263917101 464238207 /nfs/dbraw/zinc/23/82/07/464238207.db2.gz NDYWUKULDWRREM-IBGZPJMESA-N 1 3 329.488 2.451 10 0 EEAEHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000292541201 464266994 /nfs/dbraw/zinc/26/69/94/464266994.db2.gz QEJRFIJUMUJNSP-KBAYOESNSA-N 1 3 332.492 2.460 10 0 EEAEHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000292541201 464266998 /nfs/dbraw/zinc/26/69/98/464266998.db2.gz QEJRFIJUMUJNSP-KBAYOESNSA-N 1 3 332.492 2.460 10 0 EEAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[C@H](N3CC=CC3)C2)C1 ZINC000173852060 464322287 /nfs/dbraw/zinc/32/22/87/464322287.db2.gz JANZPXLQEUHDRE-KURKYZTESA-N 1 3 334.508 2.010 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000249691732 464904070 /nfs/dbraw/zinc/90/40/70/464904070.db2.gz UCYCUCFJHKSCDA-IEBWSBKVSA-N 1 3 346.519 2.333 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000249691732 464904072 /nfs/dbraw/zinc/90/40/72/464904072.db2.gz UCYCUCFJHKSCDA-IEBWSBKVSA-N 1 3 346.519 2.333 10 0 EEAEHO CN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CN2CCC1CC2 ZINC000347945249 465327537 /nfs/dbraw/zinc/32/75/37/465327537.db2.gz JOLXWOWFFFBJEN-WOJBJXKFSA-N 1 3 341.499 2.451 10 0 EEAEHO CN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CN2CCC1CC2 ZINC000347945249 465327541 /nfs/dbraw/zinc/32/75/41/465327541.db2.gz JOLXWOWFFFBJEN-WOJBJXKFSA-N 1 3 341.499 2.451 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000580079734 468463301 /nfs/dbraw/zinc/46/33/01/468463301.db2.gz ACWVDMNSJWMBFU-OCCSQVGLSA-N 1 3 335.414 2.379 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000580079734 468463305 /nfs/dbraw/zinc/46/33/05/468463305.db2.gz ACWVDMNSJWMBFU-OCCSQVGLSA-N 1 3 335.414 2.379 10 0 EEAEHO C[C@H](NCC1(O)CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000361890741 466384657 /nfs/dbraw/zinc/38/46/57/466384657.db2.gz UWTGPOFWSGINIO-ZDUSSCGKSA-N 1 3 349.866 2.028 10 0 EEAEHO C[N@@H+]1CC[C@H](NCc2ccccc2Cn2cncn2)[C@H]2CCC[C@@H]21 ZINC000367618916 466451764 /nfs/dbraw/zinc/45/17/64/466451764.db2.gz OYNGGIGUUUIVSB-QYZOEREBSA-N 1 3 325.460 2.289 10 0 EEAEHO C[N@H+]1CC[C@H](NCc2ccccc2Cn2cncn2)[C@H]2CCC[C@@H]21 ZINC000367618916 466451775 /nfs/dbraw/zinc/45/17/75/466451775.db2.gz OYNGGIGUUUIVSB-QYZOEREBSA-N 1 3 325.460 2.289 10 0 EEAEHO CCNC(=O)COc1cccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367626292 466459169 /nfs/dbraw/zinc/45/91/69/466459169.db2.gz NUXJFSLCHFYUQH-QRVBRYPASA-N 1 3 345.487 2.164 10 0 EEAEHO CCNC(=O)COc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367626292 466459182 /nfs/dbraw/zinc/45/91/82/466459182.db2.gz NUXJFSLCHFYUQH-QRVBRYPASA-N 1 3 345.487 2.164 10 0 EEAEHO CCNC(=O)COc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)c1 ZINC000367626292 466459190 /nfs/dbraw/zinc/45/91/90/466459190.db2.gz NUXJFSLCHFYUQH-QRVBRYPASA-N 1 3 345.487 2.164 10 0 EEAEHO CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000358107509 466462685 /nfs/dbraw/zinc/46/26/85/466462685.db2.gz UAQOYGXDVLUQNL-MRXNPFEDSA-N 1 3 336.524 2.400 10 0 EEAEHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000341105975 466589090 /nfs/dbraw/zinc/58/90/90/466589090.db2.gz OSUYEIOXFRMXQE-MSOLQXFVSA-N 1 3 334.508 2.297 10 0 EEAEHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000341105975 466589097 /nfs/dbraw/zinc/58/90/97/466589097.db2.gz OSUYEIOXFRMXQE-MSOLQXFVSA-N 1 3 334.508 2.297 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)[C@H]1c1ccccc1 ZINC000417951511 466999662 /nfs/dbraw/zinc/99/96/62/466999662.db2.gz WZPZVBHLSSCPCJ-ZWKOTPCHSA-N 1 3 342.487 2.217 10 0 EEAEHO C[C@@H]1CC2(CN1CC(=O)N1CCC[C@H](C(F)(F)F)C1)CC[NH2+]CC2 ZINC000424291378 467023520 /nfs/dbraw/zinc/02/35/20/467023520.db2.gz NTABCXQVKVANJJ-KGLIPLIRSA-N 1 3 347.425 2.251 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000418611241 467135743 /nfs/dbraw/zinc/13/57/43/467135743.db2.gz HCHKQKVVJSAQGL-ZHALLVOQSA-N 1 3 344.503 2.290 10 0 EEAEHO Cc1nn(C)cc1[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397512159 467441811 /nfs/dbraw/zinc/44/18/11/467441811.db2.gz NTWCZIHTWXRDJP-INIZCTEOSA-N 1 3 342.487 2.406 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000398087026 467446823 /nfs/dbraw/zinc/44/68/23/467446823.db2.gz UPXIWPXLUDAGKC-NZSAHSFTSA-N 1 3 329.488 2.403 10 0 EEAEHO COCCOc1cccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530248565 467968358 /nfs/dbraw/zinc/96/83/58/467968358.db2.gz MPYFYQDEELDULX-HXUWFJFHSA-N 1 3 348.487 2.302 10 0 EEAEHO CN(C)C[C@](C)(O)C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000567851994 468224038 /nfs/dbraw/zinc/22/40/38/468224038.db2.gz FBHOBPYZBYOKQD-RBUKOAKNSA-N 1 3 331.504 2.086 10 0 EEAEHO CN1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000597406782 468547017 /nfs/dbraw/zinc/54/70/17/468547017.db2.gz VEWDILIXDFNAAU-ROUUACIJSA-N 1 3 336.524 2.425 10 0 EEAEHO CN1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000597406782 468547022 /nfs/dbraw/zinc/54/70/22/468547022.db2.gz VEWDILIXDFNAAU-ROUUACIJSA-N 1 3 336.524 2.425 10 0 EEAEHO CC[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)N1CCc2ccccc2C1 ZINC000561125641 468865738 /nfs/dbraw/zinc/86/57/38/468865738.db2.gz NSYCUKQAURAWGM-LZQZEXGQSA-N 1 3 344.503 2.121 10 0 EEAEHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[NH2+][C@H]3C)c(C)c2)CC1 ZINC000625834022 469403524 /nfs/dbraw/zinc/40/35/24/469403524.db2.gz GBFTWESTBPFYCA-MAUKXSAKSA-N 1 3 345.491 2.009 10 0 EEAEHO Cc1ccc(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c(OCCN(C)C)c1 ZINC000625862923 469415137 /nfs/dbraw/zinc/41/51/37/469415137.db2.gz WPZFFKOEWLKFDD-HUUCEWRRSA-N 1 3 334.464 2.197 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@H]2CCCN(C)C2)C1 ZINC000603758191 469427749 /nfs/dbraw/zinc/42/77/49/469427749.db2.gz GXUOATLXUBIHML-KURKYZTESA-N 1 3 336.524 2.377 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@H]2CCCN(C)C2)C1 ZINC000603758191 469427751 /nfs/dbraw/zinc/42/77/51/469427751.db2.gz GXUOATLXUBIHML-KURKYZTESA-N 1 3 336.524 2.377 10 0 EEAEHO CN(C)CCN(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625969540 469452460 /nfs/dbraw/zinc/45/24/60/469452460.db2.gz IWRJQJKLTBFAMH-RBUKOAKNSA-N 1 3 329.488 2.165 10 0 EEAEHO CN(C)CCN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625969540 469452463 /nfs/dbraw/zinc/45/24/63/469452463.db2.gz IWRJQJKLTBFAMH-RBUKOAKNSA-N 1 3 329.488 2.165 10 0 EEAEHO CN1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000604789367 469513152 /nfs/dbraw/zinc/51/31/52/469513152.db2.gz YPEGJEJLBGOHAU-AEFFLSMTSA-N 1 3 333.451 2.248 10 0 EEAEHO CN1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000604789367 469513155 /nfs/dbraw/zinc/51/31/55/469513155.db2.gz YPEGJEJLBGOHAU-AEFFLSMTSA-N 1 3 333.451 2.248 10 0 EEAEHO CC[C@H](C(=O)N1CCC(CC)(N2CCOCC2)CC1)[NH+](CC)CC ZINC000629418111 469536544 /nfs/dbraw/zinc/53/65/44/469536544.db2.gz NPHFPUQAEVRPGI-QGZVFWFLSA-N 1 3 339.524 2.210 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(OC(F)F)cc1 ZINC000617503683 469701656 /nfs/dbraw/zinc/70/16/56/469701656.db2.gz UMBUJMGXNRPUKP-ZDUSSCGKSA-N 1 3 343.418 2.290 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(OC(F)F)cc1 ZINC000617503683 469701658 /nfs/dbraw/zinc/70/16/58/469701658.db2.gz UMBUJMGXNRPUKP-ZDUSSCGKSA-N 1 3 343.418 2.290 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2ccncc2s1 ZINC000617503534 469702183 /nfs/dbraw/zinc/70/21/83/469702183.db2.gz NRNXMQKWCCYQEX-ZDUSSCGKSA-N 1 3 334.489 2.298 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2ccncc2s1 ZINC000617503534 469702187 /nfs/dbraw/zinc/70/21/87/469702187.db2.gz NRNXMQKWCCYQEX-ZDUSSCGKSA-N 1 3 334.489 2.298 10 0 EEAEHO CCCN1CC[C@H](NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000619900051 469707011 /nfs/dbraw/zinc/70/70/11/469707011.db2.gz RLBWALOZHJPAGS-KRWDZBQOSA-N 1 3 330.476 2.207 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)NC2CCN(Cc3ccccc3)CC2)C[NH2+]1 ZINC000626917644 469753985 /nfs/dbraw/zinc/75/39/85/469753985.db2.gz DQOPOOWSSPPRKM-QAPCUYQASA-N 1 3 330.476 2.091 10 0 EEAEHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000626979729 469775846 /nfs/dbraw/zinc/77/58/46/469775846.db2.gz JAIBYVSKHMBHBE-RLFYNMQTSA-N 1 3 330.476 2.262 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000626993167 469781546 /nfs/dbraw/zinc/78/15/46/469781546.db2.gz CQVGJJYORAUMFS-XGXHKWSGSA-N 1 3 344.503 2.337 10 0 EEAEHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccco1 ZINC000627034347 469797371 /nfs/dbraw/zinc/79/73/71/469797371.db2.gz FZDICMIQGHFAOS-DZKIICNBSA-N 1 3 334.464 2.293 10 0 EEAEHO Cn1nc2c(c1CNCC1CC[NH+](C3CCOCC3)CC1)CCCC2 ZINC000631172771 470086354 /nfs/dbraw/zinc/08/63/54/470086354.db2.gz RLUUYRMOOBWBPV-UHFFFAOYSA-N 1 3 346.519 2.280 10 0 EEAEHO CN(Cc1ccccc1)C[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000644577867 470986211 /nfs/dbraw/zinc/98/62/11/470986211.db2.gz NCHAHOOYJBFXEA-RAFMOHDBSA-N 1 3 331.504 2.084 10 0 EEAEHO CNC(=O)[C@H](C[NH2+][C@H]1CCC[C@H]1N)Cc1ccc(C(F)(F)F)cc1 ZINC000647804099 470988695 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ZINC000924963875 682036812 /nfs/dbraw/zinc/03/68/12/682036812.db2.gz HDWHNXIPMQQOKL-SJLPKXTDSA-N 1 3 330.476 2.100 10 0 EEAEHO CN(C)Cc1ccc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)cc1Cl ZINC000897626555 691704279 /nfs/dbraw/zinc/70/42/79/691704279.db2.gz RHGSQNOBBZWAJE-HNNXBMFYSA-N 1 3 337.851 2.061 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCN1C ZINC000925324587 692205026 /nfs/dbraw/zinc/20/50/26/692205026.db2.gz VRECROVXZIXYOD-KURKYZTESA-N 1 3 336.524 2.377 10 0 EEAEHO CN(C)Cc1cccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000905296038 694589863 /nfs/dbraw/zinc/58/98/63/694589863.db2.gz MBUCPBVRKHCZCR-UONOGXRCSA-N 1 3 344.381 2.492 10 0 EEAEHO Cc1ccc(C)c(OCC[NH2+]CCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001691476543 1178911513 /nfs/dbraw/zinc/91/15/13/1178911513.db2.gz LPJMIRCWRXQRET-QGZVFWFLSA-N 1 3 347.503 2.072 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[N@H+](C)CCc3cccs3)C2)C1 ZINC001481497089 1181566422 /nfs/dbraw/zinc/56/64/22/1181566422.db2.gz HWWXPTYIZFXNBN-DLBZAZTESA-N 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ZINC001481930592 1182977280 /nfs/dbraw/zinc/97/72/80/1182977280.db2.gz HYPYFLCTPKTMBW-NSHGMRRFSA-N 1 3 344.503 2.186 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N[C@@](C)(CNCc2ccccn2)C2CC2)CC[N@H+]1C ZINC001481930592 1182977285 /nfs/dbraw/zinc/97/72/85/1182977285.db2.gz HYPYFLCTPKTMBW-NSHGMRRFSA-N 1 3 344.503 2.186 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CCC(F)(F)F)C1)N(C)C ZINC001481984570 1183086861 /nfs/dbraw/zinc/08/68/61/1183086861.db2.gz RCFKSTHXXNJBOI-KBPBESRZSA-N 1 3 337.430 2.497 10 0 EEAEHO CC(C)[C@H](C(=O)NC/C=C\C[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001268587289 1183384481 /nfs/dbraw/zinc/38/44/81/1183384481.db2.gz IEIRKIBVTIZSOK-JBZXTQMFSA-N 1 3 331.451 2.270 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cncs1 ZINC001482149570 1183467799 /nfs/dbraw/zinc/46/77/99/1183467799.db2.gz SHCBKLIYWXRCEV-GOEBONIOSA-N 1 3 338.521 2.248 10 0 EEAEHO Cc1cccc(CCC[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001268782852 1183701069 /nfs/dbraw/zinc/70/10/69/1183701069.db2.gz FSWVVIHMLKJUBV-IBGZPJMESA-N 1 3 331.504 2.460 10 0 EEAEHO CCc1nocc1C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001269712330 1184544374 /nfs/dbraw/zinc/54/43/74/1184544374.db2.gz PBBQJDFGDRSBRJ-CRAIPNDOSA-N 1 3 348.491 2.050 10 0 EEAEHO Cc1ncoc1CNCC[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001269759497 1184596441 /nfs/dbraw/zinc/59/64/41/1184596441.db2.gz CHKAJPDMYWBPRQ-MRXNPFEDSA-N 1 3 336.480 2.043 10 0 EEAEHO Cc1noc(C)c1C[NH2+]CC[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001269797854 1184626472 /nfs/dbraw/zinc/62/64/72/1184626472.db2.gz DFBZVYIGIZYYOG-KRWDZBQOSA-N 1 3 348.491 2.106 10 0 EEAEHO CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2conc2C)CC1)N(C)C ZINC001269877893 1184688815 /nfs/dbraw/zinc/68/88/15/1184688815.db2.gz VQHSYGKQJAJRMA-QGZVFWFLSA-N 1 3 336.480 2.042 10 0 EEAEHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccnc(Cl)c1)N(C)C ZINC001482331737 1185417424 /nfs/dbraw/zinc/41/74/24/1185417424.db2.gz UBSOUTJPMGVBAN-OCCSQVGLSA-N 1 3 326.872 2.012 10 0 EEAEHO Cc1ncc(CNCCN(C)C(=O)c2ccc(C[NH+](C)C)cc2)s1 ZINC001691516595 1185618782 /nfs/dbraw/zinc/61/87/82/1185618782.db2.gz KDLFIRUNQHRTBG-UHFFFAOYSA-N 1 3 346.500 2.375 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccns1 ZINC001482461341 1185926783 /nfs/dbraw/zinc/92/67/83/1185926783.db2.gz HNBFNISOUGEPFV-HNNXBMFYSA-N 1 3 338.521 2.346 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)NC/C=C/CNCc2ccc(F)c(Cl)c2)C1 ZINC001483092924 1188461059 /nfs/dbraw/zinc/46/10/59/1188461059.db2.gz LAWFOCRATUUSAS-HSWBROFVSA-N 1 3 339.842 2.193 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)NC/C=C/CNCc2ccc(F)c(Cl)c2)C1 ZINC001483092924 1188461060 /nfs/dbraw/zinc/46/10/60/1188461060.db2.gz LAWFOCRATUUSAS-HSWBROFVSA-N 1 3 339.842 2.193 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCNCc1nc(C)cs1 ZINC001272824098 1193563411 /nfs/dbraw/zinc/56/34/11/1193563411.db2.gz UTLNVUJHNBHJER-DZGCQCFKSA-N 1 3 338.521 2.310 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCNCc1nc(C)cs1 ZINC001272824098 1193563413 /nfs/dbraw/zinc/56/34/13/1193563413.db2.gz UTLNVUJHNBHJER-DZGCQCFKSA-N 1 3 338.521 2.310 10 0 EEAEHO Cc1ccc(OCC[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001483226594 1189469662 /nfs/dbraw/zinc/46/96/62/1189469662.db2.gz BBNPUALNXBIPJN-HKUYNNGSSA-N 1 3 347.503 2.341 10 0 EEAEHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001485881527 1193628246 /nfs/dbraw/zinc/62/82/46/1193628246.db2.gz HUNAIHFZOQLKQV-KBPBESRZSA-N 1 3 331.451 2.343 10 0 EEAEHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(Cl)nc1)N(C)C ZINC001485892366 1193631768 /nfs/dbraw/zinc/63/17/68/1193631768.db2.gz PBIJSSBHYANEKW-TZMCWYRMSA-N 1 3 326.872 2.012 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CC(F)(F)C1 ZINC001409582167 1190069033 /nfs/dbraw/zinc/06/90/33/1190069033.db2.gz WPDKVCAXIWSFCM-UKRRQHHQSA-N 1 3 331.451 2.343 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CC(F)(F)C1 ZINC001409582167 1190069037 /nfs/dbraw/zinc/06/90/37/1190069037.db2.gz WPDKVCAXIWSFCM-UKRRQHHQSA-N 1 3 331.451 2.343 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)CCCNCc1c(F)cccc1F)[NH+](C)C ZINC001483470303 1190493059 /nfs/dbraw/zinc/49/30/59/1190493059.db2.gz BXPCTSJBVGACHA-KRWDZBQOSA-N 1 3 341.446 2.489 10 0 EEAEHO CC(C)c1cccc(CN[C@@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)n1 ZINC001486120807 1193687613 /nfs/dbraw/zinc/68/76/13/1193687613.db2.gz FHDKBLNNKAYUCZ-NVXWUHKLSA-N 1 3 332.492 2.236 10 0 EEAEHO Cc1noc(C)c1C[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001272456337 1190830874 /nfs/dbraw/zinc/83/08/74/1190830874.db2.gz FFXJIRYNMARGQE-MRXNPFEDSA-N 1 3 348.491 2.104 10 0 EEAEHO CC[C@@H](F)CNC1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001483740940 1190890366 /nfs/dbraw/zinc/89/03/66/1190890366.db2.gz XKCZLENTNKVANL-ZBFHGGJFSA-N 1 3 325.472 2.380 10 0 EEAEHO CC[C@@H](F)CNC1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001483740940 1190890369 /nfs/dbraw/zinc/89/03/69/1190890369.db2.gz XKCZLENTNKVANL-ZBFHGGJFSA-N 1 3 325.472 2.380 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CCCOC)C1 ZINC001483800751 1191042447 /nfs/dbraw/zinc/04/24/47/1191042447.db2.gz BONVSDDOKFANOH-QZTJIDSGSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](CCCOC)C1 ZINC001483800751 1191042449 /nfs/dbraw/zinc/04/24/49/1191042449.db2.gz BONVSDDOKFANOH-QZTJIDSGSA-N 1 3 339.524 2.068 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@]2(CC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC001483849288 1191084985 /nfs/dbraw/zinc/08/49/85/1191084985.db2.gz ZTTUFPXVLFPTBU-KRWDZBQOSA-N 1 3 343.462 2.296 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@]2(CC[N@@H+](CC3CC(F)(F)C3)C2)C1 ZINC001483849288 1191084987 /nfs/dbraw/zinc/08/49/87/1191084987.db2.gz ZTTUFPXVLFPTBU-KRWDZBQOSA-N 1 3 343.462 2.296 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCOC1CCC1 ZINC001483959590 1191128641 /nfs/dbraw/zinc/12/86/41/1191128641.db2.gz YWLIGLNDRSUWCX-FUHWJXTLSA-N 1 3 337.508 2.011 10 0 EEAEHO CN(CC(=O)NCC1([NH2+]CCC2CC2)CCOCC1)CC(C)(C)C ZINC001484188270 1191265111 /nfs/dbraw/zinc/26/51/11/1191265111.db2.gz RQWQYNRKRKFGLT-UHFFFAOYSA-N 1 3 339.524 2.019 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2cnoc2C)C1 ZINC001484551560 1191410520 /nfs/dbraw/zinc/41/05/20/1191410520.db2.gz LPLIYXCWNCMTNM-WMZOPIPTSA-N 1 3 348.491 2.186 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)[C@@H]2C1 ZINC001486167125 1193709623 /nfs/dbraw/zinc/70/96/23/1193709623.db2.gz PPMYMNDYEHTBMH-XPJRORGTSA-N 1 3 327.900 2.297 10 0 EEAEHO Cc1ncsc1CN[C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001486241050 1193767478 /nfs/dbraw/zinc/76/74/78/1193767478.db2.gz SHNRGMBWLUZXMT-HNNXBMFYSA-N 1 3 338.521 2.120 10 0 EEAEHO CC[NH+](CC)CCN(CCOC)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810496043 1199532485 /nfs/dbraw/zinc/53/24/85/1199532485.db2.gz SYZAOMZYMHWQSN-SFHVURJKSA-N 1 3 345.503 2.016 10 0 EEAEHO Cc1cncc(CNC/C=C\CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001274154622 1204412661 /nfs/dbraw/zinc/41/26/61/1204412661.db2.gz TUOQAAFXGWXHFP-HMECNJMJSA-N 1 3 344.503 2.272 10 0 EEAEHO Cc1cncc(CNC/C=C\CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001274154622 1204412664 /nfs/dbraw/zinc/41/26/64/1204412664.db2.gz TUOQAAFXGWXHFP-HMECNJMJSA-N 1 3 344.503 2.272 10 0 EEAEHO Cc1cnc([C@@H](C)NCCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC001276190653 1205825641 /nfs/dbraw/zinc/82/56/41/1205825641.db2.gz TUPWCCMAPAFBBW-BBWFWOEESA-N 1 3 347.507 2.014 10 0 EEAEHO Cc1cnc([C@@H](C)NCCCN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC001276190653 1205825642 /nfs/dbraw/zinc/82/56/42/1205825642.db2.gz TUPWCCMAPAFBBW-BBWFWOEESA-N 1 3 347.507 2.014 10 0 EEAEHO COc1cccc(C(=O)NCCN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925509250 1206121364 /nfs/dbraw/zinc/12/13/64/1206121364.db2.gz VXMRLNMZNIENDY-RBUKOAKNSA-N 1 3 345.487 2.183 10 0 EEAEHO CN(C)C(=O)c1cccc(CCN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925517938 1206121934 /nfs/dbraw/zinc/12/19/34/1206121934.db2.gz OWWWRMWLXOYNBF-FGTMMUONSA-N 1 3 329.488 2.297 10 0 EEAEHO CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)c1 ZINC000925517938 1206121935 /nfs/dbraw/zinc/12/19/35/1206121935.db2.gz OWWWRMWLXOYNBF-FGTMMUONSA-N 1 3 329.488 2.297 10 0 EEAEHO Cc1ccc(C(=O)NCCN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925595086 1206133543 /nfs/dbraw/zinc/13/35/43/1206133543.db2.gz FUGSJHCRCDVZHE-MOPGFXCFSA-N 1 3 329.488 2.483 10 0 EEAEHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C[C@@H](C)O1 ZINC000900980335 1235074174 /nfs/dbraw/zinc/07/41/74/1235074174.db2.gz JXNOAHIJGJDSLL-TVFCKZIOSA-N 1 3 337.508 2.009 10 0 EEAEHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C[C@@H](C)O1 ZINC000900980335 1235074177 /nfs/dbraw/zinc/07/41/77/1235074177.db2.gz JXNOAHIJGJDSLL-TVFCKZIOSA-N 1 3 337.508 2.009 10 0 EEAEHO c1ccc(CN(C[C@@H]2CCCO2)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903722161 1241720441 /nfs/dbraw/zinc/72/04/41/1241720441.db2.gz IATADEXWXBIJJD-UFYCRDLUSA-N 1 3 330.472 2.436 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CN2CCC(OCCC(C)C)CC2)cnn1C ZINC000903884455 1242312987 /nfs/dbraw/zinc/31/29/87/1242312987.db2.gz AKPHMSRIUFBXMQ-KRWDZBQOSA-N 1 3 336.524 2.373 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN(C)Cc2cccc(N(C)C)c2)cnn1C ZINC000903898529 1242390347 /nfs/dbraw/zinc/39/03/47/1242390347.db2.gz ORQKTPZSAXEAFL-QGZVFWFLSA-N 1 3 329.492 2.044 10 0 EEAEHO CCN(CC(=O)Nc1ccccc1OC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903905701 1242421966 /nfs/dbraw/zinc/42/19/66/1242421966.db2.gz LTMDYFOZOPDZHD-MQVJKMGUSA-N 1 3 331.460 2.486 10 0 EEAEHO Cc1c(C[C@@H](CN)C[NH2+]CC[C@@H]2CCc3ccccc3N2)cnn1C ZINC000903932471 1242552215 /nfs/dbraw/zinc/55/22/15/1242552215.db2.gz RWJDHHAGFKSCCZ-LPHOPBHVSA-N 1 3 341.503 2.253 10 0 EEAEHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)sn1 ZINC001491025747 1258583981 /nfs/dbraw/zinc/58/39/81/1258583981.db2.gz DLDUWVSQOWSMCQ-QLFBSQMISA-N 1 3 336.505 2.063 10 0 EEAEHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)sn1 ZINC001491025747 1258583987 /nfs/dbraw/zinc/58/39/87/1258583987.db2.gz DLDUWVSQOWSMCQ-QLFBSQMISA-N 1 3 336.505 2.063 10 0 EEAEHO C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NCc1cccnc1 ZINC001491478792 1259129239 /nfs/dbraw/zinc/12/92/39/1259129239.db2.gz SUMUDACESVYQJF-CRAIPNDOSA-N 1 3 330.476 2.083 10 0 EEAEHO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)NCc1cccnc1 ZINC001491478792 1259129244 /nfs/dbraw/zinc/12/92/44/1259129244.db2.gz SUMUDACESVYQJF-CRAIPNDOSA-N 1 3 330.476 2.083 10 0 EEAEHO C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NCc1cccnc1 ZINC001491478793 1259129487 /nfs/dbraw/zinc/12/94/87/1259129487.db2.gz SUMUDACESVYQJF-MAUKXSAKSA-N 1 3 330.476 2.083 10 0 EEAEHO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)NCc1cccnc1 ZINC001491478793 1259129491 /nfs/dbraw/zinc/12/94/91/1259129491.db2.gz SUMUDACESVYQJF-MAUKXSAKSA-N 1 3 330.476 2.083 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)CCNCc2cncc(C)c2)C1 ZINC001273568955 1280004425 /nfs/dbraw/zinc/00/44/25/1280004425.db2.gz GCUVNPXBCDCMFZ-LJQANCHMSA-N 1 3 346.519 2.450 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N(CC)CCNCc2cncc(C)c2)C1 ZINC001273568955 1280004434 /nfs/dbraw/zinc/00/44/34/1280004434.db2.gz GCUVNPXBCDCMFZ-LJQANCHMSA-N 1 3 346.519 2.450 10 0 EEAEHO CCCCCC[C@@](O)(C[N@@H+]1CCC[C@@]2(CCN(C)C2)C1)C(=O)OC ZINC000852107674 1291994737 /nfs/dbraw/zinc/99/47/37/1291994737.db2.gz OAPSIIUYCLWAFN-RBUKOAKNSA-N 1 3 340.508 2.279 10 0 EEAEHO CCCCCC[C@@](O)(C[N@H+]1CCC[C@@]2(CCN(C)C2)C1)C(=O)OC ZINC000852107674 1291994741 /nfs/dbraw/zinc/99/47/41/1291994741.db2.gz OAPSIIUYCLWAFN-RBUKOAKNSA-N 1 3 340.508 2.279 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC000855345868 1293184223 /nfs/dbraw/zinc/18/42/23/1293184223.db2.gz JCXYOEUFUAASKR-HOTGVXAUSA-N 1 3 337.483 2.393 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC000855345868 1293184229 /nfs/dbraw/zinc/18/42/29/1293184229.db2.gz JCXYOEUFUAASKR-HOTGVXAUSA-N 1 3 337.483 2.393 10 0 EEAEHO Cc1sc(Cl)nc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346656 1293184642 /nfs/dbraw/zinc/18/46/42/1293184642.db2.gz IGQYIIZVOGUKJB-JTQLQIEISA-N 1 3 332.901 2.107 10 0 EEAEHO Cc1sc(Cl)nc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346656 1293184644 /nfs/dbraw/zinc/18/46/44/1293184644.db2.gz IGQYIIZVOGUKJB-JTQLQIEISA-N 1 3 332.901 2.107 10 0 EEAEHO CCN(C)Cc1cc(O[C@@H]2CCN(CC[NH+]3CCCCC3)C2)ccn1 ZINC000856585698 1293571901 /nfs/dbraw/zinc/57/19/01/1293571901.db2.gz LZYKJSDBYYILPQ-HXUWFJFHSA-N 1 3 346.519 2.472 10 0 EEAEHO CCN(C)Cc1cc(O[C@@H]2CCN(CC[NH+]3CCCC3)C2)ccn1 ZINC000856591251 1293574757 /nfs/dbraw/zinc/57/47/57/1293574757.db2.gz LJFXGWANYYVMBG-LJQANCHMSA-N 1 3 332.492 2.082 10 0 EEAEHO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C[C@@H]3CCC(=O)O3)C2)ccn1 ZINC000856605435 1293580262 /nfs/dbraw/zinc/58/02/62/1293580262.db2.gz WXKZWDQQVPRWPN-ROUUACIJSA-N 1 3 347.459 2.081 10 0 EEAEHO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C[C@@H]3CCC(=O)O3)C2)ccn1 ZINC000856605435 1293580266 /nfs/dbraw/zinc/58/02/66/1293580266.db2.gz WXKZWDQQVPRWPN-ROUUACIJSA-N 1 3 347.459 2.081 10 0 EEAEHO Cc1oncc1CNCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001277279912 1302157169 /nfs/dbraw/zinc/15/71/69/1302157169.db2.gz KRVDTVSCJIJFEJ-YCPHGPKFSA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1oncc1CNCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001277279912 1302157174 /nfs/dbraw/zinc/15/71/74/1302157174.db2.gz KRVDTVSCJIJFEJ-YCPHGPKFSA-N 1 3 336.480 2.088 10 0 EEAEHO C[C@@H](CCCNCc1cccc(Cl)n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277356276 1302615552 /nfs/dbraw/zinc/61/55/52/1302615552.db2.gz RDGTWALVTDAGCB-UONOGXRCSA-N 1 3 338.883 2.061 10 0 EEAEHO C[C@@H](CCCNCc1cccc(Cl)n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001277356276 1302615561 /nfs/dbraw/zinc/61/55/61/1302615561.db2.gz RDGTWALVTDAGCB-UONOGXRCSA-N 1 3 338.883 2.061 10 0 EEAEHO C[C@H](NCc1nccs1)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001279038055 1319059216 /nfs/dbraw/zinc/05/92/16/1319059216.db2.gz DNBJVNISDWJLFG-GJZGRUSLSA-N 1 3 338.521 2.202 10 0 EEAEHO O=C(CCCC[NH+]1CCCC1)N[C@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001265319693 1323068078 /nfs/dbraw/zinc/06/80/78/1323068078.db2.gz PXQUVPODGYWCLC-ROUUACIJSA-N 1 3 337.508 2.012 10 0 EEAEHO CN(CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)Cc1cccnc1 ZINC001265872133 1323443971 /nfs/dbraw/zinc/44/39/71/1323443971.db2.gz PFYDOAIQHWDDKP-ROUUACIJSA-N 1 3 330.476 2.037 10 0 EEAEHO CN(CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)Cc1cccnc1 ZINC001265872133 1323443978 /nfs/dbraw/zinc/44/39/78/1323443978.db2.gz PFYDOAIQHWDDKP-ROUUACIJSA-N 1 3 330.476 2.037 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC001266018515 1323570020 /nfs/dbraw/zinc/57/00/20/1323570020.db2.gz RNYFPVKEIROKPW-HNNXBMFYSA-N 1 3 346.862 2.286 10 0 EEAEHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cccnc1)N(C)C ZINC001266222537 1323793517 /nfs/dbraw/zinc/79/35/17/1323793517.db2.gz CRVADHXVLDWXRT-QZTJIDSGSA-N 1 3 332.492 2.283 10 0 EEAEHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1cccnc1)N(C)C ZINC001266222537 1323793526 /nfs/dbraw/zinc/79/35/26/1323793526.db2.gz CRVADHXVLDWXRT-QZTJIDSGSA-N 1 3 332.492 2.283 10 0 EEAEHO Cc1ncccc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001280082534 1324077827 /nfs/dbraw/zinc/07/78/27/1324077827.db2.gz DHRWFGRYGZPHAL-MJGOQNOKSA-N 1 3 346.519 2.304 10 0 EEAEHO CC(C)=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C(C)(C)N2CCCC2)CCO1 ZINC001282914795 1325832883 /nfs/dbraw/zinc/83/28/83/1325832883.db2.gz LNZOJHSVIFLFKL-DLBZAZTESA-N 1 3 337.508 2.033 10 0 EEAEHO CC(C)N(C)CC(=O)NCCC[C@@H]1CCC[N@@H+]1C[C@H]1CCCCO1 ZINC001492177500 1331056779 /nfs/dbraw/zinc/05/67/79/1331056779.db2.gz HDZIFEYZYFAOGS-QZTJIDSGSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)N(C)CC(=O)NCCC[C@@H]1CCC[N@H+]1C[C@H]1CCCCO1 ZINC001492177500 1331056786 /nfs/dbraw/zinc/05/67/86/1331056786.db2.gz HDZIFEYZYFAOGS-QZTJIDSGSA-N 1 3 339.524 2.257 10 0 EEAEHO COCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)[C@H]1C ZINC001316799759 1331898978 /nfs/dbraw/zinc/89/89/78/1331898978.db2.gz HVNBKMBXMVTTNK-FGTMMUONSA-N 1 3 339.524 2.112 10 0 EEAEHO COCCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)[C@H]1C ZINC001316799759 1331898984 /nfs/dbraw/zinc/89/89/84/1331898984.db2.gz HVNBKMBXMVTTNK-FGTMMUONSA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CCCc3ccccc3)C2)C1 ZINC001317338812 1332185195 /nfs/dbraw/zinc/18/51/95/1332185195.db2.gz PUSGDQFQLDAVJZ-UYAOXDASSA-N 1 3 343.515 2.399 10 0 EEAEHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1ccccn1)N(C)C ZINC001317433529 1332237429 /nfs/dbraw/zinc/23/74/29/1332237429.db2.gz FJNPIGCVVAKAKQ-ROUUACIJSA-N 1 3 332.492 2.283 10 0 EEAEHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@H+]1Cc1ccccn1)N(C)C ZINC001317433529 1332237432 /nfs/dbraw/zinc/23/74/32/1332237432.db2.gz FJNPIGCVVAKAKQ-ROUUACIJSA-N 1 3 332.492 2.283 10 0 EEAEHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC001317435343 1332239284 /nfs/dbraw/zinc/23/92/84/1332239284.db2.gz RILFVNKOUPFCEU-SFHVURJKSA-N 1 3 332.492 2.283 10 0 EEAEHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[N@H+]1Cc1cccnc1 ZINC001317435343 1332239287 /nfs/dbraw/zinc/23/92/87/1332239287.db2.gz RILFVNKOUPFCEU-SFHVURJKSA-N 1 3 332.492 2.283 10 0 EEAEHO CC(C)OCC[NH2+]CC1(NC(=O)CN2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001318669670 1332574760 /nfs/dbraw/zinc/57/47/60/1332574760.db2.gz FHVGOMACSDDYEM-CALCHBBNSA-N 1 3 339.524 2.303 10 0 EEAEHO CCN(CCNCc1cncc(C)c1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001320929565 1332981343 /nfs/dbraw/zinc/98/13/43/1332981343.db2.gz SAYHQEREXOMOCY-CALCHBBNSA-N 1 3 332.492 2.201 10 0 EEAEHO CCN(CCNCc1cncc(C)c1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001320929565 1332981345 /nfs/dbraw/zinc/98/13/45/1332981345.db2.gz SAYHQEREXOMOCY-CALCHBBNSA-N 1 3 332.492 2.201 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1F)N(C)C ZINC001324224693 1333638508 /nfs/dbraw/zinc/63/85/08/1333638508.db2.gz DUTBZJHNUMOEMV-WMZOPIPTSA-N 1 3 335.467 2.289 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001324235507 1333640336 /nfs/dbraw/zinc/64/03/36/1333640336.db2.gz LAJNDORAVLOYBQ-YPMHNXCESA-N 1 3 345.274 2.117 10 0 EEAEHO CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001325766941 1333956898 /nfs/dbraw/zinc/95/68/98/1333956898.db2.gz SETWEJFHQLRBIN-SNHAVAMSSA-N 1 3 333.520 2.465 10 0 EEAEHO CC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001325766941 1333956901 /nfs/dbraw/zinc/95/69/01/1333956901.db2.gz SETWEJFHQLRBIN-SNHAVAMSSA-N 1 3 333.520 2.465 10 0 EEAEHO Cc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC001326223267 1334047065 /nfs/dbraw/zinc/04/70/65/1334047065.db2.gz HHLDRBARRYVHCI-MOPGFXCFSA-N 1 3 329.488 2.417 10 0 EEAEHO Cc1oncc1CNCC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001326349561 1334074140 /nfs/dbraw/zinc/07/41/40/1334074140.db2.gz NOJFRZLXBNJGQL-XIRDDKMYSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1oncc1CNCC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001326349561 1334074144 /nfs/dbraw/zinc/07/41/44/1334074144.db2.gz NOJFRZLXBNJGQL-XIRDDKMYSA-N 1 3 348.491 2.042 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCCOC)CC1 ZINC001328048952 1334384404 /nfs/dbraw/zinc/38/44/04/1334384404.db2.gz AFCYJCVTWZFGKG-KRWDZBQOSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@H](CC[NH+](C)C)C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC001433876720 1341710824 /nfs/dbraw/zinc/71/08/24/1341710824.db2.gz VMWWRFKXZVORIC-OAHLLOKOSA-N 1 3 333.476 2.170 10 0 EEAEHO CCN(CCNCc1cnc(C)s1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001668652319 1355980311 /nfs/dbraw/zinc/98/03/11/1355980311.db2.gz LTFCXWTYCKLWND-OKILXGFUSA-N 1 3 338.521 2.262 10 0 EEAEHO CCN(CCNCc1cnc(C)s1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001668652319 1355980313 /nfs/dbraw/zinc/98/03/13/1355980313.db2.gz LTFCXWTYCKLWND-OKILXGFUSA-N 1 3 338.521 2.262 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CCCOC)C1 ZINC001566746199 1342622549 /nfs/dbraw/zinc/62/25/49/1342622549.db2.gz CPUKHNOKJRIPIK-ZWKOTPCHSA-N 1 3 339.524 2.068 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CCCOC)C1 ZINC001566746199 1342622551 /nfs/dbraw/zinc/62/25/51/1342622551.db2.gz CPUKHNOKJRIPIK-ZWKOTPCHSA-N 1 3 339.524 2.068 10 0 EEAEHO CC[C@@H](C(=O)N1CCC(CC)([NH2+]CCOC(C)C)CC1)N(C)C ZINC001570263076 1343044201 /nfs/dbraw/zinc/04/42/01/1343044201.db2.gz ADMQEJPJPHSPAV-INIZCTEOSA-N 1 3 327.513 2.112 10 0 EEAEHO CN(C[C@H]1CCCN1C(=O)CCCC[NH+](C)C)C[C@@H]1CCCCO1 ZINC001570543851 1343080876 /nfs/dbraw/zinc/08/08/76/1343080876.db2.gz OGBWDEMEGBCJIH-MSOLQXFVSA-N 1 3 339.524 2.210 10 0 EEAEHO COCCC[NH2+]C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C(C)(C)C ZINC001571634369 1343256145 /nfs/dbraw/zinc/25/61/45/1343256145.db2.gz HIDKWPJCYXYQAS-DLBZAZTESA-N 1 3 341.540 2.408 10 0 EEAEHO CCCCOCCN1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001660776192 1354536511 /nfs/dbraw/zinc/53/65/11/1354536511.db2.gz PWHNRXMMUGXMAF-SJLPKXTDSA-N 1 3 339.524 2.066 10 0 EEAEHO CCCCOCCN1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001660776192 1354536514 /nfs/dbraw/zinc/53/65/14/1354536514.db2.gz PWHNRXMMUGXMAF-SJLPKXTDSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1ncc(CN(CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)C)o1 ZINC001664510752 1355181973 /nfs/dbraw/zinc/18/19/73/1355181973.db2.gz WRVWZXRXKXLFQR-RHSMWYFYSA-N 1 3 336.480 2.040 10 0 EEAEHO Cc1ncc(CN(CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)C)o1 ZINC001664510752 1355181980 /nfs/dbraw/zinc/18/19/80/1355181980.db2.gz WRVWZXRXKXLFQR-RHSMWYFYSA-N 1 3 336.480 2.040 10 0 EEAEHO Cc1oncc1CNCC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001667301635 1355702807 /nfs/dbraw/zinc/70/28/07/1355702807.db2.gz HKBBMCJPKJAVBZ-SJLPKXTDSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1oncc1CNCC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001667301635 1355702809 /nfs/dbraw/zinc/70/28/09/1355702809.db2.gz HKBBMCJPKJAVBZ-SJLPKXTDSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1cnc(CNCC[C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)cn1 ZINC001668235194 1355906027 /nfs/dbraw/zinc/90/60/27/1355906027.db2.gz ZWEGWKNPPJUZGW-WBVHZDCISA-N 1 3 347.507 2.034 10 0 EEAEHO C[NH+](C)CCCC(=O)NC/C=C/CN[C@H]1CCc2ccc(F)cc21 ZINC001669008026 1356066329 /nfs/dbraw/zinc/06/63/29/1356066329.db2.gz DUWBLPOTBAEGBT-WHLIDYPQSA-N 1 3 333.451 2.417 10 0 EEAEHO CN(CCC[NH2+]C[C@H]1CCc2ccccc2C1)C(=O)CN1CCCC1 ZINC001670345111 1356324012 /nfs/dbraw/zinc/32/40/12/1356324012.db2.gz PLPLSGLMVFQNSM-SFHVURJKSA-N 1 3 343.515 2.325 10 0 EEAEHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCc1ccccc1 ZINC001672285920 1356494028 /nfs/dbraw/zinc/49/40/28/1356494028.db2.gz BYYOGVQDNCYMKP-PKOBYXMFSA-N 1 3 343.515 2.398 10 0 EEAEHO CCOCC[N@@H+]1CCc2c(CNC(=O)CN(C)C(C)C)cccc2C1 ZINC001673079496 1356644471 /nfs/dbraw/zinc/64/44/71/1356644471.db2.gz CELZNZQGLYLXOL-UHFFFAOYSA-N 1 3 347.503 2.038 10 0 EEAEHO CCOCC[N@H+]1CCc2c(CNC(=O)CN(C)C(C)C)cccc2C1 ZINC001673079496 1356644475 /nfs/dbraw/zinc/64/44/75/1356644475.db2.gz CELZNZQGLYLXOL-UHFFFAOYSA-N 1 3 347.503 2.038 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C)[C@H]2CCC[NH2+]CCF)C1 ZINC001692119805 1404980648 /nfs/dbraw/zinc/98/06/48/1404980648.db2.gz LEEQCTSRSQMDRG-BRWVUGGUSA-N 1 3 327.488 2.295 10 0 EEAEHO C[C@@H](C[NH2+]CCOC1CCCCCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001698838288 1405100397 /nfs/dbraw/zinc/10/03/97/1405100397.db2.gz VUEPRHZPZIUDJX-FUHWJXTLSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1cc(CNCCCN(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)on1 ZINC001699545514 1405379747 /nfs/dbraw/zinc/37/97/47/1405379747.db2.gz SUEDLRTVHIMEQT-HZPDHXFCSA-N 1 3 336.480 2.042 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1 ZINC001699747337 1405464822 /nfs/dbraw/zinc/46/48/22/1405464822.db2.gz VTLSKVQLDGKLKE-OALUTQOASA-N 1 3 329.488 2.212 10 0 EEAEHO CN(C)C(=O)COc1cccc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925475276 770471854 /nfs/dbraw/zinc/47/18/54/770471854.db2.gz LESPDBKBPYMMNN-JKSUJKDBSA-N 1 3 333.476 2.149 10 0 EEAEHO COCCN(C)CCOc1cccc(CN[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925478805 770645515 /nfs/dbraw/zinc/64/55/15/770645515.db2.gz PZXWSOSEHATJND-LJQANCHMSA-N 1 3 347.503 2.018 10 0 EEAEHO COC[C@H](C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1)C(C)C ZINC000930129688 770721580 /nfs/dbraw/zinc/72/15/80/770721580.db2.gz BBEPDUSCQCWEAD-SFHVURJKSA-N 1 3 325.541 2.395 10 0 EEAEHO [NH3+]C[C@@H]1CC2(CO1)CCN(C[C@@H](O)c1ccc(F)cc1Cl)CC2 ZINC000923439094 789562991 /nfs/dbraw/zinc/56/29/91/789562991.db2.gz CMWGWYDSGJRCNJ-XJKSGUPXSA-N 1 3 342.842 2.342 10 0 EEAEHO Cc1cc(C)c(CCNC(=O)CN2CC[C@@H](C[NH3+])[C@@H](C)C2)c(C)c1 ZINC000923499276 789682325 /nfs/dbraw/zinc/68/23/25/789682325.db2.gz RTLZJXQLDWOFJS-ROUUACIJSA-N 1 3 331.504 2.187 10 0 EEAEHO Cc1cnc(C2CCOCC2)n1CC1C[NH+](Cc2cn(C)nc2C)C1 ZINC000575548705 801763802 /nfs/dbraw/zinc/76/38/02/801763802.db2.gz COFRNIJKUUPDRX-UHFFFAOYSA-N 1 3 343.475 2.259 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCc2ccccc2)[C@@H]1C)N(C)C ZINC001436486956 1087979245 /nfs/dbraw/zinc/97/92/45/1087979245.db2.gz ATYMWMJBNYETDZ-NZSAHSFTSA-N 1 3 331.504 2.394 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCc2ccccc2)[C@@H]1C)N(C)C ZINC001436486956 1087979259 /nfs/dbraw/zinc/97/92/59/1087979259.db2.gz ATYMWMJBNYETDZ-NZSAHSFTSA-N 1 3 331.504 2.394 10 0 EEAEHO CC[C@@H](C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C)OC ZINC001436496841 1088012555 /nfs/dbraw/zinc/01/25/55/1088012555.db2.gz YAALNJZOGLSYAP-ULQDDVLXSA-N 1 3 327.513 2.065 10 0 EEAEHO CC[C@@H](C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C)OC ZINC001436496841 1088012570 /nfs/dbraw/zinc/01/25/70/1088012570.db2.gz YAALNJZOGLSYAP-ULQDDVLXSA-N 1 3 327.513 2.065 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C1CC[NH+](C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001436699078 1088162151 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/nfs/dbraw/zinc/34/66/79/1112346679.db2.gz XNVDUELYYSBSPV-UHFFFAOYSA-N 1 3 325.472 2.145 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCOc1cccc(C)c1)N(C)C ZINC001499944740 1112550873 /nfs/dbraw/zinc/55/08/73/1112550873.db2.gz PJCHMYICYBFVQQ-PKOBYXMFSA-N 1 3 347.503 2.295 10 0 EEAEHO CO[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)c1ccccc1 ZINC001499950821 1112553027 /nfs/dbraw/zinc/55/30/27/1112553027.db2.gz NTRKCTGRRKJTNE-RBUKOAKNSA-N 1 3 345.487 2.051 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CCc2ccccc2)C1)N(C)C ZINC001501638626 1113410118 /nfs/dbraw/zinc/41/01/18/1113410118.db2.gz YMSNWWNLGCCLHE-MOPGFXCFSA-N 1 3 331.504 2.398 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@H+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC001502147309 1113616239 /nfs/dbraw/zinc/61/62/39/1113616239.db2.gz GUAMYUGQGBJSIS-IRXDYDNUSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC001502147309 1113616241 /nfs/dbraw/zinc/61/62/41/1113616241.db2.gz GUAMYUGQGBJSIS-IRXDYDNUSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@H+](C)CCc1ccccc1 ZINC001505465314 1114000601 /nfs/dbraw/zinc/00/06/01/1114000601.db2.gz HJWLWKGSUDMVIP-IBGZPJMESA-N 1 3 331.504 2.492 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CCc1ccccc1 ZINC001505465314 1114000603 /nfs/dbraw/zinc/00/06/03/1114000603.db2.gz HJWLWKGSUDMVIP-IBGZPJMESA-N 1 3 331.504 2.492 10 0 EEAEHO Cc1cccnc1CN[C@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001505760105 1114174840 /nfs/dbraw/zinc/17/48/40/1114174840.db2.gz GOIFEGDLAJMAJX-SJORKVTESA-N 1 3 332.492 2.249 10 0 EEAEHO CC(C)OCCN1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001506741272 1114852060 /nfs/dbraw/zinc/85/20/60/1114852060.db2.gz FHXWGOHPDOHQOB-IRXDYDNUSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)OCCN1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001506741272 1114852063 /nfs/dbraw/zinc/85/20/63/1114852063.db2.gz FHXWGOHPDOHQOB-IRXDYDNUSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1nn(C(C)C)cc1CN[C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507127920 1115122509 /nfs/dbraw/zinc/12/25/09/1115122509.db2.gz SULUNNNOPHUWMB-HOTGVXAUSA-N 1 3 349.523 2.051 10 0 EEAEHO Cc1nn(C(C)C)cc1CN[C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507127920 1115122516 /nfs/dbraw/zinc/12/25/16/1115122516.db2.gz SULUNNNOPHUWMB-HOTGVXAUSA-N 1 3 349.523 2.051 10 0 EEAEHO Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001507127920 1115122517 /nfs/dbraw/zinc/12/25/17/1115122517.db2.gz SULUNNNOPHUWMB-HOTGVXAUSA-N 1 3 349.523 2.051 10 0 EEAEHO Cc1nn(C(C)C)cc1CN[C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507127922 1115122734 /nfs/dbraw/zinc/12/27/34/1115122734.db2.gz SULUNNNOPHUWMB-JKSUJKDBSA-N 1 3 349.523 2.051 10 0 EEAEHO Cc1nn(C(C)C)cc1CN[C@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507127922 1115122736 /nfs/dbraw/zinc/12/27/36/1115122736.db2.gz SULUNNNOPHUWMB-JKSUJKDBSA-N 1 3 349.523 2.051 10 0 EEAEHO Cc1nn(C(C)C)cc1C[NH2+][C@H](C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001507127922 1115122739 /nfs/dbraw/zinc/12/27/39/1115122739.db2.gz SULUNNNOPHUWMB-JKSUJKDBSA-N 1 3 349.523 2.051 10 0 EEAEHO Cc1ccc(OCC[NH2+][C@@H](C)CN(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001507128390 1115123115 /nfs/dbraw/zinc/12/31/15/1115123115.db2.gz VDEQBXZQPZFLOQ-ROUUACIJSA-N 1 3 347.503 2.152 10 0 EEAEHO CCOCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C(C)(C)C ZINC001508019682 1115389447 /nfs/dbraw/zinc/38/94/47/1115389447.db2.gz CUMVKNIKVPRFDT-IAGOWNOFSA-N 1 3 341.540 2.406 10 0 EEAEHO C[C@@H](C[NH2+]CCc1c(F)cccc1F)N(C)C(=O)[C@H]1CCCN1C ZINC001568291794 1124408396 /nfs/dbraw/zinc/40/83/96/1124408396.db2.gz QJPUKNXTTQGHAA-SUMWQHHRSA-N 1 3 339.430 2.038 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CCNCc2cc(C)no2)C1 ZINC001568669571 1124684067 /nfs/dbraw/zinc/68/40/67/1124684067.db2.gz SMOIVQGJDVZIKA-HOCLYGCPSA-N 1 3 336.480 2.089 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CCNCc2cc(C)no2)C1 ZINC001568669571 1124684071 /nfs/dbraw/zinc/68/40/71/1124684071.db2.gz SMOIVQGJDVZIKA-HOCLYGCPSA-N 1 3 336.480 2.089 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001568741520 1124754376 /nfs/dbraw/zinc/75/43/76/1124754376.db2.gz AOGZWCNFBMZZRQ-SFHVURJKSA-N 1 3 332.492 2.201 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001568741520 1124754381 /nfs/dbraw/zinc/75/43/81/1124754381.db2.gz AOGZWCNFBMZZRQ-SFHVURJKSA-N 1 3 332.492 2.201 10 0 EEAEHO CCN(CCNCc1ccccc1OC(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001568797637 1124811668 /nfs/dbraw/zinc/81/16/68/1124811668.db2.gz JPHQUEJLFPSPLF-SFHVURJKSA-N 1 3 347.503 2.364 10 0 EEAEHO CCN(CCNCc1ccccc1OC(C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001568797637 1124811675 /nfs/dbraw/zinc/81/16/75/1124811675.db2.gz JPHQUEJLFPSPLF-SFHVURJKSA-N 1 3 347.503 2.364 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NC/C=C/C[NH2+]CC1CCC(F)(F)CC1 ZINC001568953556 1124988679 /nfs/dbraw/zinc/98/86/79/1124988679.db2.gz FFBNKHNDWQMQKF-NSCUHMNNSA-N 1 3 340.418 2.348 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000050802260 214070938 /nfs/dbraw/zinc/07/09/38/214070938.db2.gz VOKSIPCZLMCHJY-OAHLLOKOSA-N 1 3 348.318 2.245 10 0 EEAEHO CCCN1CC2(C[C@H]1C(=O)NCc1ccc(O)cc1)CC[NH+](C)CC2 ZINC000072430580 216223164 /nfs/dbraw/zinc/22/31/64/216223164.db2.gz JZDHDUPDDSEVCI-SFHVURJKSA-N 1 3 345.487 2.205 10 0 EEAEHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1ccccc1Br ZINC000422836116 240252437 /nfs/dbraw/zinc/25/24/37/240252437.db2.gz ZTPKFIDEMFVORK-WHOFXGATSA-N 1 3 327.266 2.334 10 0 EEAEHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1ccccc1Br ZINC000422836116 240252442 /nfs/dbraw/zinc/25/24/42/240252442.db2.gz ZTPKFIDEMFVORK-WHOFXGATSA-N 1 3 327.266 2.334 10 0 EEAEHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1ccccc1Br ZINC000422836113 240252629 /nfs/dbraw/zinc/25/26/29/240252629.db2.gz ZTPKFIDEMFVORK-CORIIIEPSA-N 1 3 327.266 2.334 10 0 EEAEHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1ccccc1Br ZINC000422836113 240252636 /nfs/dbraw/zinc/25/26/36/240252636.db2.gz ZTPKFIDEMFVORK-CORIIIEPSA-N 1 3 327.266 2.334 10 0 EEAEHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(-n2cncn2)cc1Cl ZINC000447593960 242292759 /nfs/dbraw/zinc/29/27/59/242292759.db2.gz WBEKBZKMSXQEEM-CYBMUJFWSA-N 1 3 337.855 2.150 10 0 EEAEHO CN(c1ccccc1C[NH2+]C[C@H]1CC[C@@H](O)C1)C1CCN(C)CC1 ZINC000248968253 160369555 /nfs/dbraw/zinc/36/95/55/160369555.db2.gz CCQQVVUGPXWWQM-QFBILLFUSA-N 1 3 331.504 2.468 10 0 EEAEHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCCN(C3CC3)CC2)C1 ZINC000194662427 160198171 /nfs/dbraw/zinc/19/81/71/160198171.db2.gz ZSGZNAQPSBDOEF-QGZVFWFLSA-N 1 3 336.524 2.378 10 0 EEAEHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCCN(C3CC3)CC2)C1 ZINC000194662427 160198174 /nfs/dbraw/zinc/19/81/74/160198174.db2.gz ZSGZNAQPSBDOEF-QGZVFWFLSA-N 1 3 336.524 2.378 10 0 EEAEHO CN(C)CCOc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)ccn1 ZINC000245830484 160253267 /nfs/dbraw/zinc/25/32/67/160253267.db2.gz BRAFDZROGZRUDN-QXAKKESOSA-N 1 3 345.487 2.459 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@](C)(O)C2CC2)CC1 ZINC000344414353 161225328 /nfs/dbraw/zinc/22/53/28/161225328.db2.gz XOJFNVBWBSVBGT-HXUWFJFHSA-N 1 3 331.504 2.469 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1)[NH+](CC)CC ZINC000275572476 269126146 /nfs/dbraw/zinc/12/61/46/269126146.db2.gz FIGVAUQKSRDXKC-RBUKOAKNSA-N 1 3 346.519 2.482 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000275681919 269135236 /nfs/dbraw/zinc/13/52/36/269135236.db2.gz UMMIBPRJNHTUDA-UHFFFAOYSA-N 1 3 333.476 2.183 10 0 EEAEHO CN(C(=O)NCC1([NH+](C)C)CCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000275691572 269135753 /nfs/dbraw/zinc/13/57/53/269135753.db2.gz WFUMSGDWDAPBFO-GOSISDBHSA-N 1 3 344.503 2.387 10 0 EEAEHO COCCN1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000278688661 274389913 /nfs/dbraw/zinc/38/99/13/274389913.db2.gz KIAVHXCRWGXZCH-BURNTYAHSA-N 1 3 343.515 2.492 10 0 EEAEHO COCCN1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000278688661 274389914 /nfs/dbraw/zinc/38/99/14/274389914.db2.gz KIAVHXCRWGXZCH-BURNTYAHSA-N 1 3 343.515 2.492 10 0 EEAEHO COCCN1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000278688661 274389915 /nfs/dbraw/zinc/38/99/15/274389915.db2.gz KIAVHXCRWGXZCH-BURNTYAHSA-N 1 3 343.515 2.492 10 0 EEAEHO c1c2c(cc3c1OCCC[C@@H]3NCCN1CC[NH2+]CC1)CCCC2 ZINC000423201166 304850422 /nfs/dbraw/zinc/85/04/22/304850422.db2.gz HUZPBJXCEKPDBI-IBGZPJMESA-N 1 3 329.488 2.274 10 0 EEAEHO CC1(C)C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CC[C@@H]1C(F)(F)F ZINC000414758233 313078677 /nfs/dbraw/zinc/07/86/77/313078677.db2.gz MKOBEZCKJKSBPE-OLZOCXBDSA-N 1 3 335.414 2.094 10 0 EEAEHO CC1(C)C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CC[C@@H]1C(F)(F)F ZINC000414758233 313078680 /nfs/dbraw/zinc/07/86/80/313078680.db2.gz MKOBEZCKJKSBPE-OLZOCXBDSA-N 1 3 335.414 2.094 10 0 EEAEHO CN(C)CCOc1cccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000414888301 313106534 /nfs/dbraw/zinc/10/65/34/313106534.db2.gz REWFWAHUBSBRLA-SJPCQFCGSA-N 1 3 346.475 2.374 10 0 EEAEHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000416794559 313318506 /nfs/dbraw/zinc/31/85/06/313318506.db2.gz PWYONNFZRLOJFH-HKUYNNGSSA-N 1 3 342.487 2.044 10 0 EEAEHO C[NH2+]CCc1ccccc1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000422540078 314277417 /nfs/dbraw/zinc/27/74/17/314277417.db2.gz LFGIAIPSVAABPW-UHFFFAOYSA-N 1 3 327.403 2.486 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000448851320 315392448 /nfs/dbraw/zinc/39/24/48/315392448.db2.gz CGBVWIAEAKZPHP-MGPQQGTHSA-N 1 3 335.414 2.059 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000448851320 315392450 /nfs/dbraw/zinc/39/24/50/315392450.db2.gz CGBVWIAEAKZPHP-MGPQQGTHSA-N 1 3 335.414 2.059 10 0 EEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000527504714 317203728 /nfs/dbraw/zinc/20/37/28/317203728.db2.gz YBAUMYNLOITTBC-UHFFFAOYSA-N 1 3 348.278 2.346 10 0 EEAEHO C[C@]1(CNC(=O)NCC2CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000564309566 319077249 /nfs/dbraw/zinc/07/72/49/319077249.db2.gz FKVGHFFCNWNPIQ-HXUWFJFHSA-N 1 3 344.503 2.340 10 0 EEAEHO C[C@H](CNC(=O)N1CCc2ccccc2[C@@H]1CN)[N@@H+]1CCC[C@@H](C)C1 ZINC000565301400 319170364 /nfs/dbraw/zinc/17/03/64/319170364.db2.gz BLUXQCNBKLWCTA-MDZRGWNJSA-N 1 3 344.503 2.375 10 0 EEAEHO C[C@H](CNC(=O)N1CCc2ccccc2[C@@H]1CN)[N@H+]1CCC[C@@H](C)C1 ZINC000565301400 319170366 /nfs/dbraw/zinc/17/03/66/319170366.db2.gz BLUXQCNBKLWCTA-MDZRGWNJSA-N 1 3 344.503 2.375 10 0 EEAEHO CN(C)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000572346645 319837087 /nfs/dbraw/zinc/83/70/87/319837087.db2.gz HQHVFSMMDNQLMZ-HKUYNNGSSA-N 1 3 330.476 2.074 10 0 EEAEHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccccc1OCCN(C)C ZINC000574758828 320054673 /nfs/dbraw/zinc/05/46/73/320054673.db2.gz CGKQIYZZPMHJSD-MRXNPFEDSA-N 1 3 347.503 2.429 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000578246744 320304034 /nfs/dbraw/zinc/30/40/34/320304034.db2.gz ZUQUNFHGXYQTOQ-LPHOPBHVSA-N 1 3 329.488 2.355 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000578246744 320304035 /nfs/dbraw/zinc/30/40/35/320304035.db2.gz ZUQUNFHGXYQTOQ-LPHOPBHVSA-N 1 3 329.488 2.355 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 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EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(OC(F)F)c1 ZINC000617503674 469701210 /nfs/dbraw/zinc/70/12/10/469701210.db2.gz UEWAHIVIVBHRJF-ZDUSSCGKSA-N 1 3 343.418 2.290 10 0 EEAEHO Cc1cc(C)cc(OCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000617503487 469702232 /nfs/dbraw/zinc/70/22/32/469702232.db2.gz LJXCRVPGCOERFO-KRWDZBQOSA-N 1 3 335.492 2.070 10 0 EEAEHO Cc1cc(C)cc(OCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000617503487 469702236 /nfs/dbraw/zinc/70/22/36/469702236.db2.gz LJXCRVPGCOERFO-KRWDZBQOSA-N 1 3 335.492 2.070 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1cc(F)c(F)cc1F ZINC000617506483 469705167 /nfs/dbraw/zinc/70/51/67/469705167.db2.gz PBJUTFGWCKHASA-LBPRGKRZSA-N 1 3 345.409 2.035 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1cc(F)c(F)cc1F ZINC000617506483 469705170 /nfs/dbraw/zinc/70/51/70/469705170.db2.gz PBJUTFGWCKHASA-LBPRGKRZSA-N 1 3 345.409 2.035 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C[NH2+]1 ZINC000627083515 469809231 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EEAEHO c1ccc(CN2C[C@@H]3C[N@H+](CCOC4CCOCC4)C[C@@H]3C2)cc1 ZINC000625383787 470131922 /nfs/dbraw/zinc/13/19/22/470131922.db2.gz GKQVVNZUNYATOZ-KDURUIRLSA-N 1 3 330.472 2.246 10 0 EEAEHO c1ccc(CN2C[C@@H]3C[N@@H+](CCOC4CCOCC4)C[C@@H]3C2)cc1 ZINC000625383787 470131924 /nfs/dbraw/zinc/13/19/24/470131924.db2.gz GKQVVNZUNYATOZ-KDURUIRLSA-N 1 3 330.472 2.246 10 0 EEAEHO CN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000625486874 470153495 /nfs/dbraw/zinc/15/34/95/470153495.db2.gz JRBWDKOWIACQEP-GBESFXJTSA-N 1 3 327.472 2.027 10 0 EEAEHO CN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000625486874 470153499 /nfs/dbraw/zinc/15/34/99/470153499.db2.gz JRBWDKOWIACQEP-GBESFXJTSA-N 1 3 327.472 2.027 10 0 EEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000631662353 470176935 /nfs/dbraw/zinc/17/69/35/470176935.db2.gz FKWVUIPRLNASLD-KBAYOESNSA-N 1 3 329.488 2.401 10 0 EEAEHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000631824877 470185895 /nfs/dbraw/zinc/18/58/95/470185895.db2.gz STLJOCWPJFJFLG-GBESFXJTSA-N 1 3 339.487 2.438 10 0 EEAEHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000631824877 470185896 /nfs/dbraw/zinc/18/58/96/470185896.db2.gz STLJOCWPJFJFLG-GBESFXJTSA-N 1 3 339.487 2.438 10 0 EEAEHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C[C@@H]1CCc2ncnn21 ZINC000631824877 470185897 /nfs/dbraw/zinc/18/58/97/470185897.db2.gz STLJOCWPJFJFLG-GBESFXJTSA-N 1 3 339.487 2.438 10 0 EEAEHO CN(Cc1cc2cccnc2o1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000648585966 470299112 /nfs/dbraw/zinc/29/91/12/470299112.db2.gz CNCXQGVNBWEJFR-KRWDZBQOSA-N 1 3 328.460 2.428 10 0 EEAEHO CN(Cc1cc2cccnc2o1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000648585966 470299116 /nfs/dbraw/zinc/29/91/16/470299116.db2.gz CNCXQGVNBWEJFR-KRWDZBQOSA-N 1 3 328.460 2.428 10 0 EEAEHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)C2)cc1 ZINC000633337576 470429445 /nfs/dbraw/zinc/42/94/45/470429445.db2.gz KKGNSFCHDCLPEG-QRVBRYPASA-N 1 3 344.503 2.209 10 0 EEAEHO CCC(CC)(CNC(=O)COC1(C)CNC1)[NH2+][C@H](C)c1ccccc1 ZINC000649332775 470549093 /nfs/dbraw/zinc/54/90/93/470549093.db2.gz FRJVBAXBMUZFMA-MRXNPFEDSA-N 1 3 347.503 2.391 10 0 EEAEHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000635438408 470586164 /nfs/dbraw/zinc/58/61/64/470586164.db2.gz CUYGYJGUXJUNCR-RBUKOAKNSA-N 1 3 329.488 2.499 10 0 EEAEHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000635438408 470586168 /nfs/dbraw/zinc/58/61/68/470586168.db2.gz CUYGYJGUXJUNCR-RBUKOAKNSA-N 1 3 329.488 2.499 10 0 EEAEHO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1 ZINC000646911758 470773360 /nfs/dbraw/zinc/77/33/60/470773360.db2.gz GIEQAEYRUHHEPZ-IEBWSBKVSA-N 1 3 345.487 2.183 10 0 EEAEHO CN1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000646917634 470776674 /nfs/dbraw/zinc/77/66/74/470776674.db2.gz CJMCQNOTHOYPEJ-OTWHNJEPSA-N 1 3 327.472 2.061 10 0 EEAEHO CN1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000646917634 470776676 /nfs/dbraw/zinc/77/66/76/470776676.db2.gz CJMCQNOTHOYPEJ-OTWHNJEPSA-N 1 3 327.472 2.061 10 0 EEAEHO C[C@@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2n(n1)CCCC2 ZINC000647288497 470877242 /nfs/dbraw/zinc/87/72/42/470877242.db2.gz FPOCYKMGUSZJOW-CVEARBPZSA-N 1 3 331.508 2.039 10 0 EEAEHO C[C@@H](N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1cc2n(n1)CCCC2 ZINC000647288497 470877244 /nfs/dbraw/zinc/87/72/44/470877244.db2.gz FPOCYKMGUSZJOW-CVEARBPZSA-N 1 3 331.508 2.039 10 0 EEAEHO C[C@@H](N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1cc2n(n1)CCCC2 ZINC000647288497 470877247 /nfs/dbraw/zinc/87/72/47/470877247.db2.gz FPOCYKMGUSZJOW-CVEARBPZSA-N 1 3 331.508 2.039 10 0 EEAEHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)C1 ZINC000650715343 470948961 /nfs/dbraw/zinc/94/89/61/470948961.db2.gz YSROKJRXYKLGFR-SJLPKXTDSA-N 1 3 347.478 2.420 10 0 EEAEHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2Cc2ccccc2F)C1 ZINC000650715343 470948963 /nfs/dbraw/zinc/94/89/63/470948963.db2.gz YSROKJRXYKLGFR-SJLPKXTDSA-N 1 3 347.478 2.420 10 0 EEAEHO CNS(=O)(=O)c1ccc([C@H](C)NCc2ccccc2C[NH2+]C)cc1 ZINC000650757959 470959835 /nfs/dbraw/zinc/95/98/35/470959835.db2.gz FLZAVCRCHBIGFY-AWEZNQCLSA-N 1 3 347.484 2.165 10 0 EEAEHO CN(Cc1ccccc1)C[C@H](O)CNC1CC([NH+]2CCCCC2)C1 ZINC000644636810 471001627 /nfs/dbraw/zinc/00/16/27/471001627.db2.gz WELKFXYDBFKHOY-SOAGJPPSSA-N 1 3 331.504 2.086 10 0 EEAEHO CN(C)CCN(Cc1cccs1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654660719 471118815 /nfs/dbraw/zinc/11/88/15/471118815.db2.gz DHSOIGXOEMAFAB-GASCZTMLSA-N 1 3 338.521 2.162 10 0 EEAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cnc([C@@H]2CCCO2)s1 ZINC000657574058 471173464 /nfs/dbraw/zinc/17/34/64/471173464.db2.gz XTZVBVWPLXBTIF-HOCLYGCPSA-N 1 3 340.537 2.356 10 0 EEAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3n[nH]c4ccccc43)cc2)C1 ZINC000657595586 471179518 /nfs/dbraw/zinc/17/95/18/471179518.db2.gz RFVNUSSQCRXDQR-KRWDZBQOSA-N 1 3 336.439 2.419 10 0 EEAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3n[nH]c4ccccc43)cc2)C1 ZINC000657595586 471179523 /nfs/dbraw/zinc/17/95/23/471179523.db2.gz RFVNUSSQCRXDQR-KRWDZBQOSA-N 1 3 336.439 2.419 10 0 EEAEHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCOCC(F)(F)C(F)F)C1 ZINC000652364017 471280130 /nfs/dbraw/zinc/28/01/30/471280130.db2.gz VKCOHIJMTXPUBX-FRRDWIJNSA-N 1 3 342.377 2.264 10 0 EEAEHO O=C1CC[C@@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)N1 ZINC000658257951 471280898 /nfs/dbraw/zinc/28/08/98/471280898.db2.gz UXESCRKNIDTKFI-INDMIFKZSA-N 1 3 327.472 2.298 10 0 EEAEHO O=C1CC[C@@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)N1 ZINC000658257951 471280899 /nfs/dbraw/zinc/28/08/99/471280899.db2.gz UXESCRKNIDTKFI-INDMIFKZSA-N 1 3 327.472 2.298 10 0 EEAEHO CC(C)C[NH2+]C1(CO)CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000660699502 471449050 /nfs/dbraw/zinc/44/90/50/471449050.db2.gz XMCYQVBNGIUFMK-FQEVSTJZSA-N 1 3 345.531 2.333 10 0 EEAEHO CC(C)C[NH2+]C1(CO)CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000660699504 471449703 /nfs/dbraw/zinc/44/97/03/471449703.db2.gz XMCYQVBNGIUFMK-HXUWFJFHSA-N 1 3 345.531 2.333 10 0 EEAEHO C[NH+]1CCC(CCNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659029384 471474100 /nfs/dbraw/zinc/47/41/00/471474100.db2.gz HOZMKKRDSHVKPB-SFHVURJKSA-N 1 3 346.475 2.201 10 0 EEAEHO O=C(CCOC1CNC1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253623 471552908 /nfs/dbraw/zinc/55/29/08/471552908.db2.gz ZJEGSFWBCMIWLC-UHFFFAOYSA-N 1 3 349.500 2.192 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC(C)(C)c1ccccc1 ZINC000663905288 471572097 /nfs/dbraw/zinc/57/20/97/471572097.db2.gz GQAJZTAOYRYPJC-INIZCTEOSA-N 1 3 334.508 2.493 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC(C)(C)c1ccccc1 ZINC000663905288 471572102 /nfs/dbraw/zinc/57/21/02/471572102.db2.gz GQAJZTAOYRYPJC-INIZCTEOSA-N 1 3 334.508 2.493 10 0 EEAEHO N[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[C@H]1F ZINC000659429559 471623358 /nfs/dbraw/zinc/62/33/58/471623358.db2.gz SGTOOHYGLXXPBO-QZTJIDSGSA-N 1 3 348.466 2.253 10 0 EEAEHO CCCCN(C[C@@H](O)C[N@H+](C)CC)[C@H]1CCc2ncsc2C1 ZINC000653776973 471737254 /nfs/dbraw/zinc/73/72/54/471737254.db2.gz SSTLBQMZJDEPOI-GJZGRUSLSA-N 1 3 325.522 2.415 10 0 EEAEHO CCCCN(C[C@@H](O)C[N@@H+](C)CC)[C@H]1CCc2ncsc2C1 ZINC000653776973 471737258 /nfs/dbraw/zinc/73/72/58/471737258.db2.gz SSTLBQMZJDEPOI-GJZGRUSLSA-N 1 3 325.522 2.415 10 0 EEAEHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CN(C3CC3)C[C@H]2C)cc1F ZINC000665259360 471983133 /nfs/dbraw/zinc/98/31/33/471983133.db2.gz CUXUCGYPWSITFU-SKSLQVBQSA-N 1 3 347.478 2.352 10 0 EEAEHO C[C@H]1C[C@@H](N(C)C(=O)C[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000662467757 472118861 /nfs/dbraw/zinc/11/88/61/472118861.db2.gz DXLJKEUNIYMKIN-UHOSZYNNSA-N 1 3 329.488 2.498 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)c2cc(C(C)(C)N)no2)[NH+](C)C)cc1 ZINC000662664260 472194320 /nfs/dbraw/zinc/19/43/20/472194320.db2.gz VYSGKSGPGUHIBE-HNNXBMFYSA-N 1 3 344.459 2.464 10 0 EEAEHO CC(C)[C@@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662717154 472219912 /nfs/dbraw/zinc/21/99/12/472219912.db2.gz XNKSDWBQCQKLRT-QZTJIDSGSA-N 1 3 329.488 2.388 10 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/nfs/dbraw/zinc/89/80/12/527898012.db2.gz KWTHZDRJZZBLAM-GBESFXJTSA-N 1 3 345.487 2.001 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CN1C1CC1 ZINC000896897576 685670012 /nfs/dbraw/zinc/67/00/12/685670012.db2.gz APORHLZTIIQAPS-YCEFEEMOSA-N 1 3 327.472 2.421 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CN1C1CC1 ZINC000896897576 685670016 /nfs/dbraw/zinc/67/00/16/685670016.db2.gz APORHLZTIIQAPS-YCEFEEMOSA-N 1 3 327.472 2.421 10 0 EEAEHO CCO[C@H](CN[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C)C[NH+](C)C ZINC000926958062 693043469 /nfs/dbraw/zinc/04/34/69/693043469.db2.gz DUVVMQPRMBXIRS-XHSDSOJGSA-N 1 3 343.512 2.331 10 0 EEAEHO CCc1ccccc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@@H]2C1 ZINC001485615757 1191863188 /nfs/dbraw/zinc/86/31/88/1191863188.db2.gz HPBBVXFSOGPHHB-HAGHYFMRSA-N 1 3 343.515 2.383 10 0 EEAEHO CCc1ccccc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@@H]2C1 ZINC001485615757 1191863190 /nfs/dbraw/zinc/86/31/90/1191863190.db2.gz HPBBVXFSOGPHHB-HAGHYFMRSA-N 1 3 343.515 2.383 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccccn1 ZINC001485750877 1191931613 /nfs/dbraw/zinc/93/16/13/1191931613.db2.gz DDQLVQVUNWFHDG-AEFFLSMTSA-N 1 3 332.492 2.331 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CCCCc2ccccc2)C1 ZINC001670725191 1177090815 /nfs/dbraw/zinc/09/08/15/1177090815.db2.gz XLIOGGZRJIJSJR-OALUTQOASA-N 1 3 329.488 2.152 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CCCCc2ccccc2)C1 ZINC001670725191 1177090821 /nfs/dbraw/zinc/09/08/21/1177090821.db2.gz XLIOGGZRJIJSJR-OALUTQOASA-N 1 3 329.488 2.152 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001731532781 1178825261 /nfs/dbraw/zinc/82/52/61/1178825261.db2.gz YSXXBHPKOIBCLH-CYBMUJFWSA-N 1 3 336.307 2.475 10 0 EEAEHO C[C@@H](c1cnccn1)N(C)C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001267593498 1179589603 /nfs/dbraw/zinc/58/96/03/1179589603.db2.gz MAAMFGXSOHDZDR-IRXDYDNUSA-N 1 3 347.507 2.050 10 0 EEAEHO Cc1cc(CN2CC[C@@H](CCNC(=O)CC[C@@H]3CCC[N@H+]3C)C2)on1 ZINC001481435158 1181333055 /nfs/dbraw/zinc/33/30/55/1181333055.db2.gz KOLJGBGRIMUYHX-SJORKVTESA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1cc(CN2CC[C@@H](CCNC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)on1 ZINC001481435158 1181333063 /nfs/dbraw/zinc/33/30/63/1181333063.db2.gz KOLJGBGRIMUYHX-SJORKVTESA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1oncc1CN1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481442981 1181357283 /nfs/dbraw/zinc/35/72/83/1181357283.db2.gz NTSRYSGXTZYOOQ-INIZCTEOSA-N 1 3 348.491 2.186 10 0 EEAEHO C[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1CNCCF ZINC001268196651 1181993837 /nfs/dbraw/zinc/99/38/37/1181993837.db2.gz STONOSVQWZKYCW-QAPCUYQASA-N 1 3 339.499 2.295 10 0 EEAEHO Cc1cc(CN2CC[C@H]3CN(C(=O)CCCC[NH+](C)C)CC[C@H]32)on1 ZINC001268272764 1182122144 /nfs/dbraw/zinc/12/21/44/1182122144.db2.gz VWXDSKVVVGRMPO-FUHWJXTLSA-N 1 3 348.491 2.138 10 0 EEAEHO Cc1csc(CNCC[C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)n1 ZINC001268374206 1182378563 /nfs/dbraw/zinc/37/85/63/1182378563.db2.gz OQCKGOBRTZMHFZ-HIFRSBDPSA-N 1 3 338.521 2.310 10 0 EEAEHO Cc1csc(CNCC[C@@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)n1 ZINC001268374206 1182378571 /nfs/dbraw/zinc/37/85/71/1182378571.db2.gz OQCKGOBRTZMHFZ-HIFRSBDPSA-N 1 3 338.521 2.310 10 0 EEAEHO CN(C(=O)CC[NH+](C)C)[C@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC001481739859 1182460903 /nfs/dbraw/zinc/46/09/03/1182460903.db2.gz GFHRONHCRUKTNN-SFHVURJKSA-N 1 3 340.471 2.219 10 0 EEAEHO CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001268475943 1182881472 /nfs/dbraw/zinc/88/14/72/1182881472.db2.gz AODJWMYHBRUQHX-IBGZPJMESA-N 1 3 331.504 2.454 10 0 EEAEHO Cc1ncoc1CNCC1(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCC1 ZINC001481912925 1182937132 /nfs/dbraw/zinc/93/71/32/1182937132.db2.gz KXXDJKJJIYMFOX-HUUCEWRRSA-N 1 3 348.491 2.374 10 0 EEAEHO C[C@H](NC/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(F)cc1 ZINC001268538703 1183199890 /nfs/dbraw/zinc/19/98/90/1183199890.db2.gz MGIZIYNIDXRSJP-JDDKEMAESA-N 1 3 345.462 2.491 10 0 EEAEHO CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/CNCc1cncc(C)c1 ZINC001268630128 1183554962 /nfs/dbraw/zinc/55/49/62/1183554962.db2.gz FXZWVORQXQNBGE-QWNKOJSDSA-N 1 3 330.476 2.026 10 0 EEAEHO CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C/CNCc1cncc(C)c1 ZINC001268630128 1183554964 /nfs/dbraw/zinc/55/49/64/1183554964.db2.gz FXZWVORQXQNBGE-QWNKOJSDSA-N 1 3 330.476 2.026 10 0 EEAEHO CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\CNCc1cncc(C)c1 ZINC001268630129 1183555491 /nfs/dbraw/zinc/55/54/91/1183555491.db2.gz FXZWVORQXQNBGE-XFHJGTJQSA-N 1 3 330.476 2.026 10 0 EEAEHO CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C\CNCc1cncc(C)c1 ZINC001268630129 1183555495 /nfs/dbraw/zinc/55/54/95/1183555495.db2.gz FXZWVORQXQNBGE-XFHJGTJQSA-N 1 3 330.476 2.026 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]CCc1ccccc1Cl ZINC001268674714 1183600873 /nfs/dbraw/zinc/60/08/73/1183600873.db2.gz YJACLHXVJXOSGO-CQSZACIVSA-N 1 3 325.884 2.317 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001269323997 1184169445 /nfs/dbraw/zinc/16/94/45/1184169445.db2.gz FSSDOTMOKMRNEB-ZWKOTPCHSA-N 1 3 339.524 2.209 10 0 EEAEHO CCOCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001269323997 1184169449 /nfs/dbraw/zinc/16/94/49/1184169449.db2.gz FSSDOTMOKMRNEB-ZWKOTPCHSA-N 1 3 339.524 2.209 10 0 EEAEHO CC(C)[C@@H](C(=O)NCC1(NCc2ccnc(Cl)c2)CC1)[NH+](C)C ZINC001269523083 1184347182 /nfs/dbraw/zinc/34/71/82/1184347182.db2.gz XIQDQXSOCPJWNI-HNNXBMFYSA-N 1 3 338.883 2.060 10 0 EEAEHO CCc1nocc1C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001269712333 1184544837 /nfs/dbraw/zinc/54/48/37/1184544837.db2.gz PBBQJDFGDRSBRJ-YJBOKZPZSA-N 1 3 348.491 2.050 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccns2)C1)N(C)C ZINC001269791355 1184624631 /nfs/dbraw/zinc/62/46/31/1184624631.db2.gz OQUBCLLLFCEPQG-HOCLYGCPSA-N 1 3 338.521 2.202 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001270020388 1184791557 /nfs/dbraw/zinc/79/15/57/1184791557.db2.gz ASYMVQLDSARRME-WMZOPIPTSA-N 1 3 333.451 2.043 10 0 EEAEHO C[C@@H]([NH2+]CCCc1ccccc1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001271529401 1186293407 /nfs/dbraw/zinc/29/34/07/1186293407.db2.gz FLPKCFKSQNHTIN-SJLPKXTDSA-N 1 3 340.471 2.412 10 0 EEAEHO CCOCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1nc[nH]c1C)C2 ZINC001271750881 1186460015 /nfs/dbraw/zinc/46/00/15/1186460015.db2.gz WHCDJFDDNNQHPI-BJWYYQGGSA-N 1 3 348.491 2.046 10 0 EEAEHO CCOCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1nc[nH]c1C)C2 ZINC001271750881 1186460018 /nfs/dbraw/zinc/46/00/18/1186460018.db2.gz WHCDJFDDNNQHPI-BJWYYQGGSA-N 1 3 348.491 2.046 10 0 EEAEHO CCN(CC[NH2+]CCCc1cccc(C)c1)C(=O)[C@H]1CCCN1C ZINC001482914102 1187839959 /nfs/dbraw/zinc/83/99/59/1187839959.db2.gz IWCAROFJHXYFTC-LJQANCHMSA-N 1 3 331.504 2.460 10 0 EEAEHO CCN(CCNCc1ccnc(Cl)c1)C(=O)C1(C[NH+](C)C)CC1 ZINC001482948891 1187888367 /nfs/dbraw/zinc/88/83/67/1187888367.db2.gz SEJYCFOUJKXKRW-UHFFFAOYSA-N 1 3 338.883 2.015 10 0 EEAEHO Cc1cccc(C[NH2+]C/C=C\CNC(=O)CN2CCC(C)CC2)c1 ZINC001483079007 1188439674 /nfs/dbraw/zinc/43/96/74/1188439674.db2.gz UUBFDLDQFFQZNN-ARJAWSKDSA-N 1 3 329.488 2.489 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)C1(N(C)C)CCC1 ZINC001272830429 1193567992 /nfs/dbraw/zinc/56/79/92/1193567992.db2.gz PNIYLOAKMIFWHU-HNNXBMFYSA-N 1 3 345.487 2.186 10 0 EEAEHO Cc1nn(C(C)C)cc1CNC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001483227204 1189505260 /nfs/dbraw/zinc/50/52/60/1189505260.db2.gz XBKJDWCSNPLIMS-MAUKXSAKSA-N 1 3 349.523 2.240 10 0 EEAEHO Cc1nn(C(C)C)cc1CNC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001483227204 1189505264 /nfs/dbraw/zinc/50/52/64/1189505264.db2.gz XBKJDWCSNPLIMS-MAUKXSAKSA-N 1 3 349.523 2.240 10 0 EEAEHO C[C@@H](CNCc1cccnc1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001483227745 1189517622 /nfs/dbraw/zinc/51/76/22/1189517622.db2.gz RWSMRWVNOHQWJS-WMZOPIPTSA-N 1 3 344.503 2.331 10 0 EEAEHO C[C@@H](CNCc1cccnc1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001483227745 1189517624 /nfs/dbraw/zinc/51/76/24/1189517624.db2.gz RWSMRWVNOHQWJS-WMZOPIPTSA-N 1 3 344.503 2.331 10 0 EEAEHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1cc(C)ns1)N(C)C ZINC001409449906 1189697182 /nfs/dbraw/zinc/69/71/82/1189697182.db2.gz PBYWGUHWRCMTCC-OAHLLOKOSA-N 1 3 340.537 2.366 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]Cc1cccc2cccnc21 ZINC001483296821 1190319171 /nfs/dbraw/zinc/31/91/71/1190319171.db2.gz RMHJARYFMLANKQ-HNNXBMFYSA-N 1 3 328.460 2.169 10 0 EEAEHO Cc1ncoc1C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001483437899 1190479416 /nfs/dbraw/zinc/47/94/16/1190479416.db2.gz QSOWRRNBPJRMBT-HOTGVXAUSA-N 1 3 348.491 2.232 10 0 EEAEHO CN(CCC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)CN(C)C1CCC1 ZINC001483470168 1190491747 /nfs/dbraw/zinc/49/17/47/1190491747.db2.gz MGSZRZVHURIYHW-CQSZACIVSA-N 1 3 331.451 2.344 10 0 EEAEHO Cc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2CC2)c(C)n1 ZINC001483586589 1190572407 /nfs/dbraw/zinc/57/24/07/1190572407.db2.gz WEGDDLVDMDRROT-RTBURBONSA-N 1 3 346.519 2.269 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(Cl)nc2)C[C@@H]1C ZINC001486138541 1193692559 /nfs/dbraw/zinc/69/25/59/1193692559.db2.gz YGGWUDPRRHMLQI-DZGCQCFKSA-N 1 3 338.883 2.154 10 0 EEAEHO Cc1cccc(OCC[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC001483941315 1191125198 /nfs/dbraw/zinc/12/51/98/1191125198.db2.gz SULNZBREWLDVRX-IEBWSBKVSA-N 1 3 345.487 2.049 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(CNCc3cc(C)no3)C2)CC[N@@H+]1C ZINC001484092925 1191207416 /nfs/dbraw/zinc/20/74/16/1191207416.db2.gz CKQGXKIYRYKXIH-SCTDSRPQSA-N 1 3 348.491 2.042 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(CNCc3cc(C)no3)C2)CC[N@H+]1C ZINC001484092925 1191207418 /nfs/dbraw/zinc/20/74/18/1191207418.db2.gz CKQGXKIYRYKXIH-SCTDSRPQSA-N 1 3 348.491 2.042 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(F)cc2)C1 ZINC001484359611 1191315454 /nfs/dbraw/zinc/31/54/54/1191315454.db2.gz XDUVDVBIFKDULB-DOTOQJQBSA-N 1 3 335.467 2.493 10 0 EEAEHO CC[C@@H](F)CNCCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001484401128 1191335354 /nfs/dbraw/zinc/33/53/54/1191335354.db2.gz GHODNIXWOMAUEW-QZTJIDSGSA-N 1 3 335.467 2.305 10 0 EEAEHO CC[C@@H](F)CNCCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001484401128 1191335356 /nfs/dbraw/zinc/33/53/56/1191335356.db2.gz GHODNIXWOMAUEW-QZTJIDSGSA-N 1 3 335.467 2.305 10 0 EEAEHO CCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001484971925 1191597197 /nfs/dbraw/zinc/59/71/97/1191597197.db2.gz JPZPGLOJGZTRLO-IRXDYDNUSA-N 1 3 339.524 2.257 10 0 EEAEHO CCOCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001484971925 1191597198 /nfs/dbraw/zinc/59/71/98/1191597198.db2.gz JPZPGLOJGZTRLO-IRXDYDNUSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1ncsc1CN[C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485201990 1191683813 /nfs/dbraw/zinc/68/38/13/1191683813.db2.gz ZHHBTGLERYETMV-CHWSQXEVSA-N 1 3 338.521 2.166 10 0 EEAEHO CN(C(=O)[C@H]1CCCN1C)C1CCC([NH2+]CCOC2CCC2)CC1 ZINC001485237928 1191702083 /nfs/dbraw/zinc/70/20/83/1191702083.db2.gz WSHNJNXHPLGFSB-LEOMRAHMSA-N 1 3 337.508 2.009 10 0 EEAEHO COCc1cccc(CN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001485305393 1191735891 /nfs/dbraw/zinc/73/58/91/1191735891.db2.gz CHYYKFFJJICWRU-FRQCXROJSA-N 1 3 347.503 2.110 10 0 EEAEHO COCc1cccc(CN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001485305393 1191735893 /nfs/dbraw/zinc/73/58/93/1191735893.db2.gz CHYYKFFJJICWRU-FRQCXROJSA-N 1 3 347.503 2.110 10 0 EEAEHO Cc1ncoc1CNC[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001486220725 1193758216 /nfs/dbraw/zinc/75/82/16/1193758216.db2.gz OPEMRIBKECHCOB-DLBZAZTESA-N 1 3 348.491 2.234 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCC2CCOCC2)C1 ZINC001486221617 1193758986 /nfs/dbraw/zinc/75/89/86/1193758986.db2.gz UWVYXYHKKFEISJ-QZTJIDSGSA-N 1 3 339.524 2.018 10 0 EEAEHO CC[C@H](C[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)N(C)C)CC1)OC ZINC001486446531 1193961170 /nfs/dbraw/zinc/96/11/70/1193961170.db2.gz OOSFFYTWGHTAMX-JQHSSLGASA-N 1 3 341.540 2.214 10 0 EEAEHO CC(C)(O)C[C@H](O)CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000872208064 1198087556 /nfs/dbraw/zinc/08/75/56/1198087556.db2.gz BPQPTZRLBPMESC-OALUTQOASA-N 1 3 334.504 2.400 10 0 EEAEHO CC(C)(O)C[C@H](O)CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000872208064 1198087565 /nfs/dbraw/zinc/08/75/65/1198087565.db2.gz BPQPTZRLBPMESC-OALUTQOASA-N 1 3 334.504 2.400 10 0 EEAEHO CC(C)(O)C[C@H](O)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000872208064 1198087574 /nfs/dbraw/zinc/08/75/74/1198087574.db2.gz BPQPTZRLBPMESC-OALUTQOASA-N 1 3 334.504 2.400 10 0 EEAEHO Cc1ccncc1CN1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001410905344 1198562567 /nfs/dbraw/zinc/56/25/67/1198562567.db2.gz PKNXBZAVASHTQD-AZUAARDMSA-N 1 3 344.503 2.345 10 0 EEAEHO Cc1cc(CN[C@@H]2CN(C(=O)CCC[NH+](C)C)CC2(C)C)sn1 ZINC001410984808 1198660726 /nfs/dbraw/zinc/66/07/26/1198660726.db2.gz MTXVDGVPEJYLAP-OAHLLOKOSA-N 1 3 338.521 2.120 10 0 EEAEHO Cn1ncc(CCC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)n1 ZINC000886614178 1202534308 /nfs/dbraw/zinc/53/43/08/1202534308.db2.gz OXVNXSDVHDRIGY-SXLOBPIMSA-N 1 3 339.487 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ZINC001276259395 1205859290 /nfs/dbraw/zinc/85/92/90/1205859290.db2.gz WVYPSQYSHSFJSU-KRWDZBQOSA-N 1 3 336.480 2.184 10 0 EEAEHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000925106302 1206070207 /nfs/dbraw/zinc/07/02/07/1206070207.db2.gz ILDINPLAFJQZGS-YOFSQIOKSA-N 1 3 341.499 2.469 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000925326825 1206097565 /nfs/dbraw/zinc/09/75/65/1206097565.db2.gz NHIZITZWEFZXGI-LMMKCTJWSA-N 1 3 344.503 2.385 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000925326825 1206097568 /nfs/dbraw/zinc/09/75/68/1206097568.db2.gz NHIZITZWEFZXGI-LMMKCTJWSA-N 1 3 344.503 2.385 10 0 EEAEHO COc1ccc([C@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1F ZINC000925854590 1206161224 /nfs/dbraw/zinc/16/12/24/1206161224.db2.gz NHLQXWXVLBZEOD-JSGCOSHPSA-N 1 3 336.407 2.170 10 0 EEAEHO CN(C)c1ccc(NC(=O)CCN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000795311783 1212501513 /nfs/dbraw/zinc/50/15/13/1212501513.db2.gz SPCUCYVAWKBRPY-LJQANCHMSA-N 1 3 330.476 2.109 10 0 EEAEHO CN(C)c1ccc(NC(=O)CCN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000795311783 1212501527 /nfs/dbraw/zinc/50/15/27/1212501527.db2.gz SPCUCYVAWKBRPY-LJQANCHMSA-N 1 3 330.476 2.109 10 0 EEAEHO CC[NH+](CC)C[C@H](C)NC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000827777406 1248708589 /nfs/dbraw/zinc/70/85/89/1248708589.db2.gz SLNHKXWLEKUVNA-GXTWGEPZSA-N 1 3 326.872 2.280 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCOC(C)C)C1 ZINC001491108959 1258696588 /nfs/dbraw/zinc/69/65/88/1258696588.db2.gz FKCBXQYKTVPUKO-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCOC(C)C)C1 ZINC001491108959 1258696592 /nfs/dbraw/zinc/69/65/92/1258696592.db2.gz FKCBXQYKTVPUKO-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1ccc(Cl)nc1 ZINC001491472525 1259117676 /nfs/dbraw/zinc/11/76/76/1259117676.db2.gz CERQYGOJRJIEPB-HIFRSBDPSA-N 1 3 338.883 2.204 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1ccc(Cl)nc1 ZINC001491472525 1259117678 /nfs/dbraw/zinc/11/76/78/1259117678.db2.gz CERQYGOJRJIEPB-HIFRSBDPSA-N 1 3 338.883 2.204 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CCCCCF)C1 ZINC001490549768 1291423526 /nfs/dbraw/zinc/42/35/26/1291423526.db2.gz GLTRTZZONLAPAA-DLBZAZTESA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CCCCCF)C1 ZINC001490549768 1291423531 /nfs/dbraw/zinc/42/35/31/1291423531.db2.gz GLTRTZZONLAPAA-DLBZAZTESA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)[C@@H](C(=O)NC[C@@H](NCc1ccccn1)C1CC1)[NH+]1CCCC1 ZINC001490740751 1291653754 /nfs/dbraw/zinc/65/37/54/1291653754.db2.gz FWQINURWTFONHE-MOPGFXCFSA-N 1 3 344.503 2.186 10 0 EEAEHO Cc1ccc2c(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c[nH]c2c1 ZINC000855346192 1293184699 /nfs/dbraw/zinc/18/46/99/1293184699.db2.gz RDTJIBRRONWDBH-INIZCTEOSA-N 1 3 344.503 2.407 10 0 EEAEHO Cc1ccc2c(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c[nH]c2c1 ZINC000855346192 1293184703 /nfs/dbraw/zinc/18/47/03/1293184703.db2.gz RDTJIBRRONWDBH-INIZCTEOSA-N 1 3 344.503 2.407 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)NCc2ccc3c(c2)C[NH2+]C3)cc(Cl)n1 ZINC000841851137 1315623293 /nfs/dbraw/zinc/62/32/93/1315623293.db2.gz GDWGJUDGGAUEPH-INIZCTEOSA-N 1 3 344.846 2.353 10 0 EEAEHO CC(C)=CCN1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001278526319 1317142835 /nfs/dbraw/zinc/14/28/35/1317142835.db2.gz ICIGXDQLNAFHQW-FUHWJXTLSA-N 1 3 337.508 2.033 10 0 EEAEHO CC(C)[C@H](C(=O)NCCC[N@H+](C)C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001265956240 1323518441 /nfs/dbraw/zinc/51/84/41/1323518441.db2.gz GNNQSPWLCODEIE-HUUCEWRRSA-N 1 3 333.467 2.446 10 0 EEAEHO CC(C)[C@H](C(=O)NCCC[N@@H+](C)C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001265956240 1323518445 /nfs/dbraw/zinc/51/84/45/1323518445.db2.gz GNNQSPWLCODEIE-HUUCEWRRSA-N 1 3 333.467 2.446 10 0 EEAEHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCOC3CCC3)C2)CCC1 ZINC001266060251 1323612720 /nfs/dbraw/zinc/61/27/20/1323612720.db2.gz SHJRSNNKQBGOSG-JKSUJKDBSA-N 1 3 337.508 2.057 10 0 EEAEHO O=C(CN1CCCC1)N1CC[C@@H](CC[NH2+]CCc2ccccc2F)C1 ZINC001280297123 1324148255 /nfs/dbraw/zinc/14/82/55/1324148255.db2.gz QWYNFUDTVWGISV-QGZVFWFLSA-N 1 3 347.478 2.292 10 0 EEAEHO COCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001280733136 1324453681 /nfs/dbraw/zinc/45/36/81/1324453681.db2.gz NABQZSMDWMAMCK-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO COCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001280733136 1324453683 /nfs/dbraw/zinc/45/36/83/1324453683.db2.gz NABQZSMDWMAMCK-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO CCCCOCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001280996947 1324704945 /nfs/dbraw/zinc/70/49/45/1324704945.db2.gz YBXPRSWQLRDJAD-KRWDZBQOSA-N 1 3 339.524 2.258 10 0 EEAEHO CCn1ccc(CNC2(C)CCN(C(=O)CCCC[NH+](C)C)CC2)n1 ZINC001281526721 1325227371 /nfs/dbraw/zinc/22/73/71/1325227371.db2.gz HNZJHXYYFNXRML-UHFFFAOYSA-N 1 3 349.523 2.106 10 0 EEAEHO CC(C)COCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001282270224 1325673214 /nfs/dbraw/zinc/67/32/14/1325673214.db2.gz MEFLZOPHCZKLKY-DAWZGUTISA-N 1 3 339.524 2.112 10 0 EEAEHO C[C@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001283042949 1325896933 /nfs/dbraw/zinc/89/69/33/1325896933.db2.gz ABHQKCFZMZTWNS-JYJNAYRXSA-N 1 3 327.488 2.483 10 0 EEAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1=CCN(CCOC2CCC2)CC1 ZINC001284928939 1326780468 /nfs/dbraw/zinc/78/04/68/1326780468.db2.gz SDYLBAMTNFUADQ-SFHVURJKSA-N 1 3 349.519 2.178 10 0 EEAEHO C[N@H+]1CCC[C@H]1CCC(=O)NCC1=CCN(CCOC2CCC2)CC1 ZINC001284928939 1326780472 /nfs/dbraw/zinc/78/04/72/1326780472.db2.gz SDYLBAMTNFUADQ-SFHVURJKSA-N 1 3 349.519 2.178 10 0 EEAEHO Cc1ncoc1CN[C@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001492129920 1330983063 /nfs/dbraw/zinc/98/30/63/1330983063.db2.gz UZBOONXQTWDNPL-PBHICJAKSA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1cc(C)cc(CN(C)CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001492257682 1331119374 /nfs/dbraw/zinc/11/93/74/1331119374.db2.gz SCFRNNWQGNKURV-LJQANCHMSA-N 1 3 329.488 2.193 10 0 EEAEHO CCN(CCCNC(=O)C12CCC[NH+]1CCC2)Cc1cncc(C)c1 ZINC001316895521 1331962441 /nfs/dbraw/zinc/96/24/41/1331962441.db2.gz MILRDLZOPRCJID-UHFFFAOYSA-N 1 3 344.503 2.347 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC001317297044 1332168735 /nfs/dbraw/zinc/16/87/35/1332168735.db2.gz MJSICPAPRXKCEB-PKOBYXMFSA-N 1 3 345.487 2.130 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCOC(C)C ZINC001319132564 1332654281 /nfs/dbraw/zinc/65/42/81/1332654281.db2.gz PZAYDRPCZIHTEJ-QZTJIDSGSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1cc(C)c(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)c(C)c1 ZINC001321187236 1333039744 /nfs/dbraw/zinc/03/97/44/1333039744.db2.gz AQYXYFBZERDQNG-SFFCAUCYSA-N 1 3 329.488 2.468 10 0 EEAEHO C[C@@H](NC/C=C\CNC(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001321230449 1333050323 /nfs/dbraw/zinc/05/03/23/1333050323.db2.gz CMBZQNGKOSVHDP-ABCZVMIZSA-N 1 3 333.451 2.491 10 0 EEAEHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC/C=C/CNCc2cccnc2)C1 ZINC001321248278 1333054867 /nfs/dbraw/zinc/05/48/67/1333054867.db2.gz AIMYDFMOUGRWFZ-PXPVJAHISA-N 1 3 348.466 2.056 10 0 EEAEHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC/C=C/CNCc2cccnc2)C1 ZINC001321248278 1333054870 /nfs/dbraw/zinc/05/48/70/1333054870.db2.gz AIMYDFMOUGRWFZ-PXPVJAHISA-N 1 3 348.466 2.056 10 0 EEAEHO Cc1cccc(CCC[NH2+]C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)c1 ZINC001321991420 1333191807 /nfs/dbraw/zinc/19/18/07/1333191807.db2.gz NPAWEPKHXHZRKP-MSOLQXFVSA-N 1 3 331.504 2.364 10 0 EEAEHO Cc1ccccc1OCC[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001324286077 1333649968 /nfs/dbraw/zinc/64/99/68/1333649968.db2.gz NZVZDCFNPKJJDH-SFHVURJKSA-N 1 3 347.503 2.295 10 0 EEAEHO CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CCO1 ZINC001327034615 1334208178 /nfs/dbraw/zinc/20/81/78/1334208178.db2.gz MIMKANGWYVWCRX-QZTJIDSGSA-N 1 3 339.524 2.258 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@@](CO)([NH2+]CCCC(C)(C)C)C1)N(C)C ZINC001327568628 1334316360 /nfs/dbraw/zinc/31/63/60/1334316360.db2.gz HQTCSJHEVNLHPP-VQIMIIECSA-N 1 3 341.540 2.096 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CCCc3ccccc3)C2)C1 ZINC001330655893 1334883095 /nfs/dbraw/zinc/88/30/95/1334883095.db2.gz MIWMOWMEXCSJDX-MISYRCLQSA-N 1 3 343.515 2.445 10 0 EEAEHO Cc1nc(C)c(CNCCC[C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)o1 ZINC001330822613 1334909858 /nfs/dbraw/zinc/90/98/58/1334909858.db2.gz VBSUVSACBBHLCB-DYVFJYSZSA-N 1 3 348.491 2.008 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCF)C(C)(C)C1 ZINC001332427031 1335822125 /nfs/dbraw/zinc/82/21/25/1335822125.db2.gz HSXCTOKCJWSHPY-HOTGVXAUSA-N 1 3 327.488 2.436 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)CC[C@H]1CCCCO1 ZINC001479816673 1337399512 /nfs/dbraw/zinc/39/95/12/1337399512.db2.gz WVZLBZNPHXKVJW-MSOLQXFVSA-N 1 3 339.524 2.258 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CC[C@H]1CCCCO1 ZINC001479816673 1337399515 /nfs/dbraw/zinc/39/95/15/1337399515.db2.gz WVZLBZNPHXKVJW-MSOLQXFVSA-N 1 3 339.524 2.258 10 0 EEAEHO C[C@@H](CC[NH2+]Cc1cncs1)NC(=O)CN(C)CC(C)(C)C ZINC001668214612 1355900612 /nfs/dbraw/zinc/90/06/12/1355900612.db2.gz MKINWAZIZYYGFO-ZDUSSCGKSA-N 1 3 326.510 2.105 10 0 EEAEHO C[C@H](CC[NH2+]Cc1cncs1)NC(=O)CN(C)CC(C)(C)C ZINC001668214611 1355900724 /nfs/dbraw/zinc/90/07/24/1355900724.db2.gz MKINWAZIZYYGFO-CYBMUJFWSA-N 1 3 326.510 2.105 10 0 EEAEHO Cc1ncc(CNC[C@]2(C)CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)o1 ZINC001500372756 1342181606 /nfs/dbraw/zinc/18/16/06/1342181606.db2.gz UCEFCNHOYFQKAP-QOKNQOGYSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1ncc(CNC[C@]2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)o1 ZINC001500372756 1342181611 /nfs/dbraw/zinc/18/16/11/1342181611.db2.gz UCEFCNHOYFQKAP-QOKNQOGYSA-N 1 3 348.491 2.042 10 0 EEAEHO CN(CC(=O)N1CC[C@@H](C[NH2+]CCc2cccs2)C1)C1CCC1 ZINC001567128882 1342697464 /nfs/dbraw/zinc/69/74/64/1342697464.db2.gz XAIIIODQKLPFSU-HNNXBMFYSA-N 1 3 335.517 2.213 10 0 EEAEHO C[C@@H]1C[C@H](NCc2nccs2)CCN1C(=O)CCCC[NH+](C)C ZINC001671251031 1353941696 /nfs/dbraw/zinc/94/16/96/1353941696.db2.gz IDHJJGOXWNCHBX-HUUCEWRRSA-N 1 3 338.521 2.344 10 0 EEAEHO CC(C)OCCCN1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001661027832 1354576020 /nfs/dbraw/zinc/57/60/20/1354576020.db2.gz CROBYANRQNPMMM-ROUUACIJSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001661027832 1354576021 /nfs/dbraw/zinc/57/60/21/1354576021.db2.gz CROBYANRQNPMMM-ROUUACIJSA-N 1 3 339.524 2.257 10 0 EEAEHO CC(C)OCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001661027832 1354576025 /nfs/dbraw/zinc/57/60/25/1354576025.db2.gz CROBYANRQNPMMM-ROUUACIJSA-N 1 3 339.524 2.257 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CCCCOC)CC[C@@H]21 ZINC001661554891 1354656787 /nfs/dbraw/zinc/65/67/87/1354656787.db2.gz HRLJZRFDUFSAMI-ROUUACIJSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CCCCOC)CC[C@@H]21 ZINC001661554891 1354656792 /nfs/dbraw/zinc/65/67/92/1354656792.db2.gz HRLJZRFDUFSAMI-ROUUACIJSA-N 1 3 339.524 2.068 10 0 EEAEHO Cc1ccc(CNCCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)c(C)n1 ZINC001663928015 1355055314 /nfs/dbraw/zinc/05/53/14/1355055314.db2.gz OTSMBMIEHXEIHN-GOSISDBHSA-N 1 3 332.492 2.119 10 0 EEAEHO Cc1ccc(CNCCN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)c(C)n1 ZINC001663928015 1355055316 /nfs/dbraw/zinc/05/53/16/1355055316.db2.gz OTSMBMIEHXEIHN-GOSISDBHSA-N 1 3 332.492 2.119 10 0 EEAEHO Cc1nn(C(C)C)cc1CNCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001664391334 1355153214 /nfs/dbraw/zinc/15/32/14/1355153214.db2.gz IMILSVKHKUMLSQ-HZPDHXFCSA-N 1 3 349.523 2.193 10 0 EEAEHO C[C@H](CC[NH2+]C[C@H]1CCCOC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001668060670 1355859380 /nfs/dbraw/zinc/85/93/80/1355859380.db2.gz QLTNHWOLWFVHQS-IAGOWNOFSA-N 1 3 339.524 2.162 10 0 EEAEHO Cc1ncc(CNCC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)o1 ZINC001668116926 1355875027 /nfs/dbraw/zinc/87/50/27/1355875027.db2.gz BNVZZDSOHIYKHX-RHSMWYFYSA-N 1 3 336.480 2.088 10 0 EEAEHO Cc1ncc(CNCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)o1 ZINC001668116926 1355875030 /nfs/dbraw/zinc/87/50/30/1355875030.db2.gz BNVZZDSOHIYKHX-RHSMWYFYSA-N 1 3 336.480 2.088 10 0 EEAEHO C[C@H](CC[NH2+]CC[C@@H]1CCOC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001699101818 1405254573 /nfs/dbraw/zinc/25/45/73/1405254573.db2.gz XQGJGTMWYSGBOA-IAGOWNOFSA-N 1 3 339.524 2.162 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@@](C)(C[NH2+]CCCF)C2)C1 ZINC001699843705 1405523286 /nfs/dbraw/zinc/52/32/86/1405523286.db2.gz COTFDGGQIMGSCH-ZWKOTPCHSA-N 1 3 345.478 2.387 10 0 EEAEHO CCC1(C[NH2+]CCS(C)(=O)=O)CCN(Cc2ccccc2)CC1 ZINC000819191311 785455405 /nfs/dbraw/zinc/45/54/05/785455405.db2.gz WYZBLLLDDVNRLO-UHFFFAOYSA-N 1 3 338.517 2.313 10 0 EEAEHO CCCCN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCS(=O)(=O)C1 ZINC000923298937 789331773 /nfs/dbraw/zinc/33/17/73/789331773.db2.gz ZWYLQGODFCRKTC-NPYXIHBLSA-N 1 3 328.522 2.196 10 0 EEAEHO COc1cccc(CN(C[C@H]2CCCO2)C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923309068 789365558 /nfs/dbraw/zinc/36/55/58/789365558.db2.gz QGJZVXDCRQNLLP-MOPGFXCFSA-N 1 3 346.471 2.055 10 0 EEAEHO Cc1ccc(N2CCN(C[C@@H]3CC4(C[NH2+]C4)CO3)[C@H](C)C2)cc1C ZINC000923324380 789382891 /nfs/dbraw/zinc/38/28/91/789382891.db2.gz GJWPPYTVWVNVPK-MJGOQNOKSA-N 1 3 329.488 2.192 10 0 EEAEHO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716726589 796448552 /nfs/dbraw/zinc/44/85/52/796448552.db2.gz DEGDMOOEHCELJE-XFUTXVRSSA-N 1 3 327.472 2.296 10 0 EEAEHO Cc1ccc(CC[NH2+][C@H]2C[C@H](CNC(=O)CN(C)C(C)C)C2)cc1 ZINC001436401304 1087747719 /nfs/dbraw/zinc/74/77/19/1087747719.db2.gz GHIMSCHFIZELEN-WGSAOQKQSA-N 1 3 331.504 2.362 10 0 EEAEHO CCc1nocc1CN[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001436802516 1088382217 /nfs/dbraw/zinc/38/22/17/1088382217.db2.gz ODSSEQGEFWOVQN-KRWDZBQOSA-N 1 3 348.491 2.096 10 0 EEAEHO CCc1ccccc1CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001436961873 1088652580 /nfs/dbraw/zinc/65/25/80/1088652580.db2.gz YYKXGENJEFXBOZ-CEXWTWQISA-N 1 3 331.504 2.369 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ccccc3C2)C1)N(C)C ZINC001436977052 1088673095 /nfs/dbraw/zinc/67/30/95/1088673095.db2.gz QZIXXJRBKFEZCD-XCLNPWKQSA-N 1 3 343.515 2.369 10 0 EEAEHO Cc1cccc(C)c1CN(C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001437458910 1089771395 /nfs/dbraw/zinc/77/13/95/1089771395.db2.gz RIYPDSUVUNXPGE-IBGZPJMESA-N 1 3 329.488 2.193 10 0 EEAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]Cc1cncc(C)c1 ZINC001438320368 1090795782 /nfs/dbraw/zinc/79/57/82/1090795782.db2.gz FVLHSWGIRNNBMD-QGZVFWFLSA-N 1 3 332.492 2.249 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC2(CNCc3ccc(F)cn3)CCCC2)C1 ZINC001438407858 1090895205 /nfs/dbraw/zinc/89/52/05/1090895205.db2.gz XZZNEDMGFVOHCB-OAHLLOKOSA-N 1 3 348.466 2.081 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC2(CNCc3ccc(F)cn3)CCCC2)C1 ZINC001438407858 1090895213 /nfs/dbraw/zinc/89/52/13/1090895213.db2.gz XZZNEDMGFVOHCB-OAHLLOKOSA-N 1 3 348.466 2.081 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1cc(F)cc(F)c1 ZINC001445559708 1091334696 /nfs/dbraw/zinc/33/46/96/1091334696.db2.gz YZYVFAGOMISNAQ-SUMWQHHRSA-N 1 3 339.430 2.434 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1cc(F)cc(F)c1 ZINC001445559708 1091334699 /nfs/dbraw/zinc/33/46/99/1091334699.db2.gz YZYVFAGOMISNAQ-SUMWQHHRSA-N 1 3 339.430 2.434 10 0 EEAEHO Cc1ncsc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001438956925 1091649642 /nfs/dbraw/zinc/64/96/42/1091649642.db2.gz FMKXYGGZPIFWGX-LSDHHAIUSA-N 1 3 338.521 2.166 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCc2ccccc2C1)N(C)C ZINC001439222892 1091867970 /nfs/dbraw/zinc/86/79/70/1091867970.db2.gz BMKJUMVODDFDAI-TXPKVOOTSA-N 1 3 331.504 2.226 10 0 EEAEHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H](CNCc1cncc(F)c1)C1CC1 ZINC001445954478 1091899318 /nfs/dbraw/zinc/89/93/18/1091899318.db2.gz CFSNYZSGFPYDQD-ROUUACIJSA-N 1 3 348.466 2.080 10 0 EEAEHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H](CNCc1cncc(F)c1)C1CC1 ZINC001445954478 1091899323 /nfs/dbraw/zinc/89/93/23/1091899323.db2.gz CFSNYZSGFPYDQD-ROUUACIJSA-N 1 3 348.466 2.080 10 0 EEAEHO O=C(N[C@H](CNCc1ccccc1F)C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001445959335 1091906835 /nfs/dbraw/zinc/90/68/35/1091906835.db2.gz YZVYJQGNJSLCJU-IEBWSBKVSA-N 1 3 345.462 2.152 10 0 EEAEHO CO[C@@H](C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C(C)C)c1ccccc1 ZINC001439782582 1092739389 /nfs/dbraw/zinc/73/93/89/1092739389.db2.gz NDNOUKCSXHPKML-OALUTQOASA-N 1 3 347.503 2.295 10 0 EEAEHO O=C(N[C@H]1C[C@H](CNC/C(Cl)=C/Cl)C1)C12CCC[NH+]1CCC2 ZINC001448513609 1093541358 /nfs/dbraw/zinc/54/13/58/1093541358.db2.gz SANVGNNJVRXACH-FQNMHCGOSA-N 1 3 346.302 2.418 10 0 EEAEHO Cc1nsc(C)c1C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001440598969 1093863371 /nfs/dbraw/zinc/86/33/71/1093863371.db2.gz ZCNPNEVZMSVATH-LRDDRELGSA-N 1 3 338.521 2.037 10 0 EEAEHO Cc1ncccc1C[NH2+]CC1CC(NC(=O)CN(C)CC(C)(C)C)C1 ZINC001440762902 1094003709 /nfs/dbraw/zinc/00/37/09/1094003709.db2.gz CFMIIKARPMIIFD-UHFFFAOYSA-N 1 3 346.519 2.352 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1N(Cc1ccc(F)cc1)CC2 ZINC001449005256 1094003942 /nfs/dbraw/zinc/00/39/42/1094003942.db2.gz DWWGQRBPTDHBQY-IEBWSBKVSA-N 1 3 333.451 2.391 10 0 EEAEHO Cc1ccc(F)cc1CN(C)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001440997036 1094266135 /nfs/dbraw/zinc/26/61/35/1094266135.db2.gz HBXYXMOCQAXGPW-HZPDHXFCSA-N 1 3 335.467 2.412 10 0 EEAEHO Cc1ccc(F)cc1CN(C)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001440997036 1094266138 /nfs/dbraw/zinc/26/61/38/1094266138.db2.gz HBXYXMOCQAXGPW-HZPDHXFCSA-N 1 3 335.467 2.412 10 0 EEAEHO Cc1ncccc1C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCN1C)C(C)C ZINC001441090636 1094388648 /nfs/dbraw/zinc/38/86/48/1094388648.db2.gz QBYGGHDTDBHBTD-MOPGFXCFSA-N 1 3 346.519 2.447 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C(C)(C)C)c2)[C@H]1C ZINC001441829936 1095885587 /nfs/dbraw/zinc/88/55/87/1095885587.db2.gz WUZNABWIBLEFMT-NVXWUHKLSA-N 1 3 349.523 2.057 10 0 EEAEHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCc1ccns1 ZINC001441846669 1095929068 /nfs/dbraw/zinc/92/90/68/1095929068.db2.gz IYDOVMFXYGDPAH-CQSZACIVSA-N 1 3 338.521 2.044 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cnc(C)s2)C1 ZINC001441893599 1096033624 /nfs/dbraw/zinc/03/36/24/1096033624.db2.gz DLVOGWXVBLDCNB-CABCVRRESA-N 1 3 338.521 2.168 10 0 EEAEHO Cc1ncoc1CN[C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001442261792 1096564915 /nfs/dbraw/zinc/56/49/15/1096564915.db2.gz WVPLCYGPDXRXDP-CQSZACIVSA-N 1 3 336.480 2.232 10 0 EEAEHO Cc1nocc1CNC1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001442263337 1096566609 /nfs/dbraw/zinc/56/66/09/1096566609.db2.gz XPEBWGHXQOTFFX-DAWZGUTISA-N 1 3 348.491 2.182 10 0 EEAEHO Cc1nc(CN[C@H](C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)sc1C ZINC001442319959 1096637987 /nfs/dbraw/zinc/63/79/87/1096637987.db2.gz LKRVGNPMIHTELX-IUODEOHRSA-N 1 3 338.521 2.086 10 0 EEAEHO Cc1nc(CN[C@H](C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)sc1C ZINC001442319959 1096637990 /nfs/dbraw/zinc/63/79/90/1096637990.db2.gz LKRVGNPMIHTELX-IUODEOHRSA-N 1 3 338.521 2.086 10 0 EEAEHO Cc1ccc(CN2CC[C@@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1F ZINC001442909457 1097315669 /nfs/dbraw/zinc/31/56/69/1097315669.db2.gz UYUWXRLXDSBVFD-MSOLQXFVSA-N 1 3 347.478 2.414 10 0 EEAEHO Cc1ccc(CN2CC[C@@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1F ZINC001442909457 1097315676 /nfs/dbraw/zinc/31/56/76/1097315676.db2.gz UYUWXRLXDSBVFD-MSOLQXFVSA-N 1 3 347.478 2.414 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)C/C=C\Cl)C2)CC[N@@H+]1C ZINC001443319511 1097806572 /nfs/dbraw/zinc/80/65/72/1097806572.db2.gz FFELIAZCSDGLKV-VFQMKTJOSA-N 1 3 327.900 2.250 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)C/C=C\Cl)C2)CC[N@H+]1C ZINC001443319511 1097806581 /nfs/dbraw/zinc/80/65/81/1097806581.db2.gz FFELIAZCSDGLKV-VFQMKTJOSA-N 1 3 327.900 2.250 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NCCC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC001479866041 1099191795 /nfs/dbraw/zinc/19/17/95/1099191795.db2.gz CEFXNFJSYFZTNC-GOSISDBHSA-N 1 3 333.451 2.391 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NCCC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC001479866041 1099191799 /nfs/dbraw/zinc/19/17/99/1099191799.db2.gz CEFXNFJSYFZTNC-GOSISDBHSA-N 1 3 333.451 2.391 10 0 EEAEHO Cc1ncccc1CN(CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001479874982 1099233189 /nfs/dbraw/zinc/23/31/89/1099233189.db2.gz JFIUJCXNOQBVIH-UHFFFAOYSA-N 1 3 344.503 2.203 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001480022793 1099501806 /nfs/dbraw/zinc/50/18/06/1099501806.db2.gz ACJFSMGVJCTLBX-HOTGVXAUSA-N 1 3 343.462 2.391 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)c(F)c1 ZINC001444713868 1099574627 /nfs/dbraw/zinc/57/46/27/1099574627.db2.gz BKOMQPZNOUUMPL-ZDUSSCGKSA-N 1 3 327.419 2.242 10 0 EEAEHO Cc1ccc(CN[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c(C)n1 ZINC001480120067 1099684698 /nfs/dbraw/zinc/68/46/98/1099684698.db2.gz CSMYEDGJKCEROQ-SFHVURJKSA-N 1 3 332.492 2.121 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccn(C(C)C)n2)[C@@H](C)C1 ZINC001444792139 1099705209 /nfs/dbraw/zinc/70/52/09/1099705209.db2.gz QXCBOPAUNOBHHT-WMZOPIPTSA-N 1 3 349.523 2.131 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CCOC(C)C)CC[C@@H]21 ZINC001480187383 1099780690 /nfs/dbraw/zinc/78/06/90/1099780690.db2.gz CBQGLUYWZSQIHG-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CCOC(C)C)CC[C@@H]21 ZINC001480187383 1099780698 /nfs/dbraw/zinc/78/06/98/1099780698.db2.gz CBQGLUYWZSQIHG-ROUUACIJSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCOc2c(C)cccc2C)C1)N(C)C ZINC001480223630 1099842577 /nfs/dbraw/zinc/84/25/77/1099842577.db2.gz GCSSXPYNEPNTLK-KSZLIROESA-N 1 3 347.503 2.259 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CCC[N@H+](CCc3cccs3)C2)C1 ZINC001480263241 1099949992 /nfs/dbraw/zinc/94/99/92/1099949992.db2.gz MAQQCXFSEIQHDC-SJORKVTESA-N 1 3 349.544 2.461 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CCC[N@@H+](CCc3cccs3)C2)C1 ZINC001480263241 1099950006 /nfs/dbraw/zinc/95/00/06/1099950006.db2.gz MAQQCXFSEIQHDC-SJORKVTESA-N 1 3 349.544 2.461 10 0 EEAEHO Cc1nc(CN[C@H]2CCN(C(=O)CC[NH+](C)C)[C@H](C)C2)sc1C ZINC001446450387 1100871644 /nfs/dbraw/zinc/87/16/44/1100871644.db2.gz WDKRYXQJOJOXQU-DOMZBBRYSA-N 1 3 338.521 2.181 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]Cc1ccccn1)C1CC1 ZINC001495251880 1100947671 /nfs/dbraw/zinc/94/76/71/1100947671.db2.gz XKHBECGPTQDIRH-UYAOXDASSA-N 1 3 344.503 2.329 10 0 EEAEHO Cc1nc(C)c(CNC[C@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)o1 ZINC001495294509 1100993517 /nfs/dbraw/zinc/99/35/17/1100993517.db2.gz SRZNHNHOPXVNJX-BEFAXECRSA-N 1 3 348.491 2.008 10 0 EEAEHO Cc1nc(C)c(CNC[C@](C)(NC(=O)C[C@H]2CC[N@H+](C)C2)C2CC2)o1 ZINC001495294509 1100993523 /nfs/dbraw/zinc/99/35/23/1100993523.db2.gz SRZNHNHOPXVNJX-BEFAXECRSA-N 1 3 348.491 2.008 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](CC[NH2+]Cc3cccnc3)C2)C1 ZINC001495385818 1101106078 /nfs/dbraw/zinc/10/60/78/1101106078.db2.gz IAGAEDTWAQHMMK-MSOLQXFVSA-N 1 3 344.503 2.142 10 0 EEAEHO CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2cnoc2C)CC1)N(C)C ZINC001495433493 1101151331 /nfs/dbraw/zinc/15/13/31/1101151331.db2.gz ZYMFSVIFJTXSCH-QGZVFWFLSA-N 1 3 336.480 2.042 10 0 EEAEHO C[C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1C[NH2+]C/C(Cl)=C/Cl ZINC001446941322 1101629110 /nfs/dbraw/zinc/62/91/10/1101629110.db2.gz MDFVYTDPDCUXMP-QWXIZGFTSA-N 1 3 334.291 2.085 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cncc(C)c1 ZINC001497329891 1102336061 /nfs/dbraw/zinc/33/60/61/1102336061.db2.gz FIKIWXSTCSUUPT-SJLPKXTDSA-N 1 3 332.492 2.249 10 0 EEAEHO CCCN(C)CC(=O)N1CCC(CC)([NH2+]Cc2cc(C)no2)CC1 ZINC001447423607 1102627128 /nfs/dbraw/zinc/62/71/28/1102627128.db2.gz JOVRLZXMHFUODS-UHFFFAOYSA-N 1 3 336.480 2.186 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH2+]CCCc1ccc(C)cc1 ZINC001497970990 1103438366 /nfs/dbraw/zinc/43/83/66/1103438366.db2.gz INXAXRKDRJQHIV-OAHLLOKOSA-N 1 3 328.460 2.296 10 0 EEAEHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)CCCCCF)C2)CCC1 ZINC001494136630 1103582529 /nfs/dbraw/zinc/58/25/29/1103582529.db2.gz FFBINIMWXXIZPV-INIZCTEOSA-N 1 3 327.488 2.391 10 0 EEAEHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)CCCCCF)C2)CCC1 ZINC001494136630 1103582532 /nfs/dbraw/zinc/58/25/32/1103582532.db2.gz FFBINIMWXXIZPV-INIZCTEOSA-N 1 3 327.488 2.391 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)cc(F)c1 ZINC001498197170 1107065139 /nfs/dbraw/zinc/06/51/39/1107065139.db2.gz GBWFSMTVASRZPK-SUMWQHHRSA-N 1 3 339.430 2.434 10 0 EEAEHO Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)N(C)C)c(C)n1 ZINC001498562004 1107726610 /nfs/dbraw/zinc/72/66/10/1107726610.db2.gz RTZYXORBCNVWAY-SFHVURJKSA-N 1 3 334.508 2.223 10 0 EEAEHO Cc1ccncc1C[NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001498612091 1107808377 /nfs/dbraw/zinc/80/83/77/1107808377.db2.gz GPFSZCQMQDTQCZ-UHFFFAOYSA-N 1 3 334.508 2.306 10 0 EEAEHO C[C@H](NC1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1)c1ccc(F)cc1 ZINC001499227877 1112188743 /nfs/dbraw/zinc/18/87/43/1112188743.db2.gz APYGSMUFUAJHFH-KBXCAEBGSA-N 1 3 345.462 2.467 10 0 EEAEHO CC[C@@H](F)CN1CCC2(CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001499584501 1112388912 /nfs/dbraw/zinc/38/89/12/1112388912.db2.gz DRWIXURYMZJGPG-MRXNPFEDSA-N 1 3 327.488 2.391 10 0 EEAEHO CC[C@@H](F)CN1CCC2(CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001499584501 1112388916 /nfs/dbraw/zinc/38/89/16/1112388916.db2.gz DRWIXURYMZJGPG-MRXNPFEDSA-N 1 3 327.488 2.391 10 0 EEAEHO CC[C@@H](C(=O)NC1(C)CC[NH+](CCCOC(C)C)CC1)N(C)C ZINC001499997362 1112570986 /nfs/dbraw/zinc/57/09/86/1112570986.db2.gz CNDOCCQSZODEQB-INIZCTEOSA-N 1 3 327.513 2.112 10 0 EEAEHO C[C@@H](C(=O)N[C@@H](CNCCF)C1CCCC1)[NH+]1CCCCCC1 ZINC001500114658 1112623498 /nfs/dbraw/zinc/62/34/98/1112623498.db2.gz KVXWGVSTMSSJSG-RDJZCZTQSA-N 1 3 327.488 2.485 10 0 EEAEHO C[C@@H](C(=O)N[C@@H](C[NH2+]CCF)C1CCCC1)N1CCCCCC1 ZINC001500114658 1112623499 /nfs/dbraw/zinc/62/34/99/1112623499.db2.gz KVXWGVSTMSSJSG-RDJZCZTQSA-N 1 3 327.488 2.485 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1CCC[C@H]2CN(C[C@@H](F)CC)C[C@H]21 ZINC001501427567 1113355573 /nfs/dbraw/zinc/35/55/73/1113355573.db2.gz SIXOUTHUHHZPTF-YESZJQIVSA-N 1 3 327.488 2.389 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H]2CN(C[C@@H](F)CC)C[C@H]21 ZINC001501427567 1113355574 /nfs/dbraw/zinc/35/55/74/1113355574.db2.gz SIXOUTHUHHZPTF-YESZJQIVSA-N 1 3 327.488 2.389 10 0 EEAEHO Cc1cncc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001501578652 1113389320 /nfs/dbraw/zinc/38/93/20/1113389320.db2.gz MGVLKPGWBXOZEU-HKUYNNGSSA-N 1 3 346.519 2.304 10 0 EEAEHO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001502095212 1113585291 /nfs/dbraw/zinc/58/52/91/1113585291.db2.gz WARVXGSFZXIYDT-ROUUACIJSA-N 1 3 347.503 2.213 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001502811422 1113808218 /nfs/dbraw/zinc/80/82/18/1113808218.db2.gz UACZDZZGAQRPGB-IRXDYDNUSA-N 1 3 339.524 2.112 10 0 EEAEHO C[N@@H+]1CC[C@@H](C(=O)NC2(CNCc3cncc(F)c3)CCCCC2)C1 ZINC001506525713 1114674580 /nfs/dbraw/zinc/67/45/80/1114674580.db2.gz MGJNSIFGJDMVEP-MRXNPFEDSA-N 1 3 348.466 2.081 10 0 EEAEHO C[N@H+]1CC[C@@H](C(=O)NC2(CNCc3cncc(F)c3)CCCCC2)C1 ZINC001506525713 1114674581 /nfs/dbraw/zinc/67/45/81/1114674581.db2.gz MGJNSIFGJDMVEP-MRXNPFEDSA-N 1 3 348.466 2.081 10 0 EEAEHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN(C)C3CCC3)C2)c(C)n1 ZINC001506887025 1114951448 /nfs/dbraw/zinc/95/14/48/1114951448.db2.gz ZTQNQQMYMYDZRN-SAABIXHNSA-N 1 3 344.503 2.167 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2cccc(F)c2)C(C)(C)C1 ZINC001507451692 1115277332 /nfs/dbraw/zinc/27/73/32/1115277332.db2.gz XLKHAWWGVXLGFB-QGZVFWFLSA-N 1 3 335.467 2.494 10 0 EEAEHO CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001567900569 1124165431 /nfs/dbraw/zinc/16/54/31/1124165431.db2.gz BBEIAHPOAPZHJM-LJQANCHMSA-N 1 3 347.503 2.367 10 0 EEAEHO CC(C)OCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001567900569 1124165433 /nfs/dbraw/zinc/16/54/33/1124165433.db2.gz BBEIAHPOAPZHJM-LJQANCHMSA-N 1 3 347.503 2.367 10 0 EEAEHO CCCN(C)CC(=O)N1CCC(CC[NH2+]Cc2cccnc2)CC1 ZINC001568098238 1124300993 /nfs/dbraw/zinc/30/09/93/1124300993.db2.gz ASKIYVZBCCFISU-UHFFFAOYSA-N 1 3 332.492 2.142 10 0 EEAEHO O=C(NCc1ccc(CNC/C=C\Cl)cc1)C12CC[NH+](CC1)C2 ZINC001568121551 1124315178 /nfs/dbraw/zinc/31/51/78/1124315178.db2.gz DXUDMHMSTAOYRY-QPIMQUGISA-N 1 3 333.863 2.241 10 0 EEAEHO Cc1ccc(CC[NH2+]C[C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001568193355 1124348147 /nfs/dbraw/zinc/34/81/47/1124348147.db2.gz BBZGWWWVMOAMRC-QZTJIDSGSA-N 1 3 331.504 2.221 10 0 EEAEHO Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)CN(C)C2CCC2)on1 ZINC001568385582 1124455252 /nfs/dbraw/zinc/45/52/52/1124455252.db2.gz ITKDDLURLWFJPG-QGZVFWFLSA-N 1 3 348.491 2.328 10 0 EEAEHO Cc1ncccc1CNC/C=C\CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001568949867 1124983322 /nfs/dbraw/zinc/98/33/22/1124983322.db2.gz GMFZXLFJUTXTCQ-JSDWAPGTSA-N 1 3 344.503 2.272 10 0 EEAEHO CCc1ccc(CC[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001569188823 1125153218 /nfs/dbraw/zinc/15/32/18/1125153218.db2.gz MUMXMQANCZWROD-IBGZPJMESA-N 1 3 331.504 2.324 10 0 EEAEHO Cc1cnc(CNCCCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)s1 ZINC001569268998 1125208150 /nfs/dbraw/zinc/20/81/50/1125208150.db2.gz OQSKVOPXDQLIEC-OKILXGFUSA-N 1 3 338.521 2.262 10 0 EEAEHO Cc1cnc(CNCCCN(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)s1 ZINC001569268998 1125208153 /nfs/dbraw/zinc/20/81/53/1125208153.db2.gz OQSKVOPXDQLIEC-OKILXGFUSA-N 1 3 338.521 2.262 10 0 EEAEHO CCOCC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1CC ZINC001569339954 1125240399 /nfs/dbraw/zinc/24/03/99/1125240399.db2.gz HEPCTIJMFDFBIX-IRXDYDNUSA-N 1 3 341.540 2.218 10 0 EEAEHO CCCN(CC[NH+](C)C)c1ncc(Br)cc1CNC ZINC000051490039 214095264 /nfs/dbraw/zinc/09/52/64/214095264.db2.gz WPHFRSFVLLYFRO-UHFFFAOYSA-N 1 3 329.286 2.342 10 0 EEAEHO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000170861268 282197620 /nfs/dbraw/zinc/19/76/20/282197620.db2.gz JKVPRUVIBJZQGS-QZTJIDSGSA-N 1 3 330.476 2.169 10 0 EEAEHO C[NH+]1CCC(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000373417601 282685344 /nfs/dbraw/zinc/68/53/44/282685344.db2.gz NAASNEDUOYDHAR-UHFFFAOYSA-N 1 3 347.425 2.250 10 0 EEAEHO COC[C@H](CCC[NH3+])NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422932318 240295013 /nfs/dbraw/zinc/29/50/13/240295013.db2.gz ZAEYXFXTBDOMID-SFHVURJKSA-N 1 3 333.476 2.156 10 0 EEAEHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000246419540 243251861 /nfs/dbraw/zinc/25/18/61/243251861.db2.gz VMPUCLRSGPHBTH-QRQLOZEOSA-N 1 3 346.519 2.141 10 0 EEAEHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000246419540 243251865 /nfs/dbraw/zinc/25/18/65/243251865.db2.gz VMPUCLRSGPHBTH-QRQLOZEOSA-N 1 3 346.519 2.141 10 0 EEAEHO O=C(Nc1ccc2c(c1F)CCNC2)c1ccc2c(c1)CC[NH2+]CC2 ZINC000261715232 284336995 /nfs/dbraw/zinc/33/69/95/284336995.db2.gz KZRXINAZUBEVMD-UHFFFAOYSA-N 1 3 339.414 2.412 10 0 EEAEHO CCN1CCC[C@H]1CN(CC[NH+](C)C)Cc1ncc(COC)s1 ZINC000349059059 285282423 /nfs/dbraw/zinc/28/24/23/285282423.db2.gz BDXLOCCTCDWTIR-HNNXBMFYSA-N 1 3 340.537 2.137 10 0 EEAEHO CCN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000248721197 160358217 /nfs/dbraw/zinc/35/82/17/160358217.db2.gz GQXGUDMJJYCMDD-RTBURBONSA-N 1 3 344.503 2.292 10 0 EEAEHO CCN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000248721197 160358219 /nfs/dbraw/zinc/35/82/19/160358219.db2.gz GQXGUDMJJYCMDD-RTBURBONSA-N 1 3 344.503 2.292 10 0 EEAEHO C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245657374 160246976 /nfs/dbraw/zinc/24/69/76/160246976.db2.gz DWWUYDPVNUZKII-ZIBCJSCZSA-N 1 3 343.515 2.492 10 0 EEAEHO C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245657374 160246978 /nfs/dbraw/zinc/24/69/78/160246978.db2.gz DWWUYDPVNUZKII-ZIBCJSCZSA-N 1 3 343.515 2.492 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC[N@@H+]1C ZINC000246169940 160265507 /nfs/dbraw/zinc/26/55/07/160265507.db2.gz LEHCHTLWYVOIAR-QRQLOZEOSA-N 1 3 346.519 2.283 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC[N@H+]1C ZINC000246169940 160265509 /nfs/dbraw/zinc/26/55/09/160265509.db2.gz LEHCHTLWYVOIAR-QRQLOZEOSA-N 1 3 346.519 2.283 10 0 EEAEHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1C[C@H](C)N(C3CC3)C1)CC2 ZINC000246409776 160277154 /nfs/dbraw/zinc/27/71/54/160277154.db2.gz UQBHEVDBKFVNPG-IDCNUPLLSA-N 1 3 334.508 2.268 10 0 EEAEHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1C[C@H](C)N(C3CC3)C1)CC2 ZINC000246409776 160277156 /nfs/dbraw/zinc/27/71/56/160277156.db2.gz UQBHEVDBKFVNPG-IDCNUPLLSA-N 1 3 334.508 2.268 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376567376 167353062 /nfs/dbraw/zinc/35/30/62/167353062.db2.gz VGYAQHQIDKOGRW-UHFFFAOYSA-N 1 3 345.487 2.374 10 0 EEAEHO C[N@@H+]1CC[C@H](NCCn2cc(Br)cn2)[C@H]2CCC[C@@H]21 ZINC000367710212 277171314 /nfs/dbraw/zinc/17/13/14/277171314.db2.gz WGEDHJSPMOTLLW-RDBSUJKOSA-N 1 3 327.270 2.108 10 0 EEAEHO C[N@H+]1CC[C@H](NCCn2cc(Br)cn2)[C@H]2CCC[C@@H]21 ZINC000367710212 277171315 /nfs/dbraw/zinc/17/13/15/277171315.db2.gz WGEDHJSPMOTLLW-RDBSUJKOSA-N 1 3 327.270 2.108 10 0 EEAEHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000339939493 279130687 /nfs/dbraw/zinc/13/06/87/279130687.db2.gz CPSJNPRWGOKXQG-WMZOPIPTSA-N 1 3 334.508 2.189 10 0 EEAEHO CCC[C@]1(NCC2(C[NH2+][C@@]3(CCC)CCOC3)COC2)CCOC1 ZINC000352822852 312387333 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345.487 2.202 10 0 EEAEHO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414771095 313082587 /nfs/dbraw/zinc/08/25/87/313082587.db2.gz ZCABXMKWQVYACM-DNVCBOLYSA-N 1 3 345.487 2.202 10 0 EEAEHO C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H](N)c2ccccc2)c1 ZINC000414879300 313106057 /nfs/dbraw/zinc/10/60/57/313106057.db2.gz IKHSKCYVBXMEEG-GOSISDBHSA-N 1 3 342.443 2.449 10 0 EEAEHO CN(CCCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000416866029 313341058 /nfs/dbraw/zinc/34/10/58/313341058.db2.gz ABXKURWXGLKYRK-GOSISDBHSA-N 1 3 330.476 2.044 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000448471773 315371519 /nfs/dbraw/zinc/37/15/19/315371519.db2.gz MDUUPMVILFAPMI-WMZOPIPTSA-N 1 3 336.524 2.233 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000448471773 315371521 /nfs/dbraw/zinc/37/15/21/315371521.db2.gz MDUUPMVILFAPMI-WMZOPIPTSA-N 1 3 336.524 2.233 10 0 EEAEHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000527815285 317268609 /nfs/dbraw/zinc/26/86/09/317268609.db2.gz CEXGDJAVPPVIRU-AEFFLSMTSA-N 1 3 336.524 2.280 10 0 EEAEHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000527815285 317268611 /nfs/dbraw/zinc/26/86/11/317268611.db2.gz CEXGDJAVPPVIRU-AEFFLSMTSA-N 1 3 336.524 2.280 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000563559520 319023383 /nfs/dbraw/zinc/02/33/83/319023383.db2.gz RUMGQYIZWNPYBC-QAPCUYQASA-N 1 3 344.503 2.121 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000564098415 319067388 /nfs/dbraw/zinc/06/73/88/319067388.db2.gz OMXQIVAYZSFZET-CVEARBPZSA-N 1 3 335.517 2.418 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000564098415 319067390 /nfs/dbraw/zinc/06/73/90/319067390.db2.gz OMXQIVAYZSFZET-CVEARBPZSA-N 1 3 335.517 2.418 10 0 EEAEHO CC(C)[NH+](CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C)C(C)C ZINC000565420751 319181554 /nfs/dbraw/zinc/18/15/54/319181554.db2.gz MEGLPIKVNBLSLU-GPMSIDNRSA-N 1 3 339.524 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/nfs/dbraw/zinc/99/72/66/463997266.db2.gz GJIJXFJRCQZLRO-SFHVURJKSA-N 1 3 332.492 2.422 10 0 EEAEHO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000181052498 464439522 /nfs/dbraw/zinc/43/95/22/464439522.db2.gz CJIBJEFCHDPYNY-HKUYNNGSSA-N 1 3 342.487 2.163 10 0 EEAEHO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000181052498 464439526 /nfs/dbraw/zinc/43/95/26/464439526.db2.gz CJIBJEFCHDPYNY-HKUYNNGSSA-N 1 3 342.487 2.163 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000245615070 464499198 /nfs/dbraw/zinc/49/91/98/464499198.db2.gz CTKQBRVUXNQROU-XIVBQZFQSA-N 1 3 342.487 2.356 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000245615070 464499203 /nfs/dbraw/zinc/49/92/03/464499203.db2.gz CTKQBRVUXNQROU-XIVBQZFQSA-N 1 3 342.487 2.356 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000175633849 464591327 /nfs/dbraw/zinc/59/13/27/464591327.db2.gz SUHRMFWKAKOMIF-NEWSRXKRSA-N 1 3 344.503 2.385 10 0 EEAEHO COc1cc(C)c(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c(C)n1 ZINC000359270399 465391842 /nfs/dbraw/zinc/39/18/42/465391842.db2.gz WWZNFSNWDNVOLN-QFBILLFUSA-N 1 3 346.519 2.165 10 0 EEAEHO COc1cc(C)c(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c(C)n1 ZINC000359270399 465391844 /nfs/dbraw/zinc/39/18/44/465391844.db2.gz WWZNFSNWDNVOLN-QFBILLFUSA-N 1 3 346.519 2.165 10 0 EEAEHO CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000340300894 465969706 /nfs/dbraw/zinc/96/97/06/465969706.db2.gz FSIIBYHJNWKQBF-ZWKOTPCHSA-N 1 3 330.476 2.169 10 0 EEAEHO CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000340539667 466161083 /nfs/dbraw/zinc/16/10/83/466161083.db2.gz TXCDWCVISLFJHV-KRWDZBQOSA-N 1 3 343.475 2.320 10 0 EEAEHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCN2CCC1CC2 ZINC000367416695 466323093 /nfs/dbraw/zinc/32/30/93/466323093.db2.gz XUFFEEDBZJQODD-SFHVURJKSA-N 1 3 342.487 2.141 10 0 EEAEHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CC[NH+]2CCC1CC2 ZINC000367416695 466323097 /nfs/dbraw/zinc/32/30/97/466323097.db2.gz XUFFEEDBZJQODD-SFHVURJKSA-N 1 3 342.487 2.141 10 0 EEAEHO C[C@H](N[C@@H]1CNCCC1(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000423472781 466755055 /nfs/dbraw/zinc/75/50/55/466755055.db2.gz IDJFTNIAUFQIKB-XJKSGUPXSA-N 1 3 327.419 2.275 10 0 EEAEHO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCCNCC1 ZINC000417589549 466889312 /nfs/dbraw/zinc/88/93/12/466889312.db2.gz VHZFMUTXLFLCSB-YQQQUEKLSA-N 1 3 342.487 2.187 10 0 EEAEHO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCCNCC1 ZINC000417589549 466889316 /nfs/dbraw/zinc/88/93/16/466889316.db2.gz VHZFMUTXLFLCSB-YQQQUEKLSA-N 1 3 342.487 2.187 10 0 EEAEHO C[C@@H]1C[C@@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CN1Cc1ccccc1 ZINC000417885462 466970218 /nfs/dbraw/zinc/97/02/18/466970218.db2.gz YFINZIUCOWCQBZ-SZVBFZGTSA-N 1 3 342.487 2.185 10 0 EEAEHO C[NH2+]CCC1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000417939725 466994937 /nfs/dbraw/zinc/99/49/37/466994937.db2.gz KWOZBASQBSWDPF-MOPGFXCFSA-N 1 3 344.503 2.463 10 0 EEAEHO C[C@]1(CNC(=O)NCCC[NH2+]C2CC2)CCCN1Cc1ccccc1 ZINC000418048779 467034381 /nfs/dbraw/zinc/03/43/81/467034381.db2.gz WHHXIEUEDCTJEH-HXUWFJFHSA-N 1 3 344.503 2.482 10 0 EEAEHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000377201955 467046216 /nfs/dbraw/zinc/04/62/16/467046216.db2.gz RBQAWWPNVHYVOS-RTBURBONSA-N 1 3 346.519 2.439 10 0 EEAEHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000377201955 467046222 /nfs/dbraw/zinc/04/62/22/467046222.db2.gz RBQAWWPNVHYVOS-RTBURBONSA-N 1 3 346.519 2.439 10 0 EEAEHO [NH3+]CCN(CCc1ccccc1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000418115426 467049975 /nfs/dbraw/zinc/04/99/75/467049975.db2.gz OIRMFGZVWZTGFT-LJQANCHMSA-N 1 3 344.503 2.216 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000418611237 467135410 /nfs/dbraw/zinc/13/54/10/467135410.db2.gz HCHKQKVVJSAQGL-AOIWGVFYSA-N 1 3 344.503 2.290 10 0 EEAEHO CCN(C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418624387 467137108 /nfs/dbraw/zinc/13/71/08/467137108.db2.gz YVNICZLPAACWPI-QXAKKESOSA-N 1 3 344.503 2.290 10 0 EEAEHO COC[C@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000452102725 467323534 /nfs/dbraw/zinc/32/35/34/467323534.db2.gz LBDBRWJGFOYCOY-HKUYNNGSSA-N 1 3 347.503 2.154 10 0 EEAEHO CCN1CC[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000414303513 467400695 /nfs/dbraw/zinc/40/06/95/467400695.db2.gz LMUUHWBUWVNDFS-UYAOXDASSA-N 1 3 345.531 2.333 10 0 EEAEHO CCOC(=O)COCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000589251451 468136744 /nfs/dbraw/zinc/13/67/44/468136744.db2.gz JHCAAWKUCUYYQM-UHFFFAOYSA-N 1 3 326.481 2.154 10 0 EEAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000583921208 468774193 /nfs/dbraw/zinc/77/41/93/468774193.db2.gz DGVZMATZBXFBFE-RWQQGDIJSA-N 1 3 344.503 2.337 10 0 EEAEHO [NH3+]C1(CNC(=O)NCc2ccccc2CN2CCCCC2)CCC1 ZINC000571538371 468804494 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EEAEHO CN(C)C1(C(=O)N(C)CC[NH2+]CCc2ccccc2Cl)CCC1 ZINC001691346121 1177941759 /nfs/dbraw/zinc/94/17/59/1177941759.db2.gz QDJJNBYKSLJTCN-UHFFFAOYSA-N 1 3 337.895 2.415 10 0 EEAEHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001267043788 1178139081 /nfs/dbraw/zinc/13/90/81/1178139081.db2.gz DQDBHOSWNVBIHV-OALUTQOASA-N 1 3 331.504 2.253 10 0 EEAEHO CN(CCNCc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267072081 1178190572 /nfs/dbraw/zinc/19/05/72/1178190572.db2.gz QQDNLFGUBJEZIZ-CYBMUJFWSA-N 1 3 344.286 2.493 10 0 EEAEHO CN(CCNCc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267072081 1178190576 /nfs/dbraw/zinc/19/05/76/1178190576.db2.gz QQDNLFGUBJEZIZ-CYBMUJFWSA-N 1 3 344.286 2.493 10 0 EEAEHO CC(C)[NH+]1CCC(C(=O)N(C)CCNCc2cccc(F)c2)CC1 ZINC001267449596 1179030758 /nfs/dbraw/zinc/03/07/58/1179030758.db2.gz FXHJQWDGSOTTFO-UHFFFAOYSA-N 1 3 335.467 2.494 10 0 EEAEHO COc1cccc(CN2CCC[C@@H]2CNC(=O)CC[NH+](C)C)c1C ZINC001481055396 1179640634 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C[C@@H](C[NH2+]CCc1ccc(F)c(F)c1)N(C)C(=O)CN1CCCC1 ZINC001268100816 1181746428 /nfs/dbraw/zinc/74/64/28/1181746428.db2.gz QKFCKEYQGZSUPI-AWEZNQCLSA-N 1 3 339.430 2.040 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)NCc1cncs1 ZINC001481854588 1182814391 /nfs/dbraw/zinc/81/43/91/1182814391.db2.gz FFDCKJIEJLHAQC-HOCLYGCPSA-N 1 3 338.521 2.390 10 0 EEAEHO CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)NCc1cncs1 ZINC001481854588 1182814393 /nfs/dbraw/zinc/81/43/93/1182814393.db2.gz FFDCKJIEJLHAQC-HOCLYGCPSA-N 1 3 338.521 2.390 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCF)C1 ZINC001481986336 1183090695 /nfs/dbraw/zinc/09/06/95/1183090695.db2.gz MQYHHRJJRVXYCW-IRXDYDNUSA-N 1 3 327.488 2.437 10 0 EEAEHO C[NH+](C)CCC(=O)N1CCC(CCNC/C(Cl)=C\Cl)CC1 ZINC001482004895 1183110329 /nfs/dbraw/zinc/11/03/29/1183110329.db2.gz YBEQOJVZRDQPTR-SDNWHVSQSA-N 1 3 336.307 2.475 10 0 EEAEHO Cc1cccc(CCC[NH2+]C/C=C/CNC(=O)[C@H]2CCCN2C)c1 ZINC001268576413 1183317932 /nfs/dbraw/zinc/31/79/32/1183317932.db2.gz VRXPEHHSBHOXRD-GNAXCBTBSA-N 1 3 329.488 2.284 10 0 EEAEHO COc1cccc(C[NH2+]C/C=C/CNC(=O)CN2CCC(C)CC2)c1 ZINC001268609085 1183517867 /nfs/dbraw/zinc/51/78/67/1183517867.db2.gz PGXBIRWWCLQEFF-ONEGZZNKSA-N 1 3 345.487 2.189 10 0 EEAEHO C[C@@H](O)CCC[NH2+]C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001270309046 1185005060 /nfs/dbraw/zinc/00/50/60/1185005060.db2.gz SYYFKAWFPRIEJC-VQIMIIECSA-N 1 3 347.503 2.103 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]CCc2cccs2)C1 ZINC001270830911 1185440014 /nfs/dbraw/zinc/44/00/14/1185440014.db2.gz UTQOWBIQWWMYIL-GOSISDBHSA-N 1 3 337.533 2.461 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccc(F)cn1 ZINC001482444105 1185751220 /nfs/dbraw/zinc/75/12/20/1185751220.db2.gz IQTOPRCLCACZLD-QZTJIDSGSA-N 1 3 348.466 2.176 10 0 EEAEHO C[C@H](CNCc1ccnc(Cl)c1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001271092357 1185876811 /nfs/dbraw/zinc/87/68/11/1185876811.db2.gz JWYSTTIGCSUKRA-CYBMUJFWSA-N 1 3 338.883 2.013 10 0 EEAEHO Cc1cccc(C)c1OCC[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001271120066 1185911642 /nfs/dbraw/zinc/91/16/42/1185911642.db2.gz DWDONXPHPQINPS-MRXNPFEDSA-N 1 3 344.459 2.085 10 0 EEAEHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001271181832 1186063611 /nfs/dbraw/zinc/06/36/11/1186063611.db2.gz NSAVMXHNILYKFI-ZDUSSCGKSA-N 1 3 326.872 2.013 10 0 EEAEHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNCC=C(Cl)Cl ZINC001271738261 1186445804 /nfs/dbraw/zinc/44/58/04/1186445804.db2.gz GHFNLYYYNUKWOZ-STQMWFEESA-N 1 3 336.307 2.474 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N(C)[C@H](C[NH2+]CCc2ccccc2)C2CC2)C1 ZINC001485826167 1193468031 /nfs/dbraw/zinc/46/80/31/1193468031.db2.gz IYASVIKPKTWLER-YLJYHZDGSA-N 1 3 343.515 2.398 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNCc1nc(C)cs1 ZINC001272824101 1193563460 /nfs/dbraw/zinc/56/34/60/1193563460.db2.gz UTLNVUJHNBHJER-ZFWWWQNUSA-N 1 3 338.521 2.310 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNCc1nc(C)cs1 ZINC001272824101 1193563462 /nfs/dbraw/zinc/56/34/62/1193563462.db2.gz UTLNVUJHNBHJER-ZFWWWQNUSA-N 1 3 338.521 2.310 10 0 EEAEHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001409905019 1190992822 /nfs/dbraw/zinc/99/28/22/1190992822.db2.gz CGWAMDQVPLBMAL-ZIAGYGMSSA-N 1 3 331.451 2.200 10 0 EEAEHO Cc1ncccc1C[NH2+]C[C@@]1(C)CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001484116104 1191218170 /nfs/dbraw/zinc/21/81/70/1191218170.db2.gz VUDJJILGGANTNO-OXJNMPFZSA-N 1 3 344.503 2.060 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCOC2CCC2)C3)CCC1 ZINC001484316575 1191300730 /nfs/dbraw/zinc/30/07/30/1191300730.db2.gz QAOPMEIDVUEYPA-ULQDDVLXSA-N 1 3 349.519 2.009 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCOC2CCC2)C3)CCC1 ZINC001484316575 1191300732 /nfs/dbraw/zinc/30/07/32/1191300732.db2.gz QAOPMEIDVUEYPA-ULQDDVLXSA-N 1 3 349.519 2.009 10 0 EEAEHO Cc1ccncc1CN1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001484580720 1191425706 /nfs/dbraw/zinc/42/57/06/1191425706.db2.gz QSMRURIJIKFFKW-UHFFFAOYSA-N 1 3 344.503 2.156 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@H+](CC2CC(F)(F)C2)CC1 ZINC001484728353 1191487309 /nfs/dbraw/zinc/48/73/09/1191487309.db2.gz NARZEFSBZLPWNK-HNNXBMFYSA-N 1 3 331.451 2.343 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@@H+](CC2CC(F)(F)C2)CC1 ZINC001484728353 1191487311 /nfs/dbraw/zinc/48/73/11/1191487311.db2.gz NARZEFSBZLPWNK-HNNXBMFYSA-N 1 3 331.451 2.343 10 0 EEAEHO CCC1(NCc2nc(C)cs2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001484817111 1191538448 /nfs/dbraw/zinc/53/84/48/1191538448.db2.gz WJWJEJAIJPBADC-UHFFFAOYSA-N 1 3 338.521 2.264 10 0 EEAEHO CC[C@H](C[NH2+]C1(C)CCN(C(=O)CN(C)CC(C)(C)C)CC1)OC ZINC001484923153 1191576542 /nfs/dbraw/zinc/57/65/42/1191576542.db2.gz GBEUJGAKZPBHLD-MRXNPFEDSA-N 1 3 341.540 2.360 10 0 EEAEHO Cc1cccnc1CN[C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485197774 1191682658 /nfs/dbraw/zinc/68/26/58/1191682658.db2.gz FKMARHNLLKLUDJ-JKSUJKDBSA-N 1 3 332.492 2.105 10 0 EEAEHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N(C)C[C@@H](O)c1ccccc1 ZINC001485337059 1191741003 /nfs/dbraw/zinc/74/10/03/1191741003.db2.gz RKJZDJBXMRTIEC-FUHWJXTLSA-N 1 3 347.503 2.031 10 0 EEAEHO Cc1cncc(CN2CC[C@]3(NC(=O)CCC[NH+](C)C)CCC[C@@H]23)c1 ZINC001486151773 1193702592 /nfs/dbraw/zinc/70/25/92/1193702592.db2.gz YDFMOLNJOLMTRB-UYAOXDASSA-N 1 3 344.503 2.345 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC[C@H]1CCCCO1)C(C)(C)C ZINC001486423023 1193936894 /nfs/dbraw/zinc/93/68/94/1193936894.db2.gz DTYRQPOZTGTPQZ-SJORKVTESA-N 1 3 341.540 2.406 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCOC)CC1 ZINC001486446573 1193961330 /nfs/dbraw/zinc/96/13/30/1193961330.db2.gz QFSZJLBJGWOLFA-WMZOPIPTSA-N 1 3 339.524 2.114 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CCC2(C1)CC[NH+](CCCCCF)CC2 ZINC001671059937 1195261841 /nfs/dbraw/zinc/26/18/41/1195261841.db2.gz SXVOWTOAFXCMMX-UHFFFAOYSA-N 1 3 336.455 2.407 10 0 EEAEHO CN(CC[NH2+]Cc1ccc(F)c(Cl)c1)C(=O)[C@H]1CCCN1C ZINC001493655062 1197356578 /nfs/dbraw/zinc/35/65/78/1197356578.db2.gz SQEVPBSXVIAQGZ-OAHLLOKOSA-N 1 3 327.831 2.121 10 0 EEAEHO C[NH+](C)C1(C)CCC(NCc2cn(Cc3cccnc3)nn2)CC1 ZINC000865764802 1198365827 /nfs/dbraw/zinc/36/58/27/1198365827.db2.gz CFXTVRWBUXHCFG-UHFFFAOYSA-N 1 3 328.464 2.074 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000810351966 1199463568 /nfs/dbraw/zinc/46/35/68/1199463568.db2.gz CEWGJQHRCFEUIE-CRAIPNDOSA-N 1 3 325.472 2.286 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC/C=C\CNCc2cccc(Cl)c2)C1 ZINC001274498037 1205058031 /nfs/dbraw/zinc/05/80/31/1205058031.db2.gz CTJYPVMQDPOSQH-RXYHWBRQSA-N 1 3 335.879 2.444 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC/C=C\CNCc2cccc(Cl)c2)C1 ZINC001274498037 1205058033 /nfs/dbraw/zinc/05/80/33/1205058033.db2.gz CTJYPVMQDPOSQH-RXYHWBRQSA-N 1 3 335.879 2.444 10 0 EEAEHO C[NH+]1CCC(N2CC[C@H](N[C@@H]3CCc4c3nccc4Cl)C2)CC1 ZINC000925041391 1206064320 /nfs/dbraw/zinc/06/43/20/1206064320.db2.gz NZDHDJDETDURTK-SUMWQHHRSA-N 1 3 334.895 2.480 10 0 EEAEHO Cc1ccc(C(=O)NCCN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925595089 1206133574 /nfs/dbraw/zinc/13/35/74/1206133574.db2.gz FUGSJHCRCDVZHE-RTBURBONSA-N 1 3 329.488 2.483 10 0 EEAEHO Cc1ccc2c(c1)OCCC[C@H]2NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925855209 1206161210 /nfs/dbraw/zinc/16/12/10/1206161210.db2.gz TUMSPVCYTCIZGE-DOTOQJQBSA-N 1 3 344.455 2.484 10 0 EEAEHO C[C@H](C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)N1CCCCCC1 ZINC000928834436 1206425916 /nfs/dbraw/zinc/42/59/16/1206425916.db2.gz GTCGEPDEPAHUSN-SJLPKXTDSA-N 1 3 332.492 2.455 10 0 EEAEHO C[C@@H](C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)N1[C@H](C)CC[C@@H]1C ZINC000928837891 1206426241 /nfs/dbraw/zinc/42/62/41/1206426241.db2.gz WZBDQZMGYQUHNF-UIBIWLFHSA-N 1 3 332.492 2.452 10 0 EEAEHO CN(C[C@@H](O)CC[C@H](O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930461140 1206559956 /nfs/dbraw/zinc/55/99/56/1206559956.db2.gz UVDZHLPRDDHSFL-VYFYYAICSA-N 1 3 332.488 2.418 10 0 EEAEHO CN(C[C@@H](O)CC[C@H](O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930461140 1206559957 /nfs/dbraw/zinc/55/99/57/1206559957.db2.gz UVDZHLPRDDHSFL-VYFYYAICSA-N 1 3 332.488 2.418 10 0 EEAEHO Cc1c(C[C@H](CN)C[NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)cnn1C ZINC000903925138 1242520133 /nfs/dbraw/zinc/52/01/33/1242520133.db2.gz KSQHOKGSPNAMAU-JFIYKMOQSA-N 1 3 336.524 2.277 10 0 EEAEHO Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cnn1C ZINC000903932922 1242556009 /nfs/dbraw/zinc/55/60/09/1242556009.db2.gz IDSLFOXPBAKFJF-LMMKCTJWSA-N 1 3 334.508 2.127 10 0 EEAEHO Cc1c(C[C@H](CN)C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cnn1C ZINC000903932922 1242556018 /nfs/dbraw/zinc/55/60/18/1242556018.db2.gz IDSLFOXPBAKFJF-LMMKCTJWSA-N 1 3 334.508 2.127 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@@H]([C@@H]3CCCCO3)C2)cnn1C ZINC000903932922 1242556029 /nfs/dbraw/zinc/55/60/29/1242556029.db2.gz IDSLFOXPBAKFJF-LMMKCTJWSA-N 1 3 334.508 2.127 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001491454990 1259098200 /nfs/dbraw/zinc/09/82/00/1259098200.db2.gz NIXOZZKMKRLSKZ-VQIMIIECSA-N 1 3 346.519 2.220 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[C@H](CC[NH2+]CCF)C2)C1 ZINC001267892917 1276782830 /nfs/dbraw/zinc/78/28/30/1276782830.db2.gz IOZFDRNFMUXXSH-QAPCUYQASA-N 1 3 345.478 2.387 10 0 EEAEHO CCC1([NH2+]CCCCCOC)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001273744188 1284624890 /nfs/dbraw/zinc/62/48/90/1284624890.db2.gz RTOVUXZVEOGFKM-QGZVFWFLSA-N 1 3 339.524 2.258 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N[C@H]1CC12CCN(C[C@H](F)CC)CC2 ZINC001490606855 1291518455 /nfs/dbraw/zinc/51/84/55/1291518455.db2.gz VOPYOBVQNWKYRF-CVEARBPZSA-N 1 3 327.488 2.437 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N[C@H]1CC12CCN(C[C@H](F)CC)CC2 ZINC001490606855 1291518461 /nfs/dbraw/zinc/51/84/61/1291518461.db2.gz VOPYOBVQNWKYRF-CVEARBPZSA-N 1 3 327.488 2.437 10 0 EEAEHO O=C(C=C1CC[NH2+]CC1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000852864390 1292218866 /nfs/dbraw/zinc/21/88/66/1292218866.db2.gz UPHVRBYNTMTHHC-UHFFFAOYSA-N 1 3 343.471 2.139 10 0 EEAEHO CCN(C)Cc1cc(O[C@H]2CCN(CC[C@H]3CCC[N@@H+]3C)C2)ccn1 ZINC000856585195 1293573119 /nfs/dbraw/zinc/57/31/19/1293573119.db2.gz ANUDQDYEYNWLHW-QUCCMNQESA-N 1 3 346.519 2.471 10 0 EEAEHO CCN(C)Cc1cc(O[C@H]2CCN(CC[C@H]3CCC[N@H+]3C)C2)ccn1 ZINC000856585195 1293573123 /nfs/dbraw/zinc/57/31/23/1293573123.db2.gz ANUDQDYEYNWLHW-QUCCMNQESA-N 1 3 346.519 2.471 10 0 EEAEHO CCO[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)CN(C)C ZINC000926960116 1296969526 /nfs/dbraw/zinc/96/95/26/1296969526.db2.gz DQCFXOAMWMIYSH-MISYRCLQSA-N 1 3 333.520 2.453 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)Nc2ccc(OCC[NH3+])cc2)cc(Cl)n1 ZINC000841849788 1315622714 /nfs/dbraw/zinc/62/27/14/1315622714.db2.gz LGYKXRGCSOGXPF-HNNXBMFYSA-N 1 3 348.834 2.410 10 0 EEAEHO Cn1cc([C@@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000842684180 1315753704 /nfs/dbraw/zinc/75/37/04/1315753704.db2.gz IRXFCVSIHBLBLO-MOPGFXCFSA-N 1 3 340.471 2.240 10 0 EEAEHO Cn1cc([C@@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000842684180 1315753707 /nfs/dbraw/zinc/75/37/07/1315753707.db2.gz IRXFCVSIHBLBLO-MOPGFXCFSA-N 1 3 340.471 2.240 10 0 EEAEHO C[C@]1(C[NH2+]CCCc2ccsc2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001278556910 1317225066 /nfs/dbraw/zinc/22/50/66/1317225066.db2.gz ZDSJQQDQQXNHNP-GOSISDBHSA-N 1 3 346.500 2.475 10 0 EEAEHO C[NH+](C)CCc1ccc(C(=O)N[C@@H](CNCCF)C(C)(C)C)cc1 ZINC001279003273 1318970907 /nfs/dbraw/zinc/97/09/07/1318970907.db2.gz VMRQIIJGLYPOOT-KRWDZBQOSA-N 1 3 337.483 2.494 10 0 EEAEHO CC(C)[C@@H](C(=O)NCCCN(C)Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001264997889 1322845569 /nfs/dbraw/zinc/84/55/69/1322845569.db2.gz XSFBRSUIQMFBDL-KRWDZBQOSA-N 1 3 341.446 2.489 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001265422174 1323147492 /nfs/dbraw/zinc/14/74/92/1323147492.db2.gz CWLZOZDYMMQTIH-VYDDFXDLSA-N 1 3 327.472 2.375 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001265636208 1323285189 /nfs/dbraw/zinc/28/51/89/1323285189.db2.gz FRVSTXSYJQBBML-HKFHSAMXSA-N 1 3 327.900 2.442 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCCC[N@H+](C)C/C=C/c2ccccc2)C1 ZINC001265923670 1323490171 /nfs/dbraw/zinc/49/01/71/1323490171.db2.gz URSAXYJLVJMWNC-WGLAMXGCSA-N 1 3 329.488 2.480 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NCCC[N@@H+](C)C/C=C/c2ccccc2)C1 ZINC001265923670 1323490175 /nfs/dbraw/zinc/49/01/75/1323490175.db2.gz URSAXYJLVJMWNC-WGLAMXGCSA-N 1 3 329.488 2.480 10 0 EEAEHO Cc1oncc1C[N@H+]1CCC[C@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001266220265 1323791249 /nfs/dbraw/zinc/79/12/49/1323791249.db2.gz QMVQZZAQCDXCBQ-QGZVFWFLSA-N 1 3 348.491 2.328 10 0 EEAEHO Cc1oncc1C[N@@H+]1CCC[C@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001266220265 1323791257 /nfs/dbraw/zinc/79/12/57/1323791257.db2.gz QMVQZZAQCDXCBQ-QGZVFWFLSA-N 1 3 348.491 2.328 10 0 EEAEHO CCOCC[NH2+]CC1(NC(=O)CN2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001282636652 1325755921 /nfs/dbraw/zinc/75/59/21/1325755921.db2.gz RIIGNZBVEHWIMW-CALCHBBNSA-N 1 3 339.524 2.304 10 0 EEAEHO O=C(CCCC[NH+]1CCCC1)NCC1[C@H]2CN(C/C=C\Cl)C[C@@H]12 ZINC001282894147 1325825681 /nfs/dbraw/zinc/82/56/81/1325825681.db2.gz JPPHTHXSCIGOSX-HPMDPLCASA-N 1 3 339.911 2.299 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CCCF)C1 ZINC001284735976 1326688826 /nfs/dbraw/zinc/68/88/26/1326688826.db2.gz DXYCDZFUXWLCON-CHWSQXEVSA-N 1 3 341.393 2.055 10 0 EEAEHO Cc1ncccc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001491601349 1330180469 /nfs/dbraw/zinc/18/04/69/1330180469.db2.gz JQSXNXBBVAPWEW-MAUKXSAKSA-N 1 3 332.492 2.247 10 0 EEAEHO Cc1cnc(C[NH2+][C@H]2CCC[C@H](NC(=O)CN(C)C(C)C)C2)s1 ZINC001491896164 1330294236 /nfs/dbraw/zinc/29/42/36/1330294236.db2.gz KVPZLRHBJIPQMR-GJZGRUSLSA-N 1 3 338.521 2.309 10 0 EEAEHO COCCCCC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001316774926 1331887023 /nfs/dbraw/zinc/88/70/23/1331887023.db2.gz WDZZBWBKIBOERA-INIZCTEOSA-N 1 3 336.480 2.130 10 0 EEAEHO COCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)[C@H]1C ZINC001316799760 1331899730 /nfs/dbraw/zinc/89/97/30/1331899730.db2.gz HVNBKMBXMVTTNK-SQNIBIBYSA-N 1 3 339.524 2.112 10 0 EEAEHO COCCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)[C@H]1C ZINC001316799760 1331899737 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COc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CC[C@@H](C)C2)ccc1C ZINC001438686164 1091186398 /nfs/dbraw/zinc/18/63/98/1091186398.db2.gz RFAKPBRHCVGNGI-NVXWUHKLSA-N 1 3 347.503 2.282 10 0 EEAEHO Cc1ncsc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001438956922 1091649544 /nfs/dbraw/zinc/64/95/44/1091649544.db2.gz FMKXYGGZPIFWGX-HUUCEWRRSA-N 1 3 338.521 2.166 10 0 EEAEHO C[C@H](CNCc1ccc(Cl)s1)NC(=O)C12CC[NH+](CC1)C2 ZINC001439168870 1091817051 /nfs/dbraw/zinc/81/70/51/1091817051.db2.gz UFTODYSSZJYHFA-LLVKDONJSA-N 1 3 327.881 2.092 10 0 EEAEHO C[C@H](C[N@H+](C)CCC1CC1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001439366392 1092092174 /nfs/dbraw/zinc/09/21/74/1092092174.db2.gz MRDBCJDSNTXAAV-RDTXWAMCSA-N 1 3 327.488 2.436 10 0 EEAEHO C[C@H](C[N@@H+](C)CCC1CC1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001439366392 1092092182 /nfs/dbraw/zinc/09/21/82/1092092182.db2.gz MRDBCJDSNTXAAV-RDTXWAMCSA-N 1 3 327.488 2.436 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cnccc1C)C2 ZINC001440106563 1093167623 /nfs/dbraw/zinc/16/76/23/1093167623.db2.gz FGABIDQZJLOJLO-UHOSZYNNSA-N 1 3 344.503 2.201 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cnccc1C)C2 ZINC001440106563 1093167626 /nfs/dbraw/zinc/16/76/26/1093167626.db2.gz FGABIDQZJLOJLO-UHOSZYNNSA-N 1 3 344.503 2.201 10 0 EEAEHO CCC1([NH2+]Cc2nccs2)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001440538317 1093804711 /nfs/dbraw/zinc/80/47/11/1093804711.db2.gz KHKMIYBLYDVNQN-UHFFFAOYSA-N 1 3 338.521 2.344 10 0 EEAEHO CCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1c1ccc(OC)cc1 ZINC001440560640 1093830410 /nfs/dbraw/zinc/83/04/10/1093830410.db2.gz JOFKGFOARSRWHF-RBUKOAKNSA-N 1 3 347.503 2.331 10 0 EEAEHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@H](NCC=C(Cl)Cl)C(C)(C)C2)C1 ZINC001449086209 1094099051 /nfs/dbraw/zinc/09/90/51/1094099051.db2.gz OAPYIIICZLPVQR-OLZOCXBDSA-N 1 3 348.318 2.474 10 0 EEAEHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H](NCC=C(Cl)Cl)C(C)(C)C2)C1 ZINC001449086209 1094099054 /nfs/dbraw/zinc/09/90/54/1094099054.db2.gz OAPYIIICZLPVQR-OLZOCXBDSA-N 1 3 348.318 2.474 10 0 EEAEHO Cc1ccncc1CN1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001441473205 1095137521 /nfs/dbraw/zinc/13/75/21/1095137521.db2.gz JDVCIFUISOVXLV-MJGOQNOKSA-N 1 3 344.503 2.155 10 0 EEAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC[C@H]1CCCCO1 ZINC001443956873 1098476414 /nfs/dbraw/zinc/47/64/14/1098476414.db2.gz BBGQKHMKXZUKIV-IAGOWNOFSA-N 1 3 339.524 2.304 10 0 EEAEHO Cc1cncc(C[NH2+]C2(CNC(=O)CN(C)C(C)C)CCCC2)c1 ZINC001444534864 1099307410 /nfs/dbraw/zinc/30/74/10/1099307410.db2.gz IYLUUHSXSKAEJM-UHFFFAOYSA-N 1 3 332.492 2.249 10 0 EEAEHO Cc1ncccc1CN1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001480189642 1099787238 /nfs/dbraw/zinc/78/72/38/1099787238.db2.gz QBFXMBVVMNSFJZ-RBUKOAKNSA-N 1 3 344.503 2.155 10 0 EEAEHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(Cl)c(OC)c1)N(C)C ZINC001480487247 1100297419 /nfs/dbraw/zinc/29/74/19/1100297419.db2.gz UEFWKLFYCFIQHY-IUODEOHRSA-N 1 3 341.883 2.283 10 0 EEAEHO Cc1ncc(CN[C@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)s1 ZINC001480561629 1100403722 /nfs/dbraw/zinc/40/37/22/1100403722.db2.gz IEJMVQIWIAAPBL-CYBMUJFWSA-N 1 3 338.521 2.166 10 0 EEAEHO CC(C)[C@@H](C(=O)N(C)[C@H](C)CNCc1ccccn1)[NH+]1CCCC1 ZINC001496252281 1100821177 /nfs/dbraw/zinc/82/11/77/1100821177.db2.gz XSKURKOCCJKYFV-AEFFLSMTSA-N 1 3 332.492 2.139 10 0 EEAEHO Cc1cccnc1C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001446415625 1100825803 /nfs/dbraw/zinc/82/58/03/1100825803.db2.gz FJUBILQPDTXRGZ-IRXDYDNUSA-N 1 3 332.492 2.199 10 0 EEAEHO Cc1nocc1CNCC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001496415372 1101008886 /nfs/dbraw/zinc/00/88/86/1101008886.db2.gz TWMQKECAVQPQEQ-AEFFLSMTSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1nocc1CNCC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001496415372 1101008893 /nfs/dbraw/zinc/00/88/93/1101008893.db2.gz TWMQKECAVQPQEQ-AEFFLSMTSA-N 1 3 348.491 2.186 10 0 EEAEHO CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cnccc2C)C1)N(C)C ZINC001495359771 1101074306 /nfs/dbraw/zinc/07/43/06/1101074306.db2.gz NGCANDVFYXPOKQ-PKOBYXMFSA-N 1 3 346.519 2.449 10 0 EEAEHO Cc1cc(CNC[C@@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)sn1 ZINC001496484480 1101076663 /nfs/dbraw/zinc/07/66/63/1101076663.db2.gz XAWNCMBRVCVDRF-XJKSGUPXSA-N 1 3 338.521 2.120 10 0 EEAEHO Cc1cnc(CNC[C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001495720281 1101482733 /nfs/dbraw/zinc/48/27/33/1101482733.db2.gz OREZVSCTICQYDC-CYBMUJFWSA-N 1 3 338.521 2.168 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]Cc1cc(F)cc(F)c1 ZINC001495813550 1101631948 /nfs/dbraw/zinc/63/19/48/1101631948.db2.gz NCFYSMNWQWCKOE-CYBMUJFWSA-N 1 3 327.419 2.147 10 0 EEAEHO CCc1cccc(OCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)c1 ZINC001496029546 1101953763 /nfs/dbraw/zinc/95/37/63/1101953763.db2.gz YNLNNMQYFHIRHE-QFBILLFUSA-N 1 3 347.503 2.159 10 0 EEAEHO CCC1([NH2+]C[C@@H]2CCCCO2)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001447410027 1102605986 /nfs/dbraw/zinc/60/59/86/1102605986.db2.gz CGIKQYSHIIWVCX-DLBZAZTESA-N 1 3 337.508 2.011 10 0 EEAEHO Cc1cncc(CNC/C=C\CNC(=O)CC[C@@H]2CCC[N@H+]2C)c1 ZINC001497601958 1102732626 /nfs/dbraw/zinc/73/26/26/1102732626.db2.gz VARMBXXMVPXFRT-JXCVUKRWSA-N 1 3 330.476 2.026 10 0 EEAEHO Cc1cncc(CNC/C=C\CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001497601958 1102732632 /nfs/dbraw/zinc/73/26/32/1102732632.db2.gz VARMBXXMVPXFRT-JXCVUKRWSA-N 1 3 330.476 2.026 10 0 EEAEHO Cc1ncc(CN[C@@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001447675492 1103097777 /nfs/dbraw/zinc/09/77/77/1103097777.db2.gz NJLPZYAYQSMHRQ-WMLDXEAASA-N 1 3 336.480 2.230 10 0 EEAEHO Cc1ncc(CN[C@@H](C)CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)o1 ZINC001447675492 1103097791 /nfs/dbraw/zinc/09/77/91/1103097791.db2.gz NJLPZYAYQSMHRQ-WMLDXEAASA-N 1 3 336.480 2.230 10 0 EEAEHO Cc1ccccc1OCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001497816183 1103141642 /nfs/dbraw/zinc/14/16/42/1103141642.db2.gz LVVFJFSBOQPXRW-QZTJIDSGSA-N 1 3 347.503 2.341 10 0 EEAEHO Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)c2sccc2CN(C)C)o1 ZINC001497823130 1103153337 /nfs/dbraw/zinc/15/33/37/1103153337.db2.gz WRJPNTIJMYNUMB-LLVKDONJSA-N 1 3 336.461 2.014 10 0 EEAEHO COc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1C ZINC001447872613 1103488233 /nfs/dbraw/zinc/48/82/33/1103488233.db2.gz SCWADCUMPVCZIR-JKSUJKDBSA-N 1 3 347.503 2.471 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CCOCC1 ZINC001448104962 1104011264 /nfs/dbraw/zinc/01/12/64/1104011264.db2.gz SEXJZXZQVZOGMI-WMZOPIPTSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CCOCC1 ZINC001448104962 1104011275 /nfs/dbraw/zinc/01/12/75/1104011275.db2.gz SEXJZXZQVZOGMI-WMZOPIPTSA-N 1 3 339.524 2.112 10 0 EEAEHO C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCC(F)(F)C1 ZINC001494666662 1104252474 /nfs/dbraw/zinc/25/24/74/1104252474.db2.gz ITYCPEUBZXUSFT-ILXRZTDVSA-N 1 3 329.435 2.049 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)NCc1cncc(F)c1 ZINC001494990826 1104635057 /nfs/dbraw/zinc/63/50/57/1104635057.db2.gz WCBYKSUSHGNHQM-DLBZAZTESA-N 1 3 336.455 2.080 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)NCc1cncc(F)c1 ZINC001494990826 1104635063 /nfs/dbraw/zinc/63/50/63/1104635063.db2.gz WCBYKSUSHGNHQM-DLBZAZTESA-N 1 3 336.455 2.080 10 0 EEAEHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001480655133 1106827214 /nfs/dbraw/zinc/82/72/14/1106827214.db2.gz YICNOIJOXYRJLZ-DOOVCASASA-N 1 3 334.291 2.228 10 0 EEAEHO CN(CCC[NH2+]CC1CCC1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001498613462 1107810850 /nfs/dbraw/zinc/81/08/50/1107810850.db2.gz RBNQVOYMZFTHGM-GOSISDBHSA-N 1 3 327.488 2.437 10 0 EEAEHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001493769163 1108643849 /nfs/dbraw/zinc/64/38/49/1108643849.db2.gz JHUSMBUVHMEUFA-KRWDZBQOSA-N 1 3 339.430 2.342 10 0 EEAEHO CC(C)n1ccc(CN[C@H](C)C2CCN(C(=O)CC[NH+](C)C)CC2)n1 ZINC001493837723 1108720759 /nfs/dbraw/zinc/72/07/59/1108720759.db2.gz XKGNFDSOMTXTGH-MRXNPFEDSA-N 1 3 349.523 2.132 10 0 EEAEHO Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)o1 ZINC001479455012 1110697409 /nfs/dbraw/zinc/69/74/09/1110697409.db2.gz UYLAVKOLPKWPIF-JKSUJKDBSA-N 1 3 348.491 2.150 10 0 EEAEHO CN(C(=O)CCC[NH+]1CCCC1)C1CN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001499795681 1112488425 /nfs/dbraw/zinc/48/84/25/1112488425.db2.gz SXTOPMLGSUASEO-KURKYZTESA-N 1 3 333.520 2.441 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001501152711 1113216651 /nfs/dbraw/zinc/21/66/51/1113216651.db2.gz CVKVHEPFZOVTCX-KWVWSUDGSA-N 1 3 336.307 2.330 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2c3ccccc3CCN2CC2CC2)C1 ZINC001503690118 1113898957 /nfs/dbraw/zinc/89/89/57/1113898957.db2.gz FCHSLNUZPDLCKV-XLIONFOSSA-N 1 3 341.499 2.454 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2c3ccccc3CCN2CC2CC2)C1 ZINC001503690118 1113898959 /nfs/dbraw/zinc/89/89/59/1113898959.db2.gz FCHSLNUZPDLCKV-XLIONFOSSA-N 1 3 341.499 2.454 10 0 EEAEHO CCCC[C@@H](CNCc1cncs1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001506539821 1114684663 /nfs/dbraw/zinc/68/46/63/1114684663.db2.gz DWEBQSQZCCPNOG-IJEWVQPXSA-N 1 3 338.521 2.248 10 0 EEAEHO CCCC[C@@H](CNCc1cncs1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001506539821 1114684664 /nfs/dbraw/zinc/68/46/64/1114684664.db2.gz DWEBQSQZCCPNOG-IJEWVQPXSA-N 1 3 338.521 2.248 10 0 EEAEHO CCCC[C@H](CNCc1cncs1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001506539819 1114684689 /nfs/dbraw/zinc/68/46/89/1114684689.db2.gz DWEBQSQZCCPNOG-IIAWOOMASA-N 1 3 338.521 2.248 10 0 EEAEHO CCCC[C@H](CNCc1cncs1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001506539819 1114684692 /nfs/dbraw/zinc/68/46/92/1114684692.db2.gz DWEBQSQZCCPNOG-IIAWOOMASA-N 1 3 338.521 2.248 10 0 EEAEHO Cc1cnc(CNCCC[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)s1 ZINC001506938653 1114988647 /nfs/dbraw/zinc/98/86/47/1114988647.db2.gz UVSLFBGXWWCAHZ-ZIAGYGMSSA-N 1 3 338.521 2.168 10 0 EEAEHO Cc1cnc(CNCCC[C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)s1 ZINC001506938653 1114988649 /nfs/dbraw/zinc/98/86/49/1114988649.db2.gz UVSLFBGXWWCAHZ-ZIAGYGMSSA-N 1 3 338.521 2.168 10 0 EEAEHO CC(C)[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccnc1 ZINC001506986879 1115033476 /nfs/dbraw/zinc/03/34/76/1115033476.db2.gz HIJPQQWTBIGJHF-QGZVFWFLSA-N 1 3 332.492 2.186 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC/C=C\C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001568920014 1124948988 /nfs/dbraw/zinc/94/89/88/1124948988.db2.gz NFXNYDFRKHFERX-YPQKKHBXSA-N 1 3 340.471 2.272 10 0 EEAEHO CCN1CCN(CC[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000053937265 214206910 /nfs/dbraw/zinc/20/69/10/214206910.db2.gz CEOLVFOJROVIAW-HNNXBMFYSA-N 1 3 326.282 2.477 10 0 EEAEHO CN(Cc1cnn(C)c1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000171589595 530017870 /nfs/dbraw/zinc/01/78/70/530017870.db2.gz RVURMMKUBKAWBN-FQEVSTJZSA-N 1 3 342.487 2.298 10 0 EEAEHO C[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1cccc(OCCN(C)C)c1 ZINC000453266202 299317912 /nfs/dbraw/zinc/31/79/12/299317912.db2.gz OBCQKEFZWDBESS-PKOBYXMFSA-N 1 3 349.519 2.124 10 0 EEAEHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000439213651 242073939 /nfs/dbraw/zinc/07/39/39/242073939.db2.gz MDZSKZJJNODPEF-BQFCYCMXSA-N 1 3 339.524 2.159 10 0 EEAEHO C[C@H](NCCOCC[NH+](C)C)c1ccc(-n2cncn2)cc1Cl ZINC000447593961 242293056 /nfs/dbraw/zinc/29/30/56/242293056.db2.gz WBEKBZKMSXQEEM-ZDUSSCGKSA-N 1 3 337.855 2.150 10 0 EEAEHO Cc1nc(C[C@H]2CCC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)no1 ZINC000191478881 152257728 /nfs/dbraw/zinc/25/77/28/152257728.db2.gz YGIVEMJYVLDUPZ-GOSISDBHSA-N 1 3 349.523 2.049 10 0 EEAEHO Cc1nc(C[C@H]2CCC[N@H+](CCCN3CCN(C(C)C)CC3)C2)no1 ZINC000191478881 152257729 /nfs/dbraw/zinc/25/77/29/152257729.db2.gz YGIVEMJYVLDUPZ-GOSISDBHSA-N 1 3 349.523 2.049 10 0 EEAEHO CN(C)CCOc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000261620330 160402433 /nfs/dbraw/zinc/40/24/33/160402433.db2.gz BZXADRYKJOPCDC-WBAXXEDZSA-N 1 3 331.460 2.486 10 0 EEAEHO C[C@@H]1CN(CCC2CC[NH+](CC[C@H]3CCOC3=O)CC2)C[C@H](C)O1 ZINC000246391859 160276564 /nfs/dbraw/zinc/27/65/64/160276564.db2.gz JYAGHJZFONZOIT-JZXOWHBKSA-N 1 3 338.492 2.151 10 0 EEAEHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246821887 160295752 /nfs/dbraw/zinc/29/57/52/160295752.db2.gz WJKKBBWRCGJQAR-MOPGFXCFSA-N 1 3 342.487 2.141 10 0 EEAEHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246821887 160295753 /nfs/dbraw/zinc/29/57/53/160295753.db2.gz WJKKBBWRCGJQAR-MOPGFXCFSA-N 1 3 342.487 2.141 10 0 EEAEHO CN1CC[C@H](NC(=O)N2CCC[C@@H]([NH+](C)C)C2)[C@@H]1c1ccccc1 ZINC000248132053 160339000 /nfs/dbraw/zinc/33/90/00/160339000.db2.gz WQKMFPKSWAKMAJ-SQNIBIBYSA-N 1 3 330.476 2.167 10 0 EEAEHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000376784901 167392355 /nfs/dbraw/zinc/39/23/55/167392355.db2.gz RBRWZLJOXPQIPA-RDJZCZTQSA-N 1 3 342.487 2.348 10 0 EEAEHO Cc1cc2ncn(C[C@H](O)CN3CC[C@]4(CC[N@@H+](C)C4)C3)c2cc1C ZINC000292063886 275370349 /nfs/dbraw/zinc/37/03/49/275370349.db2.gz CSZFVHONUBNSIT-XLIONFOSSA-N 1 3 342.487 2.042 10 0 EEAEHO Cc1cc2ncn(C[C@H](O)CN3CC[C@]4(CC[N@H+](C)C4)C3)c2cc1C ZINC000292063886 275370351 /nfs/dbraw/zinc/37/03/51/275370351.db2.gz CSZFVHONUBNSIT-XLIONFOSSA-N 1 3 342.487 2.042 10 0 EEAEHO C[N@@H+]1CC[C@@]2(CCN(CCC(=O)NCc3ccccc3Cl)C2)C1 ZINC000292198325 275392538 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EEAEHO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)NCCF ZINC000282964082 463716528 /nfs/dbraw/zinc/71/65/28/463716528.db2.gz ZVOLFGNLFPHZOJ-DDBAPUKQSA-N 1 3 333.451 2.246 10 0 EEAEHO c1nn(-c2ccccc2)cc1CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261961648 463911164 /nfs/dbraw/zinc/91/11/64/463911164.db2.gz PRMGFPACXHQTHI-OTWHNJEPSA-N 1 3 326.444 2.119 10 0 EEAEHO C[C@@H]1CCCCN1CCC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000263830931 464209259 /nfs/dbraw/zinc/20/92/59/464209259.db2.gz AVSBQCRLUNURLF-OAHLLOKOSA-N 1 3 329.444 2.137 10 0 EEAEHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCN1C ZINC000246113854 464546170 /nfs/dbraw/zinc/54/61/70/464546170.db2.gz HZGKKZQMVKAWBO-OWCLPIDISA-N 1 3 326.529 2.477 10 0 EEAEHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000246489932 464591679 /nfs/dbraw/zinc/59/16/79/464591679.db2.gz MEZPAURLDNZGIV-AEFFLSMTSA-N 1 3 327.472 2.003 10 0 EEAEHO CN1CC[C@H](NC(=O)NCCC[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000340181215 465850362 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334.460 2.200 10 0 EEAEHO COc1cc(OC)cc([C@H](O)CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367619997 466453559 /nfs/dbraw/zinc/45/35/59/466453559.db2.gz XNQPMKOMESEMQA-AKHDSKFASA-N 1 3 334.460 2.200 10 0 EEAEHO COc1cc(OC)cc([C@H](O)CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367619997 466453567 /nfs/dbraw/zinc/45/35/67/466453567.db2.gz XNQPMKOMESEMQA-AKHDSKFASA-N 1 3 334.460 2.200 10 0 EEAEHO CC1CC[NH+](CCCCNC(=O)N2CC[C@@H](N3CC=CC3)C2)CC1 ZINC000363564929 466481836 /nfs/dbraw/zinc/48/18/36/466481836.db2.gz ZKAHHNHDIILROJ-GOSISDBHSA-N 1 3 334.508 2.154 10 0 EEAEHO CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000310550654 466515719 /nfs/dbraw/zinc/51/57/19/466515719.db2.gz UJIAOTXRJDBJKZ-PKOBYXMFSA-N 1 3 329.488 2.484 10 0 EEAEHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCNC[C@H]2C)cc1 ZINC000423390324 466736562 /nfs/dbraw/zinc/73/65/62/466736562.db2.gz KAHSZHOIHBWUMJ-WWGRRREGSA-N 1 3 325.478 2.097 10 0 EEAEHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000417194831 466799161 /nfs/dbraw/zinc/79/91/61/466799161.db2.gz NCVJIJJYGNXHGQ-ZWKOTPCHSA-N 1 3 334.508 2.174 10 0 EEAEHO CN(C(=O)NCCC[NH2+]C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418288193 467088714 /nfs/dbraw/zinc/08/87/14/467088714.db2.gz VTWBJPSVAQWDNS-SFHVURJKSA-N 1 3 330.476 2.044 10 0 EEAEHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCOCCOc3ccccc3)CC2)C1 ZINC000420385797 467389353 /nfs/dbraw/zinc/38/93/53/467389353.db2.gz IBOIMWFEYLUXTJ-UYAOXDASSA-N 1 3 348.487 2.300 10 0 EEAEHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000389969586 467404537 /nfs/dbraw/zinc/40/45/37/467404537.db2.gz ZFJZPICEHHDUGF-OXJNMPFZSA-N 1 3 337.467 2.438 10 0 EEAEHO CN(C)CCOc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1F ZINC000458303687 467806031 /nfs/dbraw/zinc/80/60/31/467806031.db2.gz YHPURQPRVANZOC-UHFFFAOYSA-N 1 3 337.439 2.437 10 0 EEAEHO CC(C)[C@@H]1CNCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000529320151 467845583 /nfs/dbraw/zinc/84/55/83/467845583.db2.gz KTGQLLJFALZWDI-FGTMMUONSA-N 1 3 330.476 2.071 10 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469286005 /nfs/dbraw/zinc/28/60/05/469286005.db2.gz YIZUCSSGBQRJEG-FQEVSTJZSA-N 1 3 345.487 2.185 10 0 EEAEHO CN(C)CCOc1ccccc1C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000615621538 469286010 /nfs/dbraw/zinc/28/60/10/469286010.db2.gz YIZUCSSGBQRJEG-FQEVSTJZSA-N 1 3 345.487 2.185 10 0 EEAEHO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625940498 469441847 /nfs/dbraw/zinc/44/18/47/469441847.db2.gz CSFFSFOUNRDKGI-CQSZACIVSA-N 1 3 334.464 2.411 10 0 EEAEHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625940498 469441853 /nfs/dbraw/zinc/44/18/53/469441853.db2.gz CSFFSFOUNRDKGI-CQSZACIVSA-N 1 3 334.464 2.411 10 0 EEAEHO Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000617503400 469700541 /nfs/dbraw/zinc/70/05/41/469700541.db2.gz HLGBIKTVVVWERX-DLBZAZTESA-N 1 3 335.492 2.151 10 0 EEAEHO Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000617503400 469700544 /nfs/dbraw/zinc/70/05/44/469700544.db2.gz HLGBIKTVVVWERX-DLBZAZTESA-N 1 3 335.492 2.151 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000617504507 469701447 /nfs/dbraw/zinc/70/14/47/469701447.db2.gz ZANDWANDWVFVHE-BMGDILEWSA-N 1 3 335.467 2.317 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000617504507 469701448 /nfs/dbraw/zinc/70/14/48/469701448.db2.gz ZANDWANDWVFVHE-BMGDILEWSA-N 1 3 335.467 2.317 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(c2ccccc2F)CC1 ZINC000617505626 469704232 /nfs/dbraw/zinc/70/42/32/469704232.db2.gz KOZYUBDLACQYFJ-HNNXBMFYSA-N 1 3 335.467 2.246 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(c2ccccc2F)CC1 ZINC000617505626 469704237 /nfs/dbraw/zinc/70/42/37/469704237.db2.gz KOZYUBDLACQYFJ-HNNXBMFYSA-N 1 3 335.467 2.246 10 0 EEAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000617507863 469707909 /nfs/dbraw/zinc/70/79/09/469707909.db2.gz LZFBLCDVDAQQPH-IHRRRGAJSA-N 1 3 337.430 2.353 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000617507863 469707916 /nfs/dbraw/zinc/70/79/16/469707916.db2.gz LZFBLCDVDAQQPH-IHRRRGAJSA-N 1 3 337.430 2.353 10 0 EEAEHO CCN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000617556012 469725644 /nfs/dbraw/zinc/72/56/44/469725644.db2.gz HXIKDBWMBSKPMV-MOPGFXCFSA-N 1 3 329.488 2.451 10 0 EEAEHO CCN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000617556012 469725647 /nfs/dbraw/zinc/72/56/47/469725647.db2.gz HXIKDBWMBSKPMV-MOPGFXCFSA-N 1 3 329.488 2.451 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000627169089 469832910 /nfs/dbraw/zinc/83/29/10/469832910.db2.gz ODXXZVDQZJYOLR-DLBZAZTESA-N 1 3 336.455 2.039 10 0 EEAEHO CC[C@@H]1CN(C(=O)c2ccc(N3CCN(CC)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000620903570 469944690 /nfs/dbraw/zinc/94/46/90/469944690.db2.gz VSYOCJBHLJNNCJ-FUHWJXTLSA-N 1 3 344.503 2.041 10 0 EEAEHO CC[C@H](C(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C)[NH+](CC)CC ZINC000620915442 469950147 /nfs/dbraw/zinc/95/01/47/469950147.db2.gz KRZLJSDFZWYNQE-IAGOWNOFSA-N 1 3 339.524 2.209 10 0 EEAEHO COCCN1CC[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000631196825 470090890 /nfs/dbraw/zinc/09/08/90/470090890.db2.gz VOIPLQDOEVBHTH-IHPCNDPISA-N 1 3 331.504 2.065 10 0 EEAEHO COCCN1CC[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000631196825 470090893 /nfs/dbraw/zinc/09/08/93/470090893.db2.gz VOIPLQDOEVBHTH-IHPCNDPISA-N 1 3 331.504 2.065 10 0 EEAEHO COCCN1CC[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000631196825 470090895 /nfs/dbraw/zinc/09/08/95/470090895.db2.gz VOIPLQDOEVBHTH-IHPCNDPISA-N 1 3 331.504 2.065 10 0 EEAEHO O=C1c2ccccc2C(=O)N1CCCCN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886123 470189555 /nfs/dbraw/zinc/18/95/55/470189555.db2.gz GOMKOILDQURPSQ-MAUKXSAKSA-N 1 3 341.455 2.137 10 0 EEAEHO O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCC[C@H]2CNCC[C@H]21 ZINC000631886123 470189556 /nfs/dbraw/zinc/18/95/56/470189556.db2.gz GOMKOILDQURPSQ-MAUKXSAKSA-N 1 3 341.455 2.137 10 0 EEAEHO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CCC[C@H]2CNCC[C@H]21 ZINC000631886123 470189557 /nfs/dbraw/zinc/18/95/57/470189557.db2.gz GOMKOILDQURPSQ-MAUKXSAKSA-N 1 3 341.455 2.137 10 0 EEAEHO c1cc(N2CCNCC2)cc(N[C@@H]2CCCC[C@H]2[C@@H]2CCOC2)[nH+]1 ZINC000635007079 470399747 /nfs/dbraw/zinc/39/97/47/470399747.db2.gz DSWNGWOFCVOKHJ-BPQIPLTHSA-N 1 3 330.476 2.498 10 0 EEAEHO C[C@@H]1CC[C@@H](CN)[N@H+](CCCN2C(=O)c3ccccc3C2=O)[C@@H]1C ZINC000641805038 470488056 /nfs/dbraw/zinc/48/80/56/470488056.db2.gz DIISSYQHDSJDTG-KFWWJZLASA-N 1 3 329.444 2.120 10 0 EEAEHO C[C@@H]1CC[C@@H](CN)[N@@H+](CCCN2C(=O)c3ccccc3C2=O)[C@@H]1C ZINC000641805038 470488060 /nfs/dbraw/zinc/48/80/60/470488060.db2.gz DIISSYQHDSJDTG-KFWWJZLASA-N 1 3 329.444 2.120 10 0 EEAEHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCCc2c1ccc(=O)n2C ZINC000650764574 470961245 /nfs/dbraw/zinc/96/12/45/470961245.db2.gz DLZHBXNAGLKUNO-BMGDILEWSA-N 1 3 325.456 2.311 10 0 EEAEHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1CCC(F)(F)CC1 ZINC000654705535 471137633 /nfs/dbraw/zinc/13/76/33/471137633.db2.gz KXJIAEHNRCZKIL-AWEZNQCLSA-N 1 3 348.482 2.335 10 0 EEAEHO COc1cc2c(cc1CN[C@@H](C)CN(C)CCC[NH+](C)C)O[C@H](C)C2 ZINC000657574209 471173715 /nfs/dbraw/zinc/17/37/15/471173715.db2.gz UAKJWVDVGFXLEV-JKSUJKDBSA-N 1 3 349.519 2.380 10 0 EEAEHO COC[C@@H](CC1CCOCC1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000657918189 471248328 /nfs/dbraw/zinc/24/83/28/471248328.db2.gz BAMXOFCVNMNFTK-ZIFCJYIRSA-N 1 3 342.524 2.297 10 0 EEAEHO CN(CC1CN(C)C1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000663449161 471383012 /nfs/dbraw/zinc/38/30/12/471383012.db2.gz BUZOLXHAIAQZOK-HNNXBMFYSA-N 1 3 336.505 2.088 10 0 EEAEHO C[NH+]1CCC(CN[C@@H]2CCCn3ccnc32)(N2CCCCC2)CC1 ZINC000655720037 471456073 /nfs/dbraw/zinc/45/60/73/471456073.db2.gz NXSOHEMEMWXKKF-QGZVFWFLSA-N 1 3 331.508 2.258 10 0 EEAEHO CN1CCC(CN[C@@H]2CCCn3ccnc32)([NH+]2CCCCC2)CC1 ZINC000655720037 471456078 /nfs/dbraw/zinc/45/60/78/471456078.db2.gz NXSOHEMEMWXKKF-QGZVFWFLSA-N 1 3 331.508 2.258 10 0 EEAEHO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659033109 471476776 /nfs/dbraw/zinc/47/67/76/471476776.db2.gz IARHKSGVGGGORI-GOSISDBHSA-N 1 3 346.475 2.342 10 0 EEAEHO CN1CCC[C@H](NC(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)C1 ZINC000663775297 471512569 /nfs/dbraw/zinc/51/25/69/471512569.db2.gz WKYSQTKHQQLJGQ-OALUTQOASA-N 1 3 344.503 2.039 10 0 EEAEHO CN1CCC[C@H](NC(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)C1 ZINC000663775297 471512574 /nfs/dbraw/zinc/51/25/74/471512574.db2.gz WKYSQTKHQQLJGQ-OALUTQOASA-N 1 3 344.503 2.039 10 0 EEAEHO [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000655976114 471563946 /nfs/dbraw/zinc/56/39/46/471563946.db2.gz ZGBQNQKNNLZYMW-MOPGFXCFSA-N 1 3 344.503 2.216 10 0 EEAEHO CN(C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)[C@@H]1CCN(C2CC2)C1 ZINC000659292098 471570167 /nfs/dbraw/zinc/57/01/67/471570167.db2.gz BJQPMQBAJQPFBD-FUHWJXTLSA-N 1 3 327.472 2.374 10 0 EEAEHO CCCN1CCN(c2ccccc2CN[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000656195179 471629759 /nfs/dbraw/zinc/62/97/59/471629759.db2.gz WJVGYNMDDDSKTK-MRXNPFEDSA-N 1 3 344.425 2.198 10 0 EEAEHO Cc1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c2cc(OC(F)F)ccc2n1 ZINC000656219006 471638628 /nfs/dbraw/zinc/63/86/28/471638628.db2.gz JDHYKTYYENJFCY-QWHCGFSZSA-N 1 3 349.381 2.400 10 0 EEAEHO Cc1cc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c2cc(OC(F)F)ccc2n1 ZINC000656219006 471638634 /nfs/dbraw/zinc/63/86/34/471638634.db2.gz JDHYKTYYENJFCY-QWHCGFSZSA-N 1 3 349.381 2.400 10 0 EEAEHO c1c(C[C@@H]2CCC[NH2+]C2)nnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000656455425 471722859 /nfs/dbraw/zinc/72/28/59/471722859.db2.gz GVADZSUBEFOZHC-HKUYNNGSSA-N 1 3 325.460 2.267 10 0 EEAEHO CC(C)(C)N1CC[C@@H]1CNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000661406188 471747468 /nfs/dbraw/zinc/74/74/68/471747468.db2.gz IVKVMFXFWZZKBO-QGZVFWFLSA-N 1 3 336.524 2.280 10 0 EEAEHO CCN(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000664540005 471787525 /nfs/dbraw/zinc/78/75/25/471787525.db2.gz IASLATAAVAYEKW-KURKYZTESA-N 1 3 330.476 2.167 10 0 EEAEHO CCN(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)[C@@H]1CC[N@@H+](C)C1 ZINC000664540005 471787530 /nfs/dbraw/zinc/78/75/30/471787530.db2.gz IASLATAAVAYEKW-KURKYZTESA-N 1 3 330.476 2.167 10 0 EEAEHO CCN(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000664782173 471859802 /nfs/dbraw/zinc/85/98/02/471859802.db2.gz IZAHDTBSYNJWCA-OALUTQOASA-N 1 3 344.503 2.244 10 0 EEAEHO CCN(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000664782173 471859806 /nfs/dbraw/zinc/85/98/06/471859806.db2.gz IZAHDTBSYNJWCA-OALUTQOASA-N 1 3 344.503 2.244 10 0 EEAEHO [NH3+][C@@H]1C[C@H](NCc2ccc(CN3CC[C@@H](O)C3)cc2)c2ccccc21 ZINC000665241013 471977089 /nfs/dbraw/zinc/97/70/89/471977089.db2.gz XWNCGLCPWHDNES-UIFIKXQLSA-N 1 3 337.467 2.488 10 0 EEAEHO O=C(NCCCN1CCc2ccccc2C1)C1([NH2+]C2CC2)CCC1 ZINC000662681463 472203577 /nfs/dbraw/zinc/20/35/77/472203577.db2.gz FMLOOWQLSYGRMW-UHFFFAOYSA-N 1 3 327.472 2.226 10 0 EEAEHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662746770 472232904 /nfs/dbraw/zinc/23/29/04/472232904.db2.gz NXLADBTZFBEFFS-GOSISDBHSA-N 1 3 327.472 2.394 10 0 EEAEHO CO[C@H]1CCC[C@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000684378066 485863959 /nfs/dbraw/zinc/86/39/59/485863959.db2.gz WWUINXWJTJUJRP-ROUUACIJSA-N 1 3 333.476 2.025 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCC3(F)F)CC2)CC1 ZINC000672795597 486199294 /nfs/dbraw/zinc/19/92/94/486199294.db2.gz UFIJRXKVKMQVIV-HNNXBMFYSA-N 1 3 344.450 2.032 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C(C)(C)C ZINC001284643842 1184647799 /nfs/dbraw/zinc/64/77/99/1184647799.db2.gz QKJOWZOVGRMMIO-LBPRGKRZSA-N 1 3 325.419 2.401 10 0 EEAEHO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000190061432 528439001 /nfs/dbraw/zinc/43/90/01/528439001.db2.gz PPAVNMFXBDJRGE-QZTJIDSGSA-N 1 3 332.492 2.415 10 0 EEAEHO CC[NH+](CC)CCOC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000772041510 577246909 /nfs/dbraw/zinc/24/69/09/577246909.db2.gz IRZWBHYNTHWWNI-CYBMUJFWSA-N 1 3 340.370 2.203 10 0 EEAEHO [NH3+][C@H]1CC[C@H](N(c2ccccn2)C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000895116756 683954960 /nfs/dbraw/zinc/95/49/60/683954960.db2.gz SWECHQJYLWAGOB-LNLFQRSKSA-N 1 3 344.503 2.411 10 0 EEAEHO CN(C)Cc1ccc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1Cl ZINC000897626556 691704603 /nfs/dbraw/zinc/70/46/03/691704603.db2.gz RHGSQNOBBZWAJE-OAHLLOKOSA-N 1 3 337.851 2.061 10 0 EEAEHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC=C(Cl)Cl)C2)C1 ZINC001485696794 1191903456 /nfs/dbraw/zinc/90/34/56/1191903456.db2.gz XATROAWZMHIVHC-AVGNSLFASA-N 1 3 334.291 2.132 10 0 EEAEHO COCCCN1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001266336258 1176322352 /nfs/dbraw/zinc/32/23/52/1176322352.db2.gz MFSFWJIGHWGSBM-AEFFLSMTSA-N 1 3 337.508 2.011 10 0 EEAEHO COCCCN1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001266336258 1176322359 /nfs/dbraw/zinc/32/23/59/1176322359.db2.gz MFSFWJIGHWGSBM-AEFFLSMTSA-N 1 3 337.508 2.011 10 0 EEAEHO Cc1nc(C)c(C[NH2+]CCN(C)C(=O)CN2CCC(C)CC2)s1 ZINC001266911759 1177784736 /nfs/dbraw/zinc/78/47/36/1177784736.db2.gz SVCLDHSSBUZFBL-UHFFFAOYSA-N 1 3 338.521 2.040 10 0 EEAEHO Cc1nocc1CN1CCC[C@H]1CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001267176023 1178414927 /nfs/dbraw/zinc/41/49/27/1178414927.db2.gz XJHWKVIBSAUAPY-QGZVFWFLSA-N 1 3 348.491 2.186 10 0 EEAEHO CC[N@H+](C)CCC(=O)N(C)CCN[C@@H]1CCc2c1cc(F)cc2F ZINC001481297435 1180946053 /nfs/dbraw/zinc/94/60/53/1180946053.db2.gz OWGDGYFSRFSEOF-QGZVFWFLSA-N 1 3 339.430 2.342 10 0 EEAEHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@@H]1CCc2c1cc(F)cc2F ZINC001481297435 1180946056 /nfs/dbraw/zinc/94/60/56/1180946056.db2.gz OWGDGYFSRFSEOF-QGZVFWFLSA-N 1 3 339.430 2.342 10 0 EEAEHO CN(CCNCc1ccc(Cl)nc1)C(=O)CC[NH+]1CCCCC1 ZINC001481319919 1181024649 /nfs/dbraw/zinc/02/46/49/1181024649.db2.gz QJDYRGFFXMUUGX-UHFFFAOYSA-N 1 3 338.883 2.159 10 0 EEAEHO Cc1cccnc1C[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)C(C)C ZINC001481347379 1181082396 /nfs/dbraw/zinc/08/23/96/1181082396.db2.gz JMPQTDAVHHQYGJ-SFHVURJKSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1cccnc1C[N@H+](CCCNC(=O)[C@@H]1CCCN1C)C(C)C ZINC001481347379 1181082402 /nfs/dbraw/zinc/08/24/02/1181082402.db2.gz JMPQTDAVHHQYGJ-SFHVURJKSA-N 1 3 332.492 2.201 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001268290938 1182180507 /nfs/dbraw/zinc/18/05/07/1182180507.db2.gz LAXDYTHFGAOYAE-RYUDHWBXSA-N 1 3 332.370 2.088 10 0 EEAEHO Cc1csc(CNCC[C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)n1 ZINC001268374203 1182377671 /nfs/dbraw/zinc/37/76/71/1182377671.db2.gz OQCKGOBRTZMHFZ-DZGCQCFKSA-N 1 3 338.521 2.310 10 0 EEAEHO Cc1csc(CNCC[C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)n1 ZINC001268374203 1182377680 /nfs/dbraw/zinc/37/76/80/1182377680.db2.gz OQCKGOBRTZMHFZ-DZGCQCFKSA-N 1 3 338.521 2.310 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ncccc1C ZINC001268425458 1182592551 /nfs/dbraw/zinc/59/25/51/1182592551.db2.gz GBBMYNLMLPNAHF-SJLPKXTDSA-N 1 3 332.492 2.249 10 0 EEAEHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1cccc2nsnc21)N(C)C ZINC001481825166 1182753614 /nfs/dbraw/zinc/75/36/14/1182753614.db2.gz INFIZIDJLXNQDV-DZGCQCFKSA-N 1 3 349.504 2.016 10 0 EEAEHO CCN(CCNCc1cncc(C)c1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001268467933 1182815550 /nfs/dbraw/zinc/81/55/50/1182815550.db2.gz BBWDBHJDRSGYJR-UHFFFAOYSA-N 1 3 332.492 2.203 10 0 EEAEHO CCN(CC[NH2+]CCC1CC1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268479756 1182917500 /nfs/dbraw/zinc/91/75/00/1182917500.db2.gz SCLNTWPWPDJTNS-SFHVURJKSA-N 1 3 327.488 2.437 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C/C[NH2+]CC1CCC(F)(F)CC1 ZINC001268626186 1183544939 /nfs/dbraw/zinc/54/49/39/1183544939.db2.gz YVNBDUDYYPHFTC-OWOJBTEDSA-N 1 3 329.435 2.170 10 0 EEAEHO CN(CCC[NH2+]Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCCCN1C ZINC001268801286 1183716633 /nfs/dbraw/zinc/71/66/33/1183716633.db2.gz DYERRJVZBPQVNV-KRWDZBQOSA-N 1 3 339.430 2.387 10 0 EEAEHO Cc1nc(C)c(CNCCCN(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)o1 ZINC001268877054 1183785165 /nfs/dbraw/zinc/78/51/65/1183785165.db2.gz UDTPWHXKGAJIMN-IAGOWNOFSA-N 1 3 348.491 2.246 10 0 EEAEHO Cc1nc(C)c(CNCCCN(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)o1 ZINC001268877054 1183785169 /nfs/dbraw/zinc/78/51/69/1183785169.db2.gz UDTPWHXKGAJIMN-IAGOWNOFSA-N 1 3 348.491 2.246 10 0 EEAEHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1cccc(Cl)n1 ZINC001269493564 1184315350 /nfs/dbraw/zinc/31/53/50/1184315350.db2.gz YAXJCCHZOOGBGJ-ZIAGYGMSSA-N 1 3 338.883 2.061 10 0 EEAEHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1cccc(Cl)n1 ZINC001269493564 1184315353 /nfs/dbraw/zinc/31/53/53/1184315353.db2.gz YAXJCCHZOOGBGJ-ZIAGYGMSSA-N 1 3 338.883 2.061 10 0 EEAEHO Cc1cc(CNC2(CNC(=O)CCC[NH+](C)C)CCCC2)sn1 ZINC001482227826 1184346598 /nfs/dbraw/zinc/34/65/98/1184346598.db2.gz DQLMLVXZXOVEFX-UHFFFAOYSA-N 1 3 338.521 2.312 10 0 EEAEHO CO[C@H](C)CN(C)CCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001482608787 1187368883 /nfs/dbraw/zinc/36/88/83/1187368883.db2.gz WBHIZJMPUKAOCY-OAHLLOKOSA-N 1 3 327.513 2.065 10 0 EEAEHO CO[C@H](C)CN(C)CCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001482608787 1187368885 /nfs/dbraw/zinc/36/88/85/1187368885.db2.gz WBHIZJMPUKAOCY-OAHLLOKOSA-N 1 3 327.513 2.065 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C)nc1C ZINC001482692769 1187659600 /nfs/dbraw/zinc/65/96/00/1187659600.db2.gz JYQJZOGFYSBNMS-OALUTQOASA-N 1 3 346.519 2.415 10 0 EEAEHO C[C@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001482870236 1187790161 /nfs/dbraw/zinc/79/01/61/1187790161.db2.gz AQDVACBLTRYQLT-ZIAGYGMSSA-N 1 3 339.430 2.291 10 0 EEAEHO C[C@H](CCNCc1cc(C2CC2)no1)NC(=O)CC1CC[NH+](C)CC1 ZINC001482875861 1187795592 /nfs/dbraw/zinc/79/55/92/1187795592.db2.gz BYFDECWORNRYIF-CQSZACIVSA-N 1 3 348.491 2.268 10 0 EEAEHO CCCN(C)CC(=O)N1CC2(C1)CC[NH+](CCCCCF)CC2 ZINC001272825789 1193564693 /nfs/dbraw/zinc/56/46/93/1193564693.db2.gz IXJHXJLLLQOCTF-UHFFFAOYSA-N 1 3 327.488 2.392 10 0 EEAEHO Cc1nc(C(C)C)ccc1C[NH2+]C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001483266240 1190291628 /nfs/dbraw/zinc/29/16/28/1190291628.db2.gz ICHGVRGSQOTDKH-HOTGVXAUSA-N 1 3 346.519 2.450 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(OC)c1 ZINC001483296718 1190319736 /nfs/dbraw/zinc/31/97/36/1190319736.db2.gz PSMPFANNDIUTGN-YJBOKZPZSA-N 1 3 333.476 2.164 10 0 EEAEHO C[C@@H]1[C@@H]([NH2+]C/C=C/c2ccccc2)CCN1C(=O)CN1CCCC1 ZINC001486094458 1193679336 /nfs/dbraw/zinc/67/93/36/1193679336.db2.gz BDCHHTOBMPAHAG-JWUWVAEESA-N 1 3 327.472 2.375 10 0 EEAEHO CCc1nocc1CNCC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001409789336 1190621827 /nfs/dbraw/zinc/62/18/27/1190621827.db2.gz SLVBCPKAOJQWQV-UHFFFAOYSA-N 1 3 336.480 2.097 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC=C(Cl)Cl)C1)N(C)C ZINC001272477360 1190842420 /nfs/dbraw/zinc/84/24/20/1190842420.db2.gz WPRPKRSEPZWQEE-CHWSQXEVSA-N 1 3 336.307 2.474 10 0 EEAEHO O=C(CN1CCCC1)N1CC[C@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001272642804 1190949843 /nfs/dbraw/zinc/94/98/43/1190949843.db2.gz XXLQIBOHWLZOQT-INIZCTEOSA-N 1 3 333.451 2.250 10 0 EEAEHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001409905007 1190992814 /nfs/dbraw/zinc/99/28/14/1190992814.db2.gz CGWAMDQVPLBMAL-UONOGXRCSA-N 1 3 331.451 2.200 10 0 EEAEHO C[C@@H]1C[C@@H](NC/C(Cl)=C\Cl)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001483917119 1191115826 /nfs/dbraw/zinc/11/58/26/1191115826.db2.gz UCXYDRCVGYUMFU-IPUYDCKKSA-N 1 3 346.302 2.370 10 0 EEAEHO Cc1ncccc1CN1CCC(C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001483973659 1191137560 /nfs/dbraw/zinc/13/75/60/1191137560.db2.gz CGADLAZFOHFVOX-QGZVFWFLSA-N 1 3 344.503 2.203 10 0 EEAEHO Cc1ncccc1CN1CCC(C)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001483973659 1191137563 /nfs/dbraw/zinc/13/75/63/1191137563.db2.gz CGADLAZFOHFVOX-QGZVFWFLSA-N 1 3 344.503 2.203 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CCOc2ccccc2)C1)N(C)C ZINC001484100811 1191210848 /nfs/dbraw/zinc/21/08/48/1191210848.db2.gz IYCYGHZQNMYAJX-QUCCMNQESA-N 1 3 347.503 2.234 10 0 EEAEHO COCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001484395319 1191329654 /nfs/dbraw/zinc/32/96/54/1191329654.db2.gz VTUSLGQFUXQTFS-KZNAEPCWSA-N 1 3 339.524 2.018 10 0 EEAEHO CN(CC(=O)N1CCO[C@@H](C[NH2+]CCCC(C)(C)C)C1)C1CCC1 ZINC001484680944 1191465075 /nfs/dbraw/zinc/46/50/75/1191465075.db2.gz RKJXUPWKPIFFOB-KRWDZBQOSA-N 1 3 339.524 2.114 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001484827463 1191536604 /nfs/dbraw/zinc/53/66/04/1191536604.db2.gz NXKVEDIQQIDGGK-MJGOQNOKSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001484827463 1191536606 /nfs/dbraw/zinc/53/66/06/1191536606.db2.gz NXKVEDIQQIDGGK-MJGOQNOKSA-N 1 3 339.524 2.068 10 0 EEAEHO CC[C@H](C(=O)NC1(C[NH2+]CC2CC(C)(C)C2)CCOCC1)N(C)C ZINC001484864681 1191555091 /nfs/dbraw/zinc/55/50/91/1191555091.db2.gz KTZPRCZCAPGNGN-MRXNPFEDSA-N 1 3 339.524 2.018 10 0 EEAEHO COCC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001486440628 1193968985 /nfs/dbraw/zinc/96/89/85/1193968985.db2.gz VWAYSAWYUNDFRL-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN(CCOC2CCCCCC2)C1 ZINC001409955654 1194279917 /nfs/dbraw/zinc/27/99/17/1194279917.db2.gz YWUYPYFRJYDLQZ-MRXNPFEDSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1)N(C)C ZINC001410209637 1197608919 /nfs/dbraw/zinc/60/89/19/1197608919.db2.gz IUBAWWGJQFFKSI-CKEIUWERSA-N 1 3 339.430 2.289 10 0 EEAEHO COC(=O)c1ccc(OC)c2c1CCN(CC[C@@H]1CCC[NH2+]C1)C2 ZINC000872154853 1198063063 /nfs/dbraw/zinc/06/30/63/1198063063.db2.gz ZWRRZNGFXYGUGA-AWEZNQCLSA-N 1 3 332.444 2.230 10 0 EEAEHO CC(C)(O)C[C@@H](O)CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000872208065 1198087266 /nfs/dbraw/zinc/08/72/66/1198087266.db2.gz BPQPTZRLBPMESC-RBUKOAKNSA-N 1 3 334.504 2.400 10 0 EEAEHO CC(C)(O)C[C@@H](O)CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000872208065 1198087276 /nfs/dbraw/zinc/08/72/76/1198087276.db2.gz BPQPTZRLBPMESC-RBUKOAKNSA-N 1 3 334.504 2.400 10 0 EEAEHO CC(C)(O)C[C@@H](O)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000872208065 1198087281 /nfs/dbraw/zinc/08/72/81/1198087281.db2.gz BPQPTZRLBPMESC-RBUKOAKNSA-N 1 3 334.504 2.400 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCc2ccccc2F)C[C@@H]1C ZINC001410837364 1198480963 /nfs/dbraw/zinc/48/09/63/1198480963.db2.gz BFAGRJIYNFHDEY-DOTOQJQBSA-N 1 3 335.467 2.287 10 0 EEAEHO Cc1nc(C)c(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C2)o1 ZINC001410962433 1198634683 /nfs/dbraw/zinc/63/46/83/1198634683.db2.gz RZJHPOUQXHZLKS-HZPDHXFCSA-N 1 3 336.480 2.006 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NCC(C)(C)C[NH+](C)C)cc(Cl)n1 ZINC000825789956 1199242832 /nfs/dbraw/zinc/24/28/32/1199242832.db2.gz DFLQLOQPHNVMGP-CYBMUJFWSA-N 1 3 326.872 2.137 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000810351968 1199464617 /nfs/dbraw/zinc/46/46/17/1199464617.db2.gz CEWGJQHRCFEUIE-QAPCUYQASA-N 1 3 325.472 2.286 10 0 EEAEHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000879669790 1201202628 /nfs/dbraw/zinc/20/26/28/1201202628.db2.gz VAMOYTLGCNLPLE-HUUCEWRRSA-N 1 3 347.425 2.462 10 0 EEAEHO C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000866414666 1201512477 /nfs/dbraw/zinc/51/24/77/1201512477.db2.gz RHQZUWXUDXRZOG-RLLQIKCJSA-N 1 3 345.531 2.332 10 0 EEAEHO CC(C)[C@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)N(C)C ZINC000882391792 1201864615 /nfs/dbraw/zinc/86/46/15/1201864615.db2.gz GAPQSOVJDWYKKW-RTBURBONSA-N 1 3 344.503 2.496 10 0 EEAEHO CC(C)[C@H](C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)N(C)C ZINC000882391792 1201864616 /nfs/dbraw/zinc/86/46/16/1201864616.db2.gz GAPQSOVJDWYKKW-RTBURBONSA-N 1 3 344.503 2.496 10 0 EEAEHO Cc1cncc(CNC/C=C\CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001274154623 1204412915 /nfs/dbraw/zinc/41/29/15/1204412915.db2.gz TUOQAAFXGWXHFP-PHWHVTFISA-N 1 3 344.503 2.272 10 0 EEAEHO Cc1cncc(CNC/C=C\CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001274154623 1204412917 /nfs/dbraw/zinc/41/29/17/1204412917.db2.gz TUOQAAFXGWXHFP-PHWHVTFISA-N 1 3 344.503 2.272 10 0 EEAEHO CC(C)COCC[NH2+]C1(C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001274345756 1205006505 /nfs/dbraw/zinc/00/65/05/1205006505.db2.gz YMXAXIUJGOWTBT-UHFFFAOYSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001274430650 1205034091 /nfs/dbraw/zinc/03/40/91/1205034091.db2.gz QPJALBKCIQQCTC-KTBRJVSMSA-N 1 3 342.487 2.169 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001274430650 1205034096 /nfs/dbraw/zinc/03/40/96/1205034096.db2.gz QPJALBKCIQQCTC-KTBRJVSMSA-N 1 3 342.487 2.169 10 0 EEAEHO C[NH+](C)CCCCC(=O)N1CCC[C@H]([C@@H]2CCN(CCF)C2)C1 ZINC001275184525 1205276955 /nfs/dbraw/zinc/27/69/55/1205276955.db2.gz PXUPLEKQCXQGLW-DLBZAZTESA-N 1 3 327.488 2.248 10 0 EEAEHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]CCCc3ccccc3)C2)C1 ZINC001275284582 1205298654 /nfs/dbraw/zinc/29/86/54/1205298654.db2.gz MIWMOWMEXCSJDX-QHGAOEGBSA-N 1 3 343.515 2.445 10 0 EEAEHO CN(CCC[NH2+][C@@H]1CCc2ccc(F)cc21)C(=O)[C@@H]1CCCN1C ZINC001275914898 1205583757 /nfs/dbraw/zinc/58/37/57/1205583757.db2.gz GOFSPWWTEJXBCQ-MSOLQXFVSA-N 1 3 333.451 2.345 10 0 EEAEHO CNS(=O)(=O)c1ccc([C@H](C)N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925508271 1206120948 /nfs/dbraw/zinc/12/09/48/1206120948.db2.gz PTRIKEAJFWTNLC-AEGPPILISA-N 1 3 339.505 2.151 10 0 EEAEHO CN(C)C(=O)c1cccc(CCN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925517941 1206122134 /nfs/dbraw/zinc/12/21/34/1206122134.db2.gz OWWWRMWLXOYNBF-SQNIBIBYSA-N 1 3 329.488 2.297 10 0 EEAEHO CN(C)C(=O)c1cccc(CC[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)c1 ZINC000925517941 1206122136 /nfs/dbraw/zinc/12/21/36/1206122136.db2.gz OWWWRMWLXOYNBF-SQNIBIBYSA-N 1 3 329.488 2.297 10 0 EEAEHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1N(C)C ZINC000925856920 1206161751 /nfs/dbraw/zinc/16/17/51/1206161751.db2.gz OFQSXIPOCKXORR-GJZGRUSLSA-N 1 3 331.460 2.089 10 0 EEAEHO C[NH+]1CCC(OCC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000929469540 1206478207 /nfs/dbraw/zinc/47/82/07/1206478207.db2.gz OCPYKALEWWLSBO-IBGZPJMESA-N 1 3 345.487 2.051 10 0 EEAEHO c1ccc(CN2CC[C@@]3(CC[N@@H+](CCO[C@H]4CCOC4)C3)C2)cc1 ZINC000930456975 1206559565 /nfs/dbraw/zinc/55/95/65/1206559565.db2.gz KOMSSNRNOOLLDI-VQTJNVASSA-N 1 3 330.472 2.390 10 0 EEAEHO c1ccc(CN2CC[C@@]3(CC[N@H+](CCO[C@H]4CCOC4)C3)C2)cc1 ZINC000930456975 1206559566 /nfs/dbraw/zinc/55/95/66/1206559566.db2.gz KOMSSNRNOOLLDI-VQTJNVASSA-N 1 3 330.472 2.390 10 0 EEAEHO c1ccc(CN2CC[C@]3(CC[N@@H+](CCO[C@@H]4CCOC4)C3)C2)cc1 ZINC000930456974 1206559575 /nfs/dbraw/zinc/55/95/75/1206559575.db2.gz KOMSSNRNOOLLDI-UXHICEINSA-N 1 3 330.472 2.390 10 0 EEAEHO c1ccc(CN2CC[C@]3(CC[N@H+](CCO[C@@H]4CCOC4)C3)C2)cc1 ZINC000930456974 1206559576 /nfs/dbraw/zinc/55/95/76/1206559576.db2.gz KOMSSNRNOOLLDI-UXHICEINSA-N 1 3 330.472 2.390 10 0 EEAEHO CCSc1ccccc1CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903476049 1240584480 /nfs/dbraw/zinc/58/44/80/1240584480.db2.gz MCHMHCSKDDBYSX-OAGGEKHMSA-N 1 3 347.484 2.166 10 0 EEAEHO Cc1c(C[C@H](C[NH3+])CN(C)CCOc2ccc(C)cc2)cnn1C ZINC000903876782 1242280061 /nfs/dbraw/zinc/28/00/61/1242280061.db2.gz INUOIFNUWIUYKJ-QGZVFWFLSA-N 1 3 330.476 2.165 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CN(Cc2ccccn2)CC(C)C)cnn1C ZINC000903988237 1242890788 /nfs/dbraw/zinc/89/07/88/1242890788.db2.gz PNCVUUZAEKAHGN-KRWDZBQOSA-N 1 3 329.492 2.399 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001410513002 1277969372 /nfs/dbraw/zinc/96/93/72/1277969372.db2.gz ONNOXQWGWZPHOP-CYBMUJFWSA-N 1 3 327.419 2.242 10 0 EEAEHO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC000854734953 1292933341 /nfs/dbraw/zinc/93/33/41/1292933341.db2.gz GNAGFVHFFCQAPG-QZTJIDSGSA-N 1 3 325.472 2.143 10 0 EEAEHO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC000854734953 1292933342 /nfs/dbraw/zinc/93/33/42/1292933342.db2.gz GNAGFVHFFCQAPG-QZTJIDSGSA-N 1 3 325.472 2.143 10 0 EEAEHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000855899165 1293360834 /nfs/dbraw/zinc/36/08/34/1293360834.db2.gz HEEWVKOWJZNWNJ-QAPCUYQASA-N 1 3 327.488 2.436 10 0 EEAEHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931377328 1297165215 /nfs/dbraw/zinc/16/52/15/1297165215.db2.gz WCDRLUQLYRLUCN-HZPDHXFCSA-N 1 3 330.476 2.443 10 0 EEAEHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931377328 1297165221 /nfs/dbraw/zinc/16/52/21/1297165221.db2.gz WCDRLUQLYRLUCN-HZPDHXFCSA-N 1 3 330.476 2.443 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCc2cccs2)C1)N(C)C ZINC001277075208 1301164748 /nfs/dbraw/zinc/16/47/48/1301164748.db2.gz SOSXMDQKCCJQQQ-BFYDXBDKSA-N 1 3 337.533 2.361 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cnc(C)cn1 ZINC001277362938 1302659439 /nfs/dbraw/zinc/65/94/39/1302659439.db2.gz OPWSXIJEJBBHDE-CRAIPNDOSA-N 1 3 347.507 2.034 10 0 EEAEHO COCCCCC[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001277496437 1303681718 /nfs/dbraw/zinc/68/17/18/1303681718.db2.gz VQRUUTVNBZOFRN-UHFFFAOYSA-N 1 3 348.491 2.083 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCOc2ccc(C)cc2)[C@H]1C ZINC001278314435 1309337038 /nfs/dbraw/zinc/33/70/38/1309337038.db2.gz DVBCZEPIBSDYLU-IEBWSBKVSA-N 1 3 347.503 2.295 10 0 EEAEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1C[NH+](CCCCCF)C1 ZINC001276414892 1321929419 /nfs/dbraw/zinc/92/94/19/1321929419.db2.gz ZEKDLXSOXRJXQP-OAHLLOKOSA-N 1 3 327.488 2.437 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001265422173 1323147519 /nfs/dbraw/zinc/14/75/19/1323147519.db2.gz CWLZOZDYMMQTIH-UEUXVIHFSA-N 1 3 327.472 2.375 10 0 EEAEHO Cc1cccc(OCC[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001265566202 1323222621 /nfs/dbraw/zinc/22/26/21/1323222621.db2.gz CFFQXJLSSRAOMG-SCTDSRPQSA-N 1 3 347.503 2.197 10 0 EEAEHO CCN(CCF)CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001266087023 1323644606 /nfs/dbraw/zinc/64/46/06/1323644606.db2.gz UFRGOYMGZLVWOS-MSOLQXFVSA-N 1 3 335.467 2.130 10 0 EEAEHO CCN(CCF)CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001266087023 1323644610 /nfs/dbraw/zinc/64/46/10/1323644610.db2.gz UFRGOYMGZLVWOS-MSOLQXFVSA-N 1 3 335.467 2.130 10 0 EEAEHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CCCc2ccsc2)C1 ZINC001279295164 1323865822 /nfs/dbraw/zinc/86/58/22/1323865822.db2.gz QHNSQOKLFWSKJQ-UHFFFAOYSA-N 1 3 332.473 2.226 10 0 EEAEHO CCOCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001491896139 1330294167 /nfs/dbraw/zinc/29/41/67/1330294167.db2.gz KJIRBPGVWHJFAB-RBUKOAKNSA-N 1 3 347.503 2.415 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)NCCN(C)Cc2ccc(CF)cc2)CC[N@@H+]1C ZINC001492385536 1331203821 /nfs/dbraw/zinc/20/38/21/1331203821.db2.gz FLOWJKSGHHKBAU-YJBOKZPZSA-N 1 3 335.467 2.434 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)NCCN(C)Cc2ccc(CF)cc2)CC[N@H+]1C ZINC001492385536 1331203825 /nfs/dbraw/zinc/20/38/25/1331203825.db2.gz FLOWJKSGHHKBAU-YJBOKZPZSA-N 1 3 335.467 2.434 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCc2ccc(OC)cc2)C1)N(C)C ZINC001317325907 1332180227 /nfs/dbraw/zinc/18/02/27/1332180227.db2.gz JMICOPPJAPDNNI-PKOBYXMFSA-N 1 3 347.503 2.016 10 0 EEAEHO COc1cccc(C[NH2+]CCN(C)C(=O)CN(C)C2CCC2)c1C ZINC001317595562 1332316293 /nfs/dbraw/zinc/31/62/93/1332316293.db2.gz YKEQTGAKXJLHDA-UHFFFAOYSA-N 1 3 333.476 2.036 10 0 EEAEHO CCn1ccc(CNCC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001320570136 1332912657 /nfs/dbraw/zinc/91/26/57/1332912657.db2.gz NHWSFHIKCSMJGI-SJLPKXTDSA-N 1 3 349.523 2.150 10 0 EEAEHO CCn1ccc(CNCC[C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)n1 ZINC001320570136 1332912661 /nfs/dbraw/zinc/91/26/61/1332912661.db2.gz NHWSFHIKCSMJGI-SJLPKXTDSA-N 1 3 349.523 2.150 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1C1CC1 ZINC001320996430 1332993398 /nfs/dbraw/zinc/99/33/98/1332993398.db2.gz DVATWIDYGIQRDD-VZSQWMKGSA-N 1 3 327.472 2.420 10 0 EEAEHO Cc1cc(C)cc(OCC[NH2+]C/C=C\CNC(=O)[C@@H]2CCCN2C)c1 ZINC001320997755 1332994094 /nfs/dbraw/zinc/99/40/94/1332994094.db2.gz KWKSKIXEXSVVMT-HMECNJMJSA-N 1 3 345.487 2.038 10 0 EEAEHO CC[C@H](C(=O)NCC1=CC[N@H+](CC[C@@H]2CCCCO2)CC1)N(C)C ZINC001333365586 1336021913 /nfs/dbraw/zinc/02/19/13/1336021913.db2.gz KBNHNVJZMKPDBO-ZWKOTPCHSA-N 1 3 337.508 2.034 10 0 EEAEHO CC[C@H](C(=O)NCC1=CC[N@@H+](CC[C@@H]2CCCCO2)CC1)N(C)C ZINC001333365586 1336021915 /nfs/dbraw/zinc/02/19/15/1336021915.db2.gz KBNHNVJZMKPDBO-ZWKOTPCHSA-N 1 3 337.508 2.034 10 0 EEAEHO CCN(CCNCc1cnc(C)s1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001668652320 1355979984 /nfs/dbraw/zinc/97/99/84/1355979984.db2.gz LTFCXWTYCKLWND-ZIAGYGMSSA-N 1 3 338.521 2.262 10 0 EEAEHO C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CCN(CCCCC(F)(F)F)C1 ZINC001500279249 1342129668 /nfs/dbraw/zinc/12/96/68/1342129668.db2.gz CRRPZUDEPSFWOD-OAHLLOKOSA-N 1 3 347.425 2.395 10 0 EEAEHO Cc1ccc(CN(CCCNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)c(C)n1 ZINC001566602547 1342575751 /nfs/dbraw/zinc/57/57/51/1342575751.db2.gz FFDJDUTVUYJTFG-SFHVURJKSA-N 1 3 344.503 2.121 10 0 EEAEHO Cc1ccc(CN(CCCNC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)c(C)n1 ZINC001566602547 1342575753 /nfs/dbraw/zinc/57/57/53/1342575753.db2.gz FFDJDUTVUYJTFG-SFHVURJKSA-N 1 3 344.503 2.121 10 0 EEAEHO CCOCCCN1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001566630616 1342586083 /nfs/dbraw/zinc/58/60/83/1342586083.db2.gz SFUFKESATOGWRO-LJQANCHMSA-N 1 3 347.503 2.369 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCOCC)C(C)(C)C1 ZINC001677004576 1357260505 /nfs/dbraw/zinc/26/05/05/1357260505.db2.gz WKDLEALUKXFTKU-IRXDYDNUSA-N 1 3 339.524 2.114 10 0 EEAEHO CN(C)Cc1cccc(C(=O)N2CCCCC[C@H]([NH2+]CCCO)C2)c1 ZINC001656908879 1354298237 /nfs/dbraw/zinc/29/82/37/1354298237.db2.gz LVSGMPKYGPJWJY-IBGZPJMESA-N 1 3 347.503 2.105 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@H+](C)C[C@@H]1CCCOC1 ZINC001660322998 1354440474 /nfs/dbraw/zinc/44/04/74/1354440474.db2.gz YZMLOXLUYVIVTH-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@@H+](C)C[C@@H]1CCCOC1 ZINC001660322998 1354440476 /nfs/dbraw/zinc/44/04/76/1354440476.db2.gz YZMLOXLUYVIVTH-ROUUACIJSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2cc(C)no2)CC1)N(C)C ZINC001666256147 1355497038 /nfs/dbraw/zinc/49/70/38/1355497038.db2.gz CPYWCOSMVSEGRR-QGZVFWFLSA-N 1 3 336.480 2.042 10 0 EEAEHO C[C@@H](CCNCc1cc(F)ccc1Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668310040 1355921038 /nfs/dbraw/zinc/92/10/38/1355921038.db2.gz PQZPXTRERIHFJB-QWHCGFSZSA-N 1 3 341.858 2.415 10 0 EEAEHO C[C@@H](CCNCc1cc(F)ccc1Cl)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001668310040 1355921041 /nfs/dbraw/zinc/92/10/41/1355921041.db2.gz PQZPXTRERIHFJB-QWHCGFSZSA-N 1 3 341.858 2.415 10 0 EEAEHO CCN(CC[NH2+]CCOc1cc(C)cc(C)c1)C(=O)[C@H]1CCCN1C ZINC001668521168 1355956039 /nfs/dbraw/zinc/95/60/39/1355956039.db2.gz AKBRHFCEGHTJTH-LJQANCHMSA-N 1 3 347.503 2.215 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C/CNCc2cnccc2C)C1 ZINC001668995260 1356063679 /nfs/dbraw/zinc/06/36/79/1356063679.db2.gz KDNCFBGGSDICBP-SHCNBLLESA-N 1 3 344.503 2.274 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)NC/C=C/CNCc2cnccc2C)C1 ZINC001668995260 1356063683 /nfs/dbraw/zinc/06/36/83/1356063683.db2.gz KDNCFBGGSDICBP-SHCNBLLESA-N 1 3 344.503 2.274 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccnc(Cl)c1 ZINC001698860868 1405116831 /nfs/dbraw/zinc/11/68/31/1405116831.db2.gz MBSRYZSFLRHKHT-CYBMUJFWSA-N 1 3 326.872 2.012 10 0 EEAEHO CCc1nc(C)c([C@@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)s1 ZINC000925850521 779572880 /nfs/dbraw/zinc/57/28/80/779572880.db2.gz IQNWBZDABUUNOW-YPMHNXCESA-N 1 3 337.489 2.350 10 0 EEAEHO COc1ccc(OC)c([C@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC000325150559 785838356 /nfs/dbraw/zinc/83/83/56/785838356.db2.gz OGWNUVJFAKYNFT-KRWWSPQJSA-N 1 3 334.460 2.342 10 0 EEAEHO COc1ccc(OC)c([C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000325150559 785838364 /nfs/dbraw/zinc/83/83/64/785838364.db2.gz OGWNUVJFAKYNFT-KRWWSPQJSA-N 1 3 334.460 2.342 10 0 EEAEHO COc1ccc(OC)c([C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000325150559 785838377 /nfs/dbraw/zinc/83/83/77/785838377.db2.gz OGWNUVJFAKYNFT-KRWWSPQJSA-N 1 3 334.460 2.342 10 0 EEAEHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(N2CCCC2)cc1 ZINC000844225229 788917303 /nfs/dbraw/zinc/91/73/03/788917303.db2.gz LYVWYDKIFZPIPA-CALCHBBNSA-N 1 3 342.487 2.157 10 0 EEAEHO C[C@H]1CN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC[C@H]1C[NH3+] ZINC000923511141 789697639 /nfs/dbraw/zinc/69/76/39/789697639.db2.gz ZPIILDSLYSICLC-PXNSSMCTSA-N 1 3 343.515 2.384 10 0 EEAEHO C[NH+]1CCC(N2CC[C@H](NCc3c(Cl)n[nH]c3C3CC3)C2)CC1 ZINC000921734354 795643501 /nfs/dbraw/zinc/64/35/01/795643501.db2.gz VQAGVKBJVYGQOE-ZDUSSCGKSA-N 1 3 337.899 2.199 10 0 EEAEHO CN1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCC1=O ZINC000716673603 796405776 /nfs/dbraw/zinc/40/57/76/796405776.db2.gz PBQJBXNEUNAPTK-OKYOBFRVSA-N 1 3 327.472 2.250 10 0 EEAEHO COC(=O)N(C)CCN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716731655 796449099 /nfs/dbraw/zinc/44/90/99/796449099.db2.gz MCXVRSHUSQFGSD-KSZLIROESA-N 1 3 331.460 2.327 10 0 EEAEHO COC(=O)N(C)CCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716731655 796449103 /nfs/dbraw/zinc/44/91/03/796449103.db2.gz MCXVRSHUSQFGSD-KSZLIROESA-N 1 3 331.460 2.327 10 0 EEAEHO COC(=O)N(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716731655 796449106 /nfs/dbraw/zinc/44/91/06/796449106.db2.gz MCXVRSHUSQFGSD-KSZLIROESA-N 1 3 331.460 2.327 10 0 EEAEHO COc1cnccc1N1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000794339883 810780826 /nfs/dbraw/zinc/78/08/26/810780826.db2.gz SIVARECTNAAWBF-UHFFFAOYSA-N 1 3 346.475 2.005 10 0 EEAEHO CCO[C@@H](C[NH+]1CCC(N(C)C(=O)CN(C)C(C)C)CC1)C1CC1 ZINC001436700571 1088164515 /nfs/dbraw/zinc/16/45/15/1088164515.db2.gz MZYDJICHFVBHSW-SFHVURJKSA-N 1 3 339.524 2.065 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](NCc2ccccn2)C1)[NH+]1CCCCC1 ZINC001436978096 1088675116 /nfs/dbraw/zinc/67/51/16/1088675116.db2.gz NTWNVVUYCCMBES-OTWHNJEPSA-N 1 3 344.503 2.329 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CCN(Cc2conc2C)C1 ZINC001437925234 1090517956 /nfs/dbraw/zinc/51/79/56/1090517956.db2.gz PVMLHPJFSFRWNE-SJLPKXTDSA-N 1 3 348.491 2.186 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CCN(Cc2conc2C)C1 ZINC001437925234 1090517961 /nfs/dbraw/zinc/51/79/61/1090517961.db2.gz PVMLHPJFSFRWNE-SJLPKXTDSA-N 1 3 348.491 2.186 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CCCF)C1 ZINC001437945892 1090542621 /nfs/dbraw/zinc/54/26/21/1090542621.db2.gz MFXNNDIKIZFZFK-IRXDYDNUSA-N 1 3 327.488 2.437 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CCCF)C1 ZINC001437945892 1090542624 /nfs/dbraw/zinc/54/26/24/1090542624.db2.gz MFXNNDIKIZFZFK-IRXDYDNUSA-N 1 3 327.488 2.437 10 0 EEAEHO O=C(CCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2CC[C@H]1CCCCO1 ZINC001438181920 1090686968 /nfs/dbraw/zinc/68/69/68/1090686968.db2.gz XYPHPSFXXDAKSB-GBESFXJTSA-N 1 3 349.519 2.107 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC2(CC[N@H+](C/C=C\Cl)C2)CC1 ZINC001438463463 1090970718 /nfs/dbraw/zinc/97/07/18/1090970718.db2.gz BSRWGLQCUHCTPX-YWEYNIOJSA-N 1 3 327.900 2.394 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC2(CC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001438463463 1090970721 /nfs/dbraw/zinc/97/07/21/1090970721.db2.gz BSRWGLQCUHCTPX-YWEYNIOJSA-N 1 3 327.900 2.394 10 0 EEAEHO Cc1ncccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001438760781 1091327631 /nfs/dbraw/zinc/32/76/31/1091327631.db2.gz ALLQNNNALMMRQJ-QAPCUYQASA-N 1 3 332.492 2.057 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]C/C(Cl)=C/Cl)[C@H](C)C1 ZINC001438771349 1091356245 /nfs/dbraw/zinc/35/62/45/1091356245.db2.gz ORXPZLRGNIRUFB-CKMOMWRASA-N 1 3 336.307 2.472 10 0 EEAEHO Cc1nocc1C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001438777931 1091371992 /nfs/dbraw/zinc/37/19/92/1091371992.db2.gz YTMRIWFEBPFDTE-GOEBONIOSA-N 1 3 336.480 2.040 10 0 EEAEHO Cc1nc(C)c(CNC[C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)s1 ZINC001439125588 1091769670 /nfs/dbraw/zinc/76/96/70/1091769670.db2.gz YXUDMJUQPFYLOH-IUODEOHRSA-N 1 3 338.521 2.229 10 0 EEAEHO Cc1nc(C)c(CNC[C@@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)s1 ZINC001439125588 1091769678 /nfs/dbraw/zinc/76/96/78/1091769678.db2.gz YXUDMJUQPFYLOH-IUODEOHRSA-N 1 3 338.521 2.229 10 0 EEAEHO C[C@H](CN(C)Cc1ccc(CF)cc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001439322557 1091996935 /nfs/dbraw/zinc/99/69/35/1091996935.db2.gz CVZHRLIQAWMEOI-IIDMSEBBSA-N 1 3 335.467 2.433 10 0 EEAEHO C[C@H](CN(C)Cc1ccc(CF)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001439322557 1091996943 /nfs/dbraw/zinc/99/69/43/1091996943.db2.gz CVZHRLIQAWMEOI-IIDMSEBBSA-N 1 3 335.467 2.433 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC2(C1)CC[NH+](CC[C@H](C)F)CC2 ZINC001446331748 1092537200 /nfs/dbraw/zinc/53/72/00/1092537200.db2.gz QELCXCQPJDZJFJ-INIZCTEOSA-N 1 3 327.488 2.389 10 0 EEAEHO COCc1ccc(CN(C)C[C@@H]2CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001440740478 1093989318 /nfs/dbraw/zinc/98/93/18/1093989318.db2.gz SHOWVALSKJBSLE-IBGZPJMESA-N 1 3 347.503 2.208 10 0 EEAEHO Cc1ncccc1CN1C[C@]2(C)CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001441334226 1094803622 /nfs/dbraw/zinc/80/36/22/1094803622.db2.gz LSLQWFQAYYPXAZ-BGYRXZFFSA-N 1 3 344.503 2.012 10 0 EEAEHO Cc1cccnc1CN[C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001441544684 1095268398 /nfs/dbraw/zinc/26/83/98/1095268398.db2.gz BXXMPWHOXCAJHV-SCTDSRPQSA-N 1 3 344.503 2.247 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H](NCc2c(F)cccc2F)C1 ZINC001442196183 1096474261 /nfs/dbraw/zinc/47/42/61/1096474261.db2.gz QAAYAHFMCUYUDD-UONOGXRCSA-N 1 3 339.430 2.434 10 0 EEAEHO Cc1cnc(CN[C@@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)s1 ZINC001442290120 1096604306 /nfs/dbraw/zinc/60/43/06/1096604306.db2.gz SOHIMVQIHAUWKG-ZDUSSCGKSA-N 1 3 338.521 2.310 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)NCCN(Cc2ccccc2)C2CC2)CC[N@@H+]1C ZINC001443031914 1097440148 /nfs/dbraw/zinc/44/01/48/1097440148.db2.gz JHMIRCWJRJDTAY-WMZOPIPTSA-N 1 3 329.488 2.498 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)NCCN(Cc2ccccc2)C2CC2)CC[N@H+]1C ZINC001443031914 1097440151 /nfs/dbraw/zinc/44/01/51/1097440151.db2.gz JHMIRCWJRJDTAY-WMZOPIPTSA-N 1 3 329.488 2.498 10 0 EEAEHO Cc1ncoc1C[NH2+][C@@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001443137285 1097565213 /nfs/dbraw/zinc/56/52/13/1097565213.db2.gz XYBGYUCJROFUDT-AWEZNQCLSA-N 1 3 336.480 2.040 10 0 EEAEHO Cc1nn(C(C)C)cc1C[NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001444322082 1098883615 /nfs/dbraw/zinc/88/36/15/1098883615.db2.gz KWCKVLPNSPACDA-OAHLLOKOSA-N 1 3 349.523 2.099 10 0 EEAEHO CCn1ccc(CNC[C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001444382731 1098967591 /nfs/dbraw/zinc/96/75/91/1098967591.db2.gz ULVBAFGKAJKNPV-WMZOPIPTSA-N 1 3 349.523 2.008 10 0 EEAEHO CCn1ccc(CNC[C@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)n1 ZINC001444382731 1098967604 /nfs/dbraw/zinc/96/76/04/1098967604.db2.gz ULVBAFGKAJKNPV-WMZOPIPTSA-N 1 3 349.523 2.008 10 0 EEAEHO C[C@@H](CNC(=O)CC[NH+](C)C)CN[C@@H](C)c1nc2ccccc2o1 ZINC001444394978 1098989583 /nfs/dbraw/zinc/98/95/83/1098989583.db2.gz ZVFDZCPMEODLOZ-KGLIPLIRSA-N 1 3 332.448 2.182 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NCC2(NCc3ccc(F)cn3)CCCC2)C1 ZINC001444534675 1099305532 /nfs/dbraw/zinc/30/55/32/1099305532.db2.gz MPXLOWWJBHVQMY-OAHLLOKOSA-N 1 3 348.466 2.081 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NCC2(NCc3ccc(F)cn3)CCCC2)C1 ZINC001444534675 1099305537 /nfs/dbraw/zinc/30/55/37/1099305537.db2.gz MPXLOWWJBHVQMY-OAHLLOKOSA-N 1 3 348.466 2.081 10 0 EEAEHO CCCN(C)CC(=O)NCC1([NH2+]Cc2cncc(F)c2)CCCC1 ZINC001444537421 1099311653 /nfs/dbraw/zinc/31/16/53/1099311653.db2.gz SPSHTRADMXRNOY-UHFFFAOYSA-N 1 3 336.455 2.081 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cccnc1)C1CC1 ZINC001480051022 1099560269 /nfs/dbraw/zinc/56/02/69/1099560269.db2.gz MZBGEXJNYSHDKJ-OALUTQOASA-N 1 3 344.503 2.329 10 0 EEAEHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1nc2ccccc2o1 ZINC001444784044 1099691556 /nfs/dbraw/zinc/69/15/56/1099691556.db2.gz LDKDSRBURILOJP-HUUCEWRRSA-N 1 3 344.459 2.106 10 0 EEAEHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(CCN(C)CCF)CC1 ZINC001444834989 1099789388 /nfs/dbraw/zinc/78/93/88/1099789388.db2.gz IZNFLBOBVDJLNY-IYBDPMFKSA-N 1 3 327.488 2.389 10 0 EEAEHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(CCN(C)CCF)CC1 ZINC001444834989 1099789395 /nfs/dbraw/zinc/78/93/95/1099789395.db2.gz IZNFLBOBVDJLNY-IYBDPMFKSA-N 1 3 327.488 2.389 10 0 EEAEHO C[C@H](c1ccccc1)N(C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001444986078 1100114159 /nfs/dbraw/zinc/11/41/59/1100114159.db2.gz FVMHRXGZJHDDTF-VQIMIIECSA-N 1 3 329.488 2.480 10 0 EEAEHO C[C@H](CNCc1sccc1Cl)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445366536 1100602622 /nfs/dbraw/zinc/60/26/22/1100602622.db2.gz MQXFLFYAUQDMQE-YPMHNXCESA-N 1 3 341.908 2.338 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]Cc1ccccn1)C1CC1 ZINC001495251873 1100948024 /nfs/dbraw/zinc/94/80/24/1100948024.db2.gz XKHBECGPTQDIRH-AZUAARDMSA-N 1 3 344.503 2.329 10 0 EEAEHO Cc1ncccc1C[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C(C)C ZINC001496586845 1101188441 /nfs/dbraw/zinc/18/84/41/1101188441.db2.gz UBQPIJNEYJVPGX-SFHVURJKSA-N 1 3 346.519 2.495 10 0 EEAEHO CCN(CC)C[C@H](F)C(=O)N1CCC2(C[NH+](CC[C@H](C)F)C2)CC1 ZINC001495974217 1101872141 /nfs/dbraw/zinc/87/21/41/1101872141.db2.gz PCUILVZCNLGXMG-HOTGVXAUSA-N 1 3 345.478 2.339 10 0 EEAEHO C[C@@H](CNCc1cc(F)cc(F)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496060345 1101994283 /nfs/dbraw/zinc/99/42/83/1101994283.db2.gz FNFCZXJPTMNCLQ-OGHNNQOOSA-N 1 3 339.430 2.242 10 0 EEAEHO C[C@@H](CNCc1cc(F)cc(F)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001496060345 1101994292 /nfs/dbraw/zinc/99/42/92/1101994292.db2.gz FNFCZXJPTMNCLQ-OGHNNQOOSA-N 1 3 339.430 2.242 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001447559652 1102860580 /nfs/dbraw/zinc/86/05/80/1102860580.db2.gz BZPOVCHJMCYQDC-BEFAXECRSA-N 1 3 342.487 2.445 10 0 EEAEHO COc1cccc(C[NH2+]C/C=C/CNC(=O)CN2CC[C@@H](C)C2)c1C ZINC001497677812 1102886738 /nfs/dbraw/zinc/88/67/38/1102886738.db2.gz AVXZDSGCZKNZSU-DWTRPJMMSA-N 1 3 345.487 2.107 10 0 EEAEHO Cc1cc(CN2CC[C@H](CCNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)on1 ZINC001494044463 1103418325 /nfs/dbraw/zinc/41/83/25/1103418325.db2.gz WFXMOXGFAHFCOU-ULQDDVLXSA-N 1 3 348.491 2.042 10 0 EEAEHO Cc1cc(CN2CC[C@H](CCNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)on1 ZINC001494044463 1103418330 /nfs/dbraw/zinc/41/83/30/1103418330.db2.gz WFXMOXGFAHFCOU-ULQDDVLXSA-N 1 3 348.491 2.042 10 0 EEAEHO C[C@H](CNCc1sccc1Cl)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497963593 1103424608 /nfs/dbraw/zinc/42/46/08/1103424608.db2.gz ZRNZTXJAKLVCFU-NEPJUHHUSA-N 1 3 329.897 2.338 10 0 EEAEHO C[C@H](CNCc1sccc1Cl)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001497963593 1103424616 /nfs/dbraw/zinc/42/46/16/1103424616.db2.gz ZRNZTXJAKLVCFU-NEPJUHHUSA-N 1 3 329.897 2.338 10 0 EEAEHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)Cc1ccc2ncccc2c1 ZINC001448143126 1104099891 /nfs/dbraw/zinc/09/98/91/1104099891.db2.gz CQQLQUXWPVJTNA-CRAIPNDOSA-N 1 3 340.471 2.123 10 0 EEAEHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)Cc1ccc2ncccc2c1 ZINC001448143126 1104099903 /nfs/dbraw/zinc/09/99/03/1104099903.db2.gz CQQLQUXWPVJTNA-CRAIPNDOSA-N 1 3 340.471 2.123 10 0 EEAEHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1ccccc1F ZINC001495057500 1104695437 /nfs/dbraw/zinc/69/54/37/1104695437.db2.gz HIZAZDQXJYPIMX-WBVHZDCISA-N 1 3 335.467 2.194 10 0 EEAEHO Cc1ncc(C[NH2+][C@H]2CCC[C@H](NC(=O)CN(C)C(C)C)C2)s1 ZINC001480709181 1106930143 /nfs/dbraw/zinc/93/01/43/1106930143.db2.gz JQIBIOMUWFWSGQ-GJZGRUSLSA-N 1 3 338.521 2.309 10 0 EEAEHO Cc1ncc(CNC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)s1 ZINC001498198380 1107068366 /nfs/dbraw/zinc/06/83/66/1107068366.db2.gz KASXPYVSACDJEA-XJKSGUPXSA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1oncc1CNCCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001498620332 1107824106 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CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1ccc(Cl)nc1 ZINC001568991769 1125026379 /nfs/dbraw/zinc/02/63/79/1125026379.db2.gz KIJPITAKMUPGHA-HIFRSBDPSA-N 1 3 338.883 2.202 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1ccc(Cl)nc1 ZINC001568991769 1125026388 /nfs/dbraw/zinc/02/63/88/1125026388.db2.gz KIJPITAKMUPGHA-HIFRSBDPSA-N 1 3 338.883 2.202 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C2CC2)C1 ZINC001569320180 1125227717 /nfs/dbraw/zinc/22/77/17/1125227717.db2.gz NEBKOOYVIJVYEE-NRBJAHEWSA-N 1 3 345.890 2.436 10 0 EEAEHO Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000366415218 282694897 /nfs/dbraw/zinc/69/48/97/282694897.db2.gz AHCFDYNGQFNJAM-GOSISDBHSA-N 1 3 345.535 2.337 10 0 EEAEHO CCOC(=O)C1([C@@H](C)NCc2cc(F)ccc2OC)CC[NH2+]CC1 ZINC000423065592 240348978 /nfs/dbraw/zinc/34/89/78/240348978.db2.gz UYCMREYCYYPIHW-CYBMUJFWSA-N 1 3 338.423 2.245 10 0 EEAEHO CCN(CC)[C@H](C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1)Cc1ccccc1 ZINC000422825757 240247383 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EEAEHO CN1CCC[C@H]2C[N@H+](Cc3ccccc3N3CCOCC3)CC[C@H]21 ZINC000246485796 160281809 /nfs/dbraw/zinc/28/18/09/160281809.db2.gz PAAVEHSBIPQFRJ-PKOBYXMFSA-N 1 3 329.488 2.439 10 0 EEAEHO CN1CCC[C@H]2C[N@@H+](Cc3ccccc3N3CCOCC3)CC[C@H]21 ZINC000246485796 160281810 /nfs/dbraw/zinc/28/18/10/160281810.db2.gz PAAVEHSBIPQFRJ-PKOBYXMFSA-N 1 3 329.488 2.439 10 0 EEAEHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CN(C)C[C@H]3C)CC2)cc1 ZINC000343893913 161178262 /nfs/dbraw/zinc/17/82/62/161178262.db2.gz JOTYQHHQAGKPSJ-OXQOHEQNSA-N 1 3 331.504 2.447 10 0 EEAEHO CCCN1CCC[C@H]1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000355003537 163047570 /nfs/dbraw/zinc/04/75/70/163047570.db2.gz SWTIIUOEJRKGJU-IBGZPJMESA-N 1 3 347.503 2.160 10 0 EEAEHO CCN1CC[C@H](C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000360434459 164309349 /nfs/dbraw/zinc/30/93/49/164309349.db2.gz XVQNFXQASPTXPF-ZIAGYGMSSA-N 1 3 325.478 2.051 10 0 EEAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000375594645 167162990 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C[C@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000581833325 324326638 /nfs/dbraw/zinc/32/66/38/324326638.db2.gz JIODEHNWJMSJIH-PKOBYXMFSA-N 1 3 329.488 2.451 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000581833325 324326645 /nfs/dbraw/zinc/32/66/45/324326645.db2.gz JIODEHNWJMSJIH-PKOBYXMFSA-N 1 3 329.488 2.451 10 0 EEAEHO COc1cnccc1N1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000358314202 465053748 /nfs/dbraw/zinc/05/37/48/465053748.db2.gz UZSODCVQFRQGMR-XHSDSOJGSA-N 1 3 346.475 2.000 10 0 EEAEHO COc1cnccc1N1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000358314202 465053756 /nfs/dbraw/zinc/05/37/56/465053756.db2.gz UZSODCVQFRQGMR-XHSDSOJGSA-N 1 3 346.475 2.000 10 0 EEAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1OCCN(C)C ZINC000119399438 462898293 /nfs/dbraw/zinc/89/82/93/462898293.db2.gz JLAMYHQCUWKCDD-QGZVFWFLSA-N 1 3 347.503 2.477 10 0 EEAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1OCCN(C)C ZINC000119399438 462898298 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/nfs/dbraw/zinc/46/09/75/471460975.db2.gz KZLSFQHQIFQLMO-ZBFHGGJFSA-N 1 3 346.466 2.089 10 0 EEAEHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659029272 471473749 /nfs/dbraw/zinc/47/37/49/471473749.db2.gz BBRVIYYHWZQDMO-CRAIPNDOSA-N 1 3 346.475 2.343 10 0 EEAEHO C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659029272 471473754 /nfs/dbraw/zinc/47/37/54/471473754.db2.gz BBRVIYYHWZQDMO-CRAIPNDOSA-N 1 3 346.475 2.343 10 0 EEAEHO C[NH+]1CCC(C)(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659038583 471481039 /nfs/dbraw/zinc/48/10/39/471481039.db2.gz SWYVCSQBMKNGHG-KRWDZBQOSA-N 1 3 346.475 2.201 10 0 EEAEHO NCc1cn([C@H]2CCC[N@H+](CCCc3c(F)cccc3F)C2)nn1 ZINC000655939300 471551217 /nfs/dbraw/zinc/55/12/17/471551217.db2.gz FWBOXHJZTOIRLD-AWEZNQCLSA-N 1 3 335.402 2.285 10 0 EEAEHO NCc1cn([C@H]2CCC[N@@H+](CCCc3c(F)cccc3F)C2)nn1 ZINC000655939300 471551225 /nfs/dbraw/zinc/55/12/25/471551225.db2.gz FWBOXHJZTOIRLD-AWEZNQCLSA-N 1 3 335.402 2.285 10 0 EEAEHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NC/C=C/C[NH3+] ZINC000669581444 471566438 /nfs/dbraw/zinc/56/64/38/471566438.db2.gz GTNVIIJQAMOQIK-DKRLNXSXSA-N 1 3 330.476 2.101 10 0 EEAEHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccsc1 ZINC000659435228 471626336 /nfs/dbraw/zinc/62/63/36/471626336.db2.gz WJCNAFJUUXYYSF-RBSFLKMASA-N 1 3 342.484 2.212 10 0 EEAEHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCc2ccccc2[C@H]1CN ZINC000659606838 471698529 /nfs/dbraw/zinc/69/85/29/471698529.db2.gz VWTGPJUNNUQHAB-QFBILLFUSA-N 1 3 344.503 2.375 10 0 EEAEHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000664314975 471715428 /nfs/dbraw/zinc/71/54/28/471715428.db2.gz PNFXKXGSXUMARF-INIZCTEOSA-N 1 3 349.523 2.142 10 0 EEAEHO CC[NH2+]Cc1ccccc1NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000667779915 471901781 /nfs/dbraw/zinc/90/17/81/471901781.db2.gz QIOBXRKKLTUMNZ-UHFFFAOYSA-N 1 3 330.436 2.198 10 0 EEAEHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000667785739 471903436 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C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000665640109 472120754 /nfs/dbraw/zinc/12/07/54/472120754.db2.gz NMFSAKXIUPRZPC-PKOBYXMFSA-N 1 3 346.519 2.458 10 0 EEAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000665640109 472120756 /nfs/dbraw/zinc/12/07/56/472120756.db2.gz NMFSAKXIUPRZPC-PKOBYXMFSA-N 1 3 346.519 2.458 10 0 EEAEHO CC(C)[C@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665758841 472173186 /nfs/dbraw/zinc/17/31/86/472173186.db2.gz QWCYWZUOXDDQCE-DLBZAZTESA-N 1 3 326.529 2.479 10 0 EEAEHO CC(C)[C@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665758841 472173192 /nfs/dbraw/zinc/17/31/92/472173192.db2.gz QWCYWZUOXDDQCE-DLBZAZTESA-N 1 3 326.529 2.479 10 0 EEAEHO CC1CCN([C@@H](CNC(=O)NC/C=C\C[NH3+])c2cccs2)CC1 ZINC000668644706 472207691 /nfs/dbraw/zinc/20/76/91/472207691.db2.gz LZTMSSSJXZQKNX-GWQWAINWSA-N 1 3 336.505 2.335 10 0 EEAEHO NC(=O)CC1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCCC1 ZINC000668757577 472253732 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CS[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C[C@H]1N(C)C ZINC000897237043 686303252 /nfs/dbraw/zinc/30/32/52/686303252.db2.gz BTDUXLOMANUVBT-BRSBDYLESA-N 1 3 347.528 2.183 10 0 EEAEHO CS[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C[C@H]1N(C)C ZINC000897237043 686303259 /nfs/dbraw/zinc/30/32/59/686303259.db2.gz BTDUXLOMANUVBT-BRSBDYLESA-N 1 3 347.528 2.183 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cc(C)ncn1 ZINC001485750838 1191931578 /nfs/dbraw/zinc/93/15/78/1191931578.db2.gz CBMJIXHFAMIVNS-MAUKXSAKSA-N 1 3 347.507 2.034 10 0 EEAEHO Cc1nc(C(C)C)ccc1C[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001267354730 1178815714 /nfs/dbraw/zinc/81/57/14/1178815714.db2.gz WWFFAKARHIIZCI-GOSISDBHSA-N 1 3 332.492 2.156 10 0 EEAEHO CC(C)Oc1ccccc1CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267374470 1178893239 /nfs/dbraw/zinc/89/32/39/1178893239.db2.gz BUUAUARBLIKXGX-SJLPKXTDSA-N 1 3 347.503 2.362 10 0 EEAEHO CC(C)Oc1ccccc1CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267374470 1178893250 /nfs/dbraw/zinc/89/32/50/1178893250.db2.gz BUUAUARBLIKXGX-SJLPKXTDSA-N 1 3 347.503 2.362 10 0 EEAEHO CN(CC[NH2+]C[C@@H]1CCc2ccccc2C1)C(=O)CN(C)C1CCC1 ZINC001267384242 1178942062 /nfs/dbraw/zinc/94/20/62/1178942062.db2.gz NZGDYVJUVJVRQD-QGZVFWFLSA-N 1 3 343.515 2.324 10 0 EEAEHO CN(C(=O)CCCC[NH+](C)C)[C@@H]1CCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001267776115 1180502288 /nfs/dbraw/zinc/50/22/88/1180502288.db2.gz FEZROFAIAUEEBY-IAGOWNOFSA-N 1 3 339.524 2.066 10 0 EEAEHO CCOCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001267922125 1180768934 /nfs/dbraw/zinc/76/89/34/1180768934.db2.gz VBZAROWCBMNVLE-GOSISDBHSA-N 1 3 339.524 2.116 10 0 EEAEHO Cc1nocc1CN(CCCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001481353627 1181102470 /nfs/dbraw/zinc/10/24/70/1181102470.db2.gz GHUJHYJBXYCRQZ-UHFFFAOYSA-N 1 3 336.480 2.042 10 0 EEAEHO CC[C@H](F)C[N@H+](C)C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001481499142 1181571122 /nfs/dbraw/zinc/57/11/22/1181571122.db2.gz UWHHJNXCVRNNEU-CVEARBPZSA-N 1 3 329.504 2.493 10 0 EEAEHO CC[C@H](F)C[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001481499142 1181571123 /nfs/dbraw/zinc/57/11/23/1181571123.db2.gz UWHHJNXCVRNNEU-CVEARBPZSA-N 1 3 329.504 2.493 10 0 EEAEHO Cc1cccc(OCC[NH2+]C[C@H](C)N(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001268084595 1181701879 /nfs/dbraw/zinc/70/18/79/1181701879.db2.gz GQABCCSPFTXHRC-ROUUACIJSA-N 1 3 347.503 2.152 10 0 EEAEHO Cc1ccc(C)c(OCC[NH2+]C[C@@H](C)N(C)C(=O)Cc2c[nH]cn2)c1 ZINC001268087469 1181706398 /nfs/dbraw/zinc/70/63/98/1181706398.db2.gz VIMXFUXJCHXXCA-MRXNPFEDSA-N 1 3 344.459 2.085 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)CCNCc2cccnc2)C1 ZINC001268473143 1182861455 /nfs/dbraw/zinc/86/14/55/1182861455.db2.gz OZMLJVADFNBGNC-GOSISDBHSA-N 1 3 332.492 2.142 10 0 EEAEHO CCC[N@H+]1CCC[C@@H](C(=O)N(CC)CCNCc2cccnc2)C1 ZINC001268473143 1182861464 /nfs/dbraw/zinc/86/14/64/1182861464.db2.gz OZMLJVADFNBGNC-GOSISDBHSA-N 1 3 332.492 2.142 10 0 EEAEHO CCN(CCNCc1ccc(Cl)nc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001268473439 1182867181 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CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCc1ncccc1C ZINC001482291576 1185120890 /nfs/dbraw/zinc/12/08/90/1185120890.db2.gz HFVDEKHLGISPCZ-WMZOPIPTSA-N 1 3 332.492 2.201 10 0 EEAEHO C[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C[NH2+]C/C=C/Cl ZINC001270517586 1185142421 /nfs/dbraw/zinc/14/24/21/1185142421.db2.gz RFEVPCJQYCEETE-MOCUHTECSA-N 1 3 333.879 2.293 10 0 EEAEHO Cc1cccnc1CNC[C@@H](NC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001482408778 1185634079 /nfs/dbraw/zinc/63/40/79/1185634079.db2.gz GYGDVHUBUUKNJM-LJQANCHMSA-N 1 3 346.519 2.496 10 0 EEAEHO Cc1ncccc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001482699990 1187677949 /nfs/dbraw/zinc/67/79/49/1187677949.db2.gz XZRLKRFAONPFPW-MSOLQXFVSA-N 1 3 332.492 2.105 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccc2c1CCOC2)N(C)C ZINC001482848069 1187766939 /nfs/dbraw/zinc/76/69/39/1187766939.db2.gz WMBZUMTWMPHPMJ-HNAYVOBHSA-N 1 3 347.503 2.084 10 0 EEAEHO CCN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)[C@@H]1CCCN1C ZINC001482914597 1187839889 /nfs/dbraw/zinc/83/98/89/1187839889.db2.gz RCSJPPCUCNEOPM-SFHVURJKSA-N 1 3 328.460 2.200 10 0 EEAEHO CCN(CC[NH2+]Cc1ccc(C)c(OC)c1)C(=O)CN1CC[C@@H](C)C1 ZINC001482950162 1187889677 /nfs/dbraw/zinc/88/96/77/1187889677.db2.gz HOLNEVPRUUYYCU-MRXNPFEDSA-N 1 3 347.503 2.284 10 0 EEAEHO Cc1ccccc1C[NH2+]C/C=C/CNC(=O)CN1CCC(C)CC1 ZINC001483078667 1188439175 /nfs/dbraw/zinc/43/91/75/1188439175.db2.gz SKKFRNOPXQMIAT-AATRIKPKSA-N 1 3 329.488 2.489 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)NC/C=C/CN[C@H]2CCCc3ccc(F)cc32)C1 ZINC001483091896 1188459498 /nfs/dbraw/zinc/45/94/98/1188459498.db2.gz BAQNPISJHKNFOJ-IOWAXEIUSA-N 1 3 345.462 2.417 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)NC/C=C/CN[C@H]2CCCc3ccc(F)cc32)C1 ZINC001483091896 1188459501 /nfs/dbraw/zinc/45/95/01/1188459501.db2.gz BAQNPISJHKNFOJ-IOWAXEIUSA-N 1 3 345.462 2.417 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCc1ccccc1 ZINC001483099266 1188475358 /nfs/dbraw/zinc/47/53/58/1188475358.db2.gz WYJIAEVJQVXDDY-FQQSSWHASA-N 1 3 329.488 2.366 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccncc1Cl)N(C)C ZINC001272863980 1193583698 /nfs/dbraw/zinc/58/36/98/1193583698.db2.gz DZXFTUXNGXNLDT-SWLSCSKDSA-N 1 3 326.872 2.060 10 0 EEAEHO Cc1nn(C(C)C)cc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001409348738 1189556487 /nfs/dbraw/zinc/55/64/87/1189556487.db2.gz FRCCTFHAIJWZGH-HUUCEWRRSA-N 1 3 349.523 2.240 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC2(CNCc3ccccn3)CCCCC2)CC[N@@H+]1C ZINC001409778915 1190595404 /nfs/dbraw/zinc/59/54/04/1190595404.db2.gz NWHJHEJNTZOOLI-SJLPKXTDSA-N 1 3 344.503 2.331 10 0 EEAEHO C[C@@H]1[C@H](C(=O)NC2(CNCc3ccccn3)CCCCC2)CC[N@H+]1C ZINC001409778915 1190595405 /nfs/dbraw/zinc/59/54/05/1190595405.db2.gz NWHJHEJNTZOOLI-SJLPKXTDSA-N 1 3 344.503 2.331 10 0 EEAEHO CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1csc(C)n1 ZINC001483619813 1190601144 /nfs/dbraw/zinc/60/11/44/1190601144.db2.gz DPGCXWXKBGVXSS-ZBFHGGJFSA-N 1 3 338.521 2.120 10 0 EEAEHO CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1cc(C2CC2)no1 ZINC001483620769 1190602810 /nfs/dbraw/zinc/60/28/10/1190602810.db2.gz MIFOMBUMCMUSMD-YOEHRIQHSA-N 1 3 348.491 2.220 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@@]1(C)CCN([C@H]2CCc3c2cccc3F)C1 ZINC001484057379 1191185746 /nfs/dbraw/zinc/18/57/46/1191185746.db2.gz JCKSCZPOCGAMJL-HKUYNNGSSA-N 1 3 333.451 2.345 10 0 EEAEHO CC[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cncc(C)c2)CC1)N(C)C ZINC001484725219 1191485585 /nfs/dbraw/zinc/48/55/85/1191485585.db2.gz ZOTIFCRKFFGARF-ZWKOTPCHSA-N 1 3 332.492 2.201 10 0 EEAEHO CC[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cncc(C)c2)CC1)N(C)C ZINC001484725219 1191485586 /nfs/dbraw/zinc/48/55/86/1191485586.db2.gz ZOTIFCRKFFGARF-ZWKOTPCHSA-N 1 3 332.492 2.201 10 0 EEAEHO CC(C)OCCC[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001484918587 1191574871 /nfs/dbraw/zinc/57/48/71/1191574871.db2.gz VEPCBCOAVUPMLY-UHFFFAOYSA-N 1 3 339.524 2.257 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001484940591 1191586686 /nfs/dbraw/zinc/58/66/86/1191586686.db2.gz GGOVMDBLODKFAF-DLBZAZTESA-N 1 3 341.540 2.216 10 0 EEAEHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001484940591 1191586688 /nfs/dbraw/zinc/58/66/88/1191586688.db2.gz GGOVMDBLODKFAF-DLBZAZTESA-N 1 3 341.540 2.216 10 0 EEAEHO CCCN(C)CC(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2F)C1 ZINC001485108971 1191656952 /nfs/dbraw/zinc/65/69/52/1191656952.db2.gz UOYSGRIQVUJVBJ-UHFFFAOYSA-N 1 3 339.430 2.291 10 0 EEAEHO C[C@H](NCc1ccns1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001485163690 1191675276 /nfs/dbraw/zinc/67/52/76/1191675276.db2.gz PYFNSWWLMACCQR-KBPBESRZSA-N 1 3 336.505 2.002 10 0 EEAEHO C[NH+](C)CCCC(=O)NC1(CNCc2cncs2)CCCCC1 ZINC001485455228 1191791638 /nfs/dbraw/zinc/79/16/38/1191791638.db2.gz SKYNAGPEDNXKON-UHFFFAOYSA-N 1 3 338.521 2.394 10 0 EEAEHO Cc1ccncc1C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001486249372 1193776347 /nfs/dbraw/zinc/77/63/47/1193776347.db2.gz GTBVGZVNANQYJL-KRWDZBQOSA-N 1 3 332.492 2.057 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C(C)(C)C)N(C)C ZINC001486401879 1193926439 /nfs/dbraw/zinc/92/64/39/1193926439.db2.gz AZFYOJHVOBODEP-NEPJUHHUSA-N 1 3 325.419 2.400 10 0 EEAEHO C[C@@H](CCNCc1c(F)cccc1Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001273176005 1197345225 /nfs/dbraw/zinc/34/52/25/1197345225.db2.gz ODPKSJWDCCWDAI-STQMWFEESA-N 1 3 341.858 2.415 10 0 EEAEHO C[C@@H](CCNCc1c(F)cccc1Cl)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273176005 1197345228 /nfs/dbraw/zinc/34/52/28/1197345228.db2.gz ODPKSJWDCCWDAI-STQMWFEESA-N 1 3 341.858 2.415 10 0 EEAEHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001410392440 1197791742 /nfs/dbraw/zinc/79/17/42/1197791742.db2.gz KQBRZSAPMVHGPW-RDTXWAMCSA-N 1 3 330.476 2.445 10 0 EEAEHO CC(C)OC[C@@H](Cc1ccc(F)cc1)[NH2+]CC1(O)CCN(C)CC1 ZINC000872037070 1198032619 /nfs/dbraw/zinc/03/26/19/1198032619.db2.gz AIYKRUHFZZKCCU-GOSISDBHSA-N 1 3 338.467 2.208 10 0 EEAEHO [NH3+][C@H](C[C@H]1CCCN(CC2CCS(=O)(=O)CC2)C1)C1CCCC1 ZINC000872158509 1198064987 /nfs/dbraw/zinc/06/49/87/1198064987.db2.gz VZGTULVEEXLQFW-SJLPKXTDSA-N 1 3 342.549 2.431 10 0 EEAEHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)CCO1 ZINC001273323451 1198165372 /nfs/dbraw/zinc/16/53/72/1198165372.db2.gz NNMPQQGHPSCSOD-QZTJIDSGSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)(C)N1CC[C@](F)(C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000810713295 1199668805 /nfs/dbraw/zinc/66/88/05/1199668805.db2.gz RDWTZTCEXSBUFB-JTTJXQCZSA-N 1 3 325.472 2.332 10 0 EEAEHO Cc1cnccc1/C=C/C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000870664913 1200801259 /nfs/dbraw/zinc/80/12/59/1200801259.db2.gz DJMGXRKBULSYCR-ONEGZZNKSA-N 1 3 337.427 2.189 10 0 EEAEHO CS[C@H]1CN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C[C@@H]1N(C)C ZINC000868180677 1201758740 /nfs/dbraw/zinc/75/87/40/1201758740.db2.gz IBNHWFCGYNJRBA-FZKCQIBNSA-N 1 3 334.489 2.011 10 0 EEAEHO Cc1cncc(CNC/C=C\CNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001274413928 1205027240 /nfs/dbraw/zinc/02/72/40/1205027240.db2.gz POMAFZUMIHAIRX-XFHJGTJQSA-N 1 3 344.503 2.417 10 0 EEAEHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H](Cc2ccccc2)CN2CCOCC2)C1 ZINC000925479020 1206117507 /nfs/dbraw/zinc/11/75/07/1206117507.db2.gz PRTLFHIPGFROGU-VAMGGRTRSA-N 1 3 345.531 2.426 10 0 EEAEHO CC1(C)C[C@@H](N[C@@H](Cc2ccccc2)CN2CCOCC2)C[C@@H]([NH3+])C1 ZINC000925479017 1206117511 /nfs/dbraw/zinc/11/75/11/1206117511.db2.gz PRTLFHIPGFROGU-AABGKKOBSA-N 1 3 345.531 2.426 10 0 EEAEHO COc1ccc(C(=O)NCCN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925584170 1206132009 /nfs/dbraw/zinc/13/20/09/1206132009.db2.gz KMWVOFNNNQQZSC-OALUTQOASA-N 1 3 345.487 2.183 10 0 EEAEHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cc1N(C)C ZINC000925857291 1206161626 /nfs/dbraw/zinc/16/16/26/1206161626.db2.gz ZIQZHRHBLIIFSO-ZFWWWQNUSA-N 1 3 349.450 2.228 10 0 EEAEHO COc1ccc([C@@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(OC)c1 ZINC000925859332 1206162210 /nfs/dbraw/zinc/16/22/10/1206162210.db2.gz XRDFOXWDQCEGTN-HIFRSBDPSA-N 1 3 348.443 2.040 10 0 EEAEHO C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000931216621 1206616696 /nfs/dbraw/zinc/61/66/96/1206616696.db2.gz ICIOOLBPNWSUSL-NNFUDEMPSA-N 1 3 333.520 2.343 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)CC2)CC1 ZINC000931217166 1206616796 /nfs/dbraw/zinc/61/67/96/1206616796.db2.gz NAKHLTBWKHYMKA-BJWYYQGGSA-N 1 3 333.520 2.488 10 0 EEAEHO CC(C)(CNC(=O)C12CC[NH+](CC1)C2)N1CCc2ccccc2C1 ZINC000900139058 1234043013 /nfs/dbraw/zinc/04/30/13/1234043013.db2.gz XFNIQRBPHVTNKB-UHFFFAOYSA-N 1 3 327.472 2.035 10 0 EEAEHO c1ccc(C2([NH+]3CCCC3)CCN(C[C@@H]3CNCCO3)CC2)cc1 ZINC000903824216 1242089803 /nfs/dbraw/zinc/08/98/03/1242089803.db2.gz NJWYBYNKHUBHGK-IBGZPJMESA-N 1 3 329.488 2.062 10 0 EEAEHO CCOc1ccc(CN(C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903873392 1242262823 /nfs/dbraw/zinc/26/28/23/1242262823.db2.gz PVRQZUZRHQRQQK-QGZVFWFLSA-N 1 3 330.476 2.377 10 0 EEAEHO COc1ccccc1C[C@H](C)N(C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903890277 1242347732 /nfs/dbraw/zinc/34/77/32/1242347732.db2.gz BADPOLSQINOTHT-DOTOQJQBSA-N 1 3 344.503 2.418 10 0 EEAEHO COc1ccccc1C[C@H](C)[N@H+](C)C[C@@H](CN)Cc1cnn(C)c1C ZINC000903890277 1242347741 /nfs/dbraw/zinc/34/77/41/1242347741.db2.gz BADPOLSQINOTHT-DOTOQJQBSA-N 1 3 344.503 2.418 10 0 EEAEHO COc1ccccc1C[C@H](C)[N@@H+](C)C[C@@H](CN)Cc1cnn(C)c1C ZINC000903890277 1242347755 /nfs/dbraw/zinc/34/77/55/1242347755.db2.gz BADPOLSQINOTHT-DOTOQJQBSA-N 1 3 344.503 2.418 10 0 EEAEHO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](CN)Cc2cnn(C)c2C)C12CCC2 ZINC000903899529 1242397369 /nfs/dbraw/zinc/39/73/69/1242397369.db2.gz SXUYYRNLIVJJHW-RYQLBKOJSA-N 1 3 334.508 2.125 10 0 EEAEHO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H](CN)Cc2cnn(C)c2C)C12CCC2 ZINC000903899529 1242397382 /nfs/dbraw/zinc/39/73/82/1242397382.db2.gz SXUYYRNLIVJJHW-RYQLBKOJSA-N 1 3 334.508 2.125 10 0 EEAEHO Cc1c(C[C@H](CN)C[NH2+]CC2(c3ccccc3C)CC2)cnn1C ZINC000903927421 1242529149 /nfs/dbraw/zinc/52/91/49/1242529149.db2.gz YASIJDDKUJBQJC-QGZVFWFLSA-N 1 3 326.488 2.476 10 0 EEAEHO COc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)c1C ZINC001490957931 1258508605 /nfs/dbraw/zinc/50/86/05/1258508605.db2.gz HXGPDUOWPQLTIJ-QAQDUYKDSA-N 1 3 333.476 2.081 10 0 EEAEHO CC[N@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C[C@@H](C)OC ZINC001490346669 1291166300 /nfs/dbraw/zinc/16/63/00/1291166300.db2.gz IQSIBLFEBYZANX-QAPCUYQASA-N 1 3 345.503 2.062 10 0 EEAEHO CC[N@@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C[C@@H](C)OC ZINC001490346669 1291166307 /nfs/dbraw/zinc/16/63/07/1291166307.db2.gz IQSIBLFEBYZANX-QAPCUYQASA-N 1 3 345.503 2.062 10 0 EEAEHO CCCCCC[C@@](O)(C[N@@H+]1CCC[C@]2(CCN(C)C2)C1)C(=O)OC ZINC000852107675 1291995321 /nfs/dbraw/zinc/99/53/21/1291995321.db2.gz OAPSIIUYCLWAFN-RTBURBONSA-N 1 3 340.508 2.279 10 0 EEAEHO CCCCCC[C@@](O)(C[N@H+]1CCC[C@]2(CCN(C)C2)C1)C(=O)OC ZINC000852107675 1291995327 /nfs/dbraw/zinc/99/53/27/1291995327.db2.gz OAPSIIUYCLWAFN-RTBURBONSA-N 1 3 340.508 2.279 10 0 EEAEHO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC12CC(C1)CN2 ZINC000853246126 1292339367 /nfs/dbraw/zinc/33/93/67/1292339367.db2.gz HBMCGJGQPCNJKQ-BQTBQCLESA-N 1 3 341.455 2.183 10 0 EEAEHO CCN(C)Cc1cc(O[C@@H]2CCN(CC[C@H]3CCC[N@@H+]3C)C2)ccn1 ZINC000856585196 1293572724 /nfs/dbraw/zinc/57/27/24/1293572724.db2.gz ANUDQDYEYNWLHW-UYAOXDASSA-N 1 3 346.519 2.471 10 0 EEAEHO CCN(C)Cc1cc(O[C@@H]2CCN(CC[C@H]3CCC[N@H+]3C)C2)ccn1 ZINC000856585196 1293572732 /nfs/dbraw/zinc/57/27/32/1293572732.db2.gz ANUDQDYEYNWLHW-UYAOXDASSA-N 1 3 346.519 2.471 10 0 EEAEHO CCO[C@@H](CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)C[NH+](C)C ZINC000926964494 1296971915 /nfs/dbraw/zinc/97/19/15/1296971915.db2.gz XJOVWDKVPPPOQF-LSDHHAIUSA-N 1 3 343.512 2.331 10 0 EEAEHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC001491124846 1299611421 /nfs/dbraw/zinc/61/14/21/1299611421.db2.gz BQPSSNXOIKVCSI-MSOLQXFVSA-N 1 3 347.478 2.496 10 0 EEAEHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC001491124846 1299611434 /nfs/dbraw/zinc/61/14/34/1299611434.db2.gz BQPSSNXOIKVCSI-MSOLQXFVSA-N 1 3 347.478 2.496 10 0 EEAEHO CCN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1cccnc1C ZINC001265143008 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338.540 2.479 10 0 EEAEHO CCC[NH+]1CCC(CNC(=O)N(C)[C@@H](C)C2CCN(C)CC2)CC1 ZINC000351800829 465368027 /nfs/dbraw/zinc/36/80/27/465368027.db2.gz AWAWULMFLPQUGA-INIZCTEOSA-N 1 3 338.540 2.480 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000340092257 465758694 /nfs/dbraw/zinc/75/86/94/465758694.db2.gz BLVCSAAQRSTVSP-NRSFXHEJSA-N 1 3 330.476 2.214 10 0 EEAEHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000340092257 465758698 /nfs/dbraw/zinc/75/86/98/465758698.db2.gz BLVCSAAQRSTVSP-NRSFXHEJSA-N 1 3 330.476 2.214 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000353466062 465905577 /nfs/dbraw/zinc/90/55/77/465905577.db2.gz YATHZOAOOVZKFJ-XDNAFOTISA-N 1 3 336.524 2.375 10 0 EEAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000353466062 465905579 /nfs/dbraw/zinc/90/55/79/465905579.db2.gz YATHZOAOOVZKFJ-XDNAFOTISA-N 1 3 336.524 2.375 10 0 EEAEHO 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687135792 /nfs/dbraw/zinc/13/57/92/687135792.db2.gz AMXMIMLTGHYNFA-OTWHNJEPSA-N 1 3 343.471 2.183 10 0 EEAEHO COc1cccc([C@H]2[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)CCN2C2CC2)c1 ZINC000897334283 687135794 /nfs/dbraw/zinc/13/57/94/687135794.db2.gz AMXMIMLTGHYNFA-OTWHNJEPSA-N 1 3 343.471 2.183 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCc3ccsc3)C2)C1 ZINC001266550105 1176816252 /nfs/dbraw/zinc/81/62/52/1176816252.db2.gz VMMNMOGSNOBDOF-RDJZCZTQSA-N 1 3 335.517 2.213 10 0 EEAEHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CC[C@H](Cc2ccccc2)C1 ZINC001772526450 1176884765 /nfs/dbraw/zinc/88/47/65/1176884765.db2.gz PFVMIBVZZWAMEU-MSOLQXFVSA-N 1 3 325.460 2.267 10 0 EEAEHO CC(C)OCCC[NH2+]C1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001266909170 1177779286 /nfs/dbraw/zinc/77/92/86/1177779286.db2.gz GRFHRJFUHVAONY-UHFFFAOYSA-N 1 3 339.524 2.303 10 0 EEAEHO CN(CCNCc1ccc(F)c(F)c1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001691423881 1178033799 /nfs/dbraw/zinc/03/37/99/1178033799.db2.gz RHKDOMZFJKNNAM-UHFFFAOYSA-N 1 3 339.430 2.387 10 0 EEAEHO C[C@H]1CC[N@H+](CC(=O)NCCN(C)Cc2ccc3cc[nH]c3c2)C1 ZINC001480914326 1178114385 /nfs/dbraw/zinc/11/43/85/1178114385.db2.gz WUJGAOQVBYZPGR-HNNXBMFYSA-N 1 3 328.460 2.058 10 0 EEAEHO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)Cc2ccc3cc[nH]c3c2)C1 ZINC001480914326 1178114388 /nfs/dbraw/zinc/11/43/88/1178114388.db2.gz WUJGAOQVBYZPGR-HNNXBMFYSA-N 1 3 328.460 2.058 10 0 EEAEHO CCC[N@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)C[C@@H]1CCOC1 ZINC001493316611 1178934685 /nfs/dbraw/zinc/93/46/85/1178934685.db2.gz ODOQUPDNFCFBGQ-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO CCC[N@@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)C[C@@H]1CCOC1 ZINC001493316611 1178934693 /nfs/dbraw/zinc/93/46/93/1178934693.db2.gz ODOQUPDNFCFBGQ-ZWKOTPCHSA-N 1 3 339.524 2.114 10 0 EEAEHO C[NH+](C)CCC(=O)N1CCC[C@H](CCNCc2cc(C3CC3)no2)C1 ZINC001267893091 1180704920 /nfs/dbraw/zinc/70/49/20/1180704920.db2.gz OCVULILQDQUIED-OAHLLOKOSA-N 1 3 348.491 2.222 10 0 EEAEHO Cc1cc(CN2CC[C@@H](CCNC(=O)CC[C@H]3CCC[N@H+]3C)C2)on1 ZINC001481435156 1181333005 /nfs/dbraw/zinc/33/30/05/1181333005.db2.gz KOLJGBGRIMUYHX-IAGOWNOFSA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1cc(CN2CC[C@@H](CCNC(=O)CC[C@H]3CCC[N@@H+]3C)C2)on1 ZINC001481435156 1181333010 /nfs/dbraw/zinc/33/30/10/1181333010.db2.gz KOLJGBGRIMUYHX-IAGOWNOFSA-N 1 3 348.491 2.186 10 0 EEAEHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001268376485 1182395548 /nfs/dbraw/zinc/39/55/48/1182395548.db2.gz XVPRAEJATORPIQ-RDTXWAMCSA-N 1 3 330.476 2.493 10 0 EEAEHO Cc1ccncc1C[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001482008563 1183121789 /nfs/dbraw/zinc/12/17/89/1183121789.db2.gz YKDHSYBNOONKGX-UHFFFAOYSA-N 1 3 344.503 2.204 10 0 EEAEHO C[C@H](NC/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccc(F)cc1 ZINC001268538705 1183199414 /nfs/dbraw/zinc/19/94/14/1183199414.db2.gz MGIZIYNIDXRSJP-LAPPRRJPSA-N 1 3 345.462 2.491 10 0 EEAEHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001268574878 1183314780 /nfs/dbraw/zinc/31/47/80/1183314780.db2.gz MSLAWPLMXLHSAB-LSTKMXGYSA-N 1 3 327.472 2.420 10 0 EEAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCc1ccccc1 ZINC001482101371 1183333858 /nfs/dbraw/zinc/33/38/58/1183333858.db2.gz MJDMRPQFZCXCOU-MJGOQNOKSA-N 1 3 331.504 2.444 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C\C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001268625740 1183549021 /nfs/dbraw/zinc/54/90/21/1183549021.db2.gz SCXVXCNHEXAIRZ-DJYNDVHFSA-N 1 3 329.435 2.170 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNCC=C(Cl)Cl)CC[N@@H+]1C ZINC001482288238 1185089547 /nfs/dbraw/zinc/08/95/47/1185089547.db2.gz IUVJDCGGSDSDPP-FRRDWIJNSA-N 1 3 336.307 2.472 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNCC=C(Cl)Cl)CC[N@H+]1C ZINC001482288238 1185089556 /nfs/dbraw/zinc/08/95/56/1185089556.db2.gz IUVJDCGGSDSDPP-FRRDWIJNSA-N 1 3 336.307 2.472 10 0 EEAEHO Cc1ccncc1C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001271565243 1186315633 /nfs/dbraw/zinc/31/56/33/1186315633.db2.gz BQVWTLIAVVJYJP-RBUKOAKNSA-N 1 3 344.503 2.345 10 0 EEAEHO Cc1ncc(C[NH2+][C@H](CNC(=O)CN(C)C(C)C)C(C)C)s1 ZINC001482569969 1186904839 /nfs/dbraw/zinc/90/48/39/1186904839.db2.gz ACQAAIMPPFGSOW-OAHLLOKOSA-N 1 3 326.510 2.022 10 0 EEAEHO CN(CC[N@H+](C)C[C@H]1CCCC(F)(F)C1)C(=O)[C@@H]1CCCN1C ZINC001482586014 1187000445 /nfs/dbraw/zinc/00/04/45/1187000445.db2.gz DKZAZXPVYMXWSA-GJZGRUSLSA-N 1 3 331.451 2.296 10 0 EEAEHO CN(CC[N@@H+](C)C[C@H]1CCCC(F)(F)C1)C(=O)[C@@H]1CCCN1C ZINC001482586014 1187000451 /nfs/dbraw/zinc/00/04/51/1187000451.db2.gz DKZAZXPVYMXWSA-GJZGRUSLSA-N 1 3 331.451 2.296 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CNCc2ccc(OC)cc2)CC[N@@H+]1C ZINC001483008857 1187991366 /nfs/dbraw/zinc/99/13/66/1187991366.db2.gz ORARHFCPAWOXOM-OBNUAKFSSA-N 1 3 345.487 2.188 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CNCc2ccc(OC)cc2)CC[N@H+]1C ZINC001483008857 1187991369 /nfs/dbraw/zinc/99/13/69/1187991369.db2.gz ORARHFCPAWOXOM-OBNUAKFSSA-N 1 3 345.487 2.188 10 0 EEAEHO CN(CCNCc1cccc(F)c1)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001691548883 1188250018 /nfs/dbraw/zinc/25/00/18/1188250018.db2.gz BCANTLCKHVZUOM-UHFFFAOYSA-N 1 3 347.478 2.496 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCOc1ccccc1C ZINC001691622959 1188323010 /nfs/dbraw/zinc/32/30/10/1188323010.db2.gz FZZZZESNEDKNGH-SFHVURJKSA-N 1 3 347.503 2.296 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@@H](O)c1ccccc1 ZINC001483171834 1189010783 /nfs/dbraw/zinc/01/07/83/1189010783.db2.gz ALMRCUXHJARCDZ-NZSAHSFTSA-N 1 3 347.503 2.077 10 0 EEAEHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001483185212 1189052447 /nfs/dbraw/zinc/05/24/47/1189052447.db2.gz BENNXVUERNGQCT-PXAZEXFGSA-N 1 3 339.430 2.388 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C)nc1C ZINC001483197377 1189082932 /nfs/dbraw/zinc/08/29/32/1189082932.db2.gz HNUPXHGDZNDUHR-QAPCUYQASA-N 1 3 332.492 2.167 10 0 EEAEHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001485881528 1193628129 /nfs/dbraw/zinc/62/81/29/1193628129.db2.gz HUNAIHFZOQLKQV-KGLIPLIRSA-N 1 3 331.451 2.343 10 0 EEAEHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)NCc2ccns2)CC1 ZINC001409428017 1189662585 /nfs/dbraw/zinc/66/25/85/1189662585.db2.gz OCLUDEWUBDYZIK-KBPBESRZSA-N 1 3 338.521 2.246 10 0 EEAEHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N(C)C[C@@H]1CC(C)(C)CO1 ZINC001409680828 1190180829 /nfs/dbraw/zinc/18/08/29/1190180829.db2.gz FEPYRUIZHKVXMM-SJORKVTESA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1ncc(C[NH2+][C@H](CCN(C)C(=O)[C@@H]2CCCN2C)C(C)C)o1 ZINC001409771568 1190266168 /nfs/dbraw/zinc/26/61/68/1190266168.db2.gz MVEPMCUNKAJHKA-SJORKVTESA-N 1 3 336.480 2.040 10 0 EEAEHO CC1CCN(CC(=O)N(C)CCC[NH2+]CC=C(Cl)Cl)CC1 ZINC001483499875 1190515277 /nfs/dbraw/zinc/51/52/77/1190515277.db2.gz ZSWSHFBFWURBFW-UHFFFAOYSA-N 1 3 336.307 2.475 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N[C@H](C[NH2+]Cc2cccc(F)c2)C2CC2)C1 ZINC001483587253 1190573792 /nfs/dbraw/zinc/57/37/92/1190573792.db2.gz BOSANRBBBIOMCU-RDTXWAMCSA-N 1 3 333.451 2.152 10 0 EEAEHO CC[C@@H](F)CN1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001483845055 1191079889 /nfs/dbraw/zinc/07/98/89/1191079889.db2.gz FTFINJYCZZOARI-WBVHZDCISA-N 1 3 325.472 2.001 10 0 EEAEHO Cc1ccccc1OCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001483924524 1191118325 /nfs/dbraw/zinc/11/83/25/1191118325.db2.gz JFVXJRSPHRRRQV-MSOLQXFVSA-N 1 3 345.487 2.049 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]CC[C@H]2CCCCO2)CC1 ZINC001484928038 1191574007 /nfs/dbraw/zinc/57/40/07/1191574007.db2.gz DITPLCWFXFHQEE-QGZVFWFLSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1ccc(F)cc1C[NH2+][C@H](C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001410430897 1197876296 /nfs/dbraw/zinc/87/62/96/1197876296.db2.gz DZCIUWZGQXBYJU-GDBMZVCRSA-N 1 3 335.467 2.412 10 0 EEAEHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccccc1N(C)C ZINC001410436458 1197889928 /nfs/dbraw/zinc/88/99/28/1197889928.db2.gz NKCZCULEKZOJBB-SJORKVTESA-N 1 3 346.519 2.031 10 0 EEAEHO COC(=O)c1cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1C ZINC000872145878 1198053012 /nfs/dbraw/zinc/05/30/12/1198053012.db2.gz XXVNLYJETGLQRT-PKOBYXMFSA-N 1 3 346.471 2.500 10 0 EEAEHO Cc1cncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001410946835 1198612605 /nfs/dbraw/zinc/61/26/05/1198612605.db2.gz BZWHNUDQIIEBRP-AEFFLSMTSA-N 1 3 332.492 2.105 10 0 EEAEHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000811459794 1200071388 /nfs/dbraw/zinc/07/13/88/1200071388.db2.gz OHPMYQUDVYGPOY-QAPCUYQASA-N 1 3 325.472 2.332 10 0 EEAEHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000811459794 1200071396 /nfs/dbraw/zinc/07/13/96/1200071396.db2.gz OHPMYQUDVYGPOY-QAPCUYQASA-N 1 3 325.472 2.332 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/CNCCC(F)(F)F)C1 ZINC001274299390 1204988719 /nfs/dbraw/zinc/98/87/19/1204988719.db2.gz WMHBVQRWPCSYPE-XGACYXMMSA-N 1 3 335.414 2.323 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)NC/C=C/CNCCC(F)(F)F)C1 ZINC001274299390 1204988721 /nfs/dbraw/zinc/98/87/21/1204988721.db2.gz WMHBVQRWPCSYPE-XGACYXMMSA-N 1 3 335.414 2.323 10 0 EEAEHO C[C@@H](NC/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1cccc(F)c1 ZINC001274368588 1205011791 /nfs/dbraw/zinc/01/17/91/1205011791.db2.gz MXALEWXFNZCMNI-JGPFYOFESA-N 1 3 333.451 2.491 10 0 EEAEHO C[C@@H](NC/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1cccc(F)c1 ZINC001274368588 1205011795 /nfs/dbraw/zinc/01/17/95/1205011795.db2.gz MXALEWXFNZCMNI-JGPFYOFESA-N 1 3 333.451 2.491 10 0 EEAEHO C[C@@H]([NH2+]C/C=C\CNC(=O)CN1CC[C@@H](C)C1)c1cccc(F)c1 ZINC001274368588 1205011798 /nfs/dbraw/zinc/01/17/98/1205011798.db2.gz MXALEWXFNZCMNI-JGPFYOFESA-N 1 3 333.451 2.491 10 0 EEAEHO CC(C)OCCC[NH2+]C1(C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001274375157 1205013578 /nfs/dbraw/zinc/01/35/78/1205013578.db2.gz JKGFIOABVVWIJJ-KRWDZBQOSA-N 1 3 339.524 2.114 10 0 EEAEHO CC1(C)[C@H]([NH2+]CCCS(=O)(=O)c2ccccc2)[C@@H]2CCCN[C@@H]21 ZINC000925495473 1205543036 /nfs/dbraw/zinc/54/30/36/1205543036.db2.gz YPGJXFKSOCUVBK-IXDOHACOSA-N 1 3 336.501 2.217 10 0 EEAEHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000925321576 1206096541 /nfs/dbraw/zinc/09/65/41/1206096541.db2.gz NDTBZPKOUZJSEZ-YJBOKZPZSA-N 1 3 332.492 2.372 10 0 EEAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000925735629 1206147849 /nfs/dbraw/zinc/14/78/49/1206147849.db2.gz HRSWWPTZLDGGOK-PBHICJAKSA-N 1 3 333.476 2.475 10 0 EEAEHO Cc1c([C@@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cnn1C(C)(C)C ZINC000925848495 1206160041 /nfs/dbraw/zinc/16/00/41/1206160041.db2.gz BMHVTXZKOIRZEL-HIFRSBDPSA-N 1 3 348.491 2.282 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NCC[NH+]2CCC(C)CC2)cc(Cl)n1 ZINC000827067629 1249738036 /nfs/dbraw/zinc/73/80/36/1249738036.db2.gz ODLNNJHRGYYIKG-OAHLLOKOSA-N 1 3 338.883 2.281 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Cl)n1 ZINC000827205393 1250737666 /nfs/dbraw/zinc/73/76/66/1250737666.db2.gz MGHKNUKPUPWIQI-QLFBSQMISA-N 1 3 336.867 2.176 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(Cl)n1 ZINC000827205393 1250737672 /nfs/dbraw/zinc/73/76/72/1250737672.db2.gz MGHKNUKPUPWIQI-QLFBSQMISA-N 1 3 336.867 2.176 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Cl)n1 ZINC000827205395 1250737781 /nfs/dbraw/zinc/73/77/81/1250737781.db2.gz MGHKNUKPUPWIQI-RRFJBIMHSA-N 1 3 336.867 2.176 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(Cl)n1 ZINC000827205395 1250737786 /nfs/dbraw/zinc/73/77/86/1250737786.db2.gz MGHKNUKPUPWIQI-RRFJBIMHSA-N 1 3 336.867 2.176 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1ccc(Cl)nc1 ZINC001491472527 1259117223 /nfs/dbraw/zinc/11/72/23/1259117223.db2.gz CERQYGOJRJIEPB-ZFWWWQNUSA-N 1 3 338.883 2.204 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1ccc(Cl)nc1 ZINC001491472527 1259117227 /nfs/dbraw/zinc/11/72/27/1259117227.db2.gz CERQYGOJRJIEPB-ZFWWWQNUSA-N 1 3 338.883 2.204 10 0 EEAEHO CCN(CCNCc1ccc(Cl)s1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273753874 1284841185 /nfs/dbraw/zinc/84/11/85/1284841185.db2.gz ZXJDOZCMABAWLI-GFCCVEGCSA-N 1 3 329.897 2.291 10 0 EEAEHO CCN(CCNCc1ccc(Cl)s1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273753874 1284841196 /nfs/dbraw/zinc/84/11/96/1284841196.db2.gz ZXJDOZCMABAWLI-GFCCVEGCSA-N 1 3 329.897 2.291 10 0 EEAEHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@@H]([NH2+]CCCF)C2CC2)C1 ZINC001490710818 1291595848 /nfs/dbraw/zinc/59/58/48/1291595848.db2.gz VCCIHAUGHHKQPG-PBHICJAKSA-N 1 3 331.451 2.043 10 0 EEAEHO CC(C)[C@H](C(=O)NC[C@@H](NCc1ccccn1)C1CC1)[NH+]1CCCC1 ZINC001490740754 1291653467 /nfs/dbraw/zinc/65/34/67/1291653467.db2.gz FWQINURWTFONHE-RTBURBONSA-N 1 3 344.503 2.186 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc(Cl)n1 ZINC000852844691 1292214139 /nfs/dbraw/zinc/21/41/39/1292214139.db2.gz JRNSGOYVRMCPIF-KGLIPLIRSA-N 1 3 338.883 2.422 10 0 EEAEHO Cc1cc([C@@H](N)CC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc(Cl)n1 ZINC000852844691 1292214148 /nfs/dbraw/zinc/21/41/48/1292214148.db2.gz JRNSGOYVRMCPIF-KGLIPLIRSA-N 1 3 338.883 2.422 10 0 EEAEHO COc1ccccc1/C(C)=C\C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346150 1293184582 /nfs/dbraw/zinc/18/45/82/1293184582.db2.gz PLAVJQNCHVARJL-WAIALKQBSA-N 1 3 347.503 2.487 10 0 EEAEHO COc1ccccc1/C(C)=C\C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346150 1293184585 /nfs/dbraw/zinc/18/45/85/1293184585.db2.gz PLAVJQNCHVARJL-WAIALKQBSA-N 1 3 347.503 2.487 10 0 EEAEHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC000926783331 1296918959 /nfs/dbraw/zinc/91/89/59/1296918959.db2.gz RFRWKTFCUYOLQM-UFRUDQCGSA-N 1 3 343.515 2.338 10 0 EEAEHO CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001277693590 1304197564 /nfs/dbraw/zinc/19/75/64/1304197564.db2.gz LYNZTLQAHMDGRT-CRAIPNDOSA-N 1 3 327.488 2.436 10 0 EEAEHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCOc1ccccc1)N(C)C ZINC001277981883 1305568284 /nfs/dbraw/zinc/56/82/84/1305568284.db2.gz PUUODEHBSXAOOD-PKOBYXMFSA-N 1 3 347.503 2.232 10 0 EEAEHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCOc1ccccc1)N(C)C ZINC001277981881 1305568681 /nfs/dbraw/zinc/56/86/81/1305568681.db2.gz PUUODEHBSXAOOD-IEBWSBKVSA-N 1 3 347.503 2.232 10 0 EEAEHO Cc1cc([C@H](N)CC(=O)NC[C@@H]([NH3+])c2ccccc2)cc(Cl)n1 ZINC000841847938 1315622428 /nfs/dbraw/zinc/62/24/28/1315622428.db2.gz NJGDVHHPVIYANF-HUUCEWRRSA-N 1 3 332.835 2.250 10 0 EEAEHO CCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C(F)(F)F ZINC001264039434 1322595942 /nfs/dbraw/zinc/59/59/42/1322595942.db2.gz VHZMMMCXDCHNHY-UONOGXRCSA-N 1 3 349.441 2.497 10 0 EEAEHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCCCF)CC[C@@H]2C1)N(C)C ZINC001264091356 1322616301 /nfs/dbraw/zinc/61/63/01/1322616301.db2.gz ZIHAGECZTKYKRT-SQNIBIBYSA-N 1 3 341.515 2.493 10 0 EEAEHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCCCF)CC[C@@H]2C1)N(C)C ZINC001264091356 1322616306 /nfs/dbraw/zinc/61/63/06/1322616306.db2.gz ZIHAGECZTKYKRT-SQNIBIBYSA-N 1 3 341.515 2.493 10 0 EEAEHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC001265823847 1323402859 /nfs/dbraw/zinc/40/28/59/1323402859.db2.gz NDHUPAHYYVDFNE-ZDUSSCGKSA-N 1 3 340.899 2.307 10 0 EEAEHO Cc1cncc(CN(C)CCCNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001265932914 1323497311 /nfs/dbraw/zinc/49/73/11/1323497311.db2.gz AHYMIZDPGPOXCV-UHFFFAOYSA-N 1 3 332.492 2.060 10 0 EEAEHO COCCC[N@H+]1CC=C(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001279696306 1323981003 /nfs/dbraw/zinc/98/10/03/1323981003.db2.gz WDPPHLSOGMXLAP-UHFFFAOYSA-N 1 3 345.487 2.147 10 0 EEAEHO COCCC[N@@H+]1CC=C(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001279696306 1323981004 /nfs/dbraw/zinc/98/10/04/1323981004.db2.gz WDPPHLSOGMXLAP-UHFFFAOYSA-N 1 3 345.487 2.147 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCCOc2ccccc2)C1 ZINC001281475712 1325146875 /nfs/dbraw/zinc/14/68/75/1325146875.db2.gz KHZLXRHPOILMHW-MJGOQNOKSA-N 1 3 347.503 2.232 10 0 EEAEHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001491581014 1330172408 /nfs/dbraw/zinc/17/24/08/1330172408.db2.gz YZOMUPZSFHDUFJ-OLZOCXBDSA-N 1 3 341.858 2.415 10 0 EEAEHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001491650836 1330198736 /nfs/dbraw/zinc/19/87/36/1330198736.db2.gz SQJMMGOZIYQJNA-YVEFUNNKSA-N 1 3 339.430 2.388 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CCc1c(F)cccc1Cl ZINC001491681708 1330203879 /nfs/dbraw/zinc/20/38/79/1330203879.db2.gz GSLLQQWKJZMKAD-ZDUSSCGKSA-N 1 3 343.874 2.456 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(Cl)nc1 ZINC001316908369 1331974738 /nfs/dbraw/zinc/97/47/38/1331974738.db2.gz BDSVXJVESPPDLG-HNNXBMFYSA-N 1 3 338.883 2.015 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(Cl)nc1 ZINC001316908369 1331974739 /nfs/dbraw/zinc/97/47/39/1331974739.db2.gz BDSVXJVESPPDLG-HNNXBMFYSA-N 1 3 338.883 2.015 10 0 EEAEHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCOCC1)N(C)C ZINC001317190685 1332123223 /nfs/dbraw/zinc/12/32/23/1332123223.db2.gz WVTZRLJWWOADNB-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO COCCCC[NH2+]C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001317191844 1332123827 /nfs/dbraw/zinc/12/38/27/1332123827.db2.gz GHYQBDNVERLAIP-GOSISDBHSA-N 1 3 339.524 2.116 10 0 EEAEHO Cc1ccccc1CCC[NH2+][C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001317266447 1332158589 /nfs/dbraw/zinc/15/85/89/1332158589.db2.gz WULAISPWVDPPOC-FUHWJXTLSA-N 1 3 331.504 2.364 10 0 EEAEHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CCCc2ccccc2)C1)N(C)C ZINC001317336822 1332184261 /nfs/dbraw/zinc/18/42/61/1332184261.db2.gz JAHRFHGRLBZUMK-MOPGFXCFSA-N 1 3 331.504 2.398 10 0 EEAEHO COCCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001317363590 1332196339 /nfs/dbraw/zinc/19/63/39/1332196339.db2.gz NFZHZQRFXPEMMT-RBUKOAKNSA-N 1 3 347.503 2.415 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](CC[NH2+]Cc3ccccn3)C2)C1 ZINC001318831829 1332607075 /nfs/dbraw/zinc/60/70/75/1332607075.db2.gz YCDBFHISPYYPNI-ROUUACIJSA-N 1 3 344.503 2.142 10 0 EEAEHO CC(C)(C(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCCF)N1CCCCC1 ZINC001320135891 1332835826 /nfs/dbraw/zinc/83/58/26/1332835826.db2.gz XZCSPSGYURIBJE-JKSUJKDBSA-N 1 3 327.488 2.485 10 0 EEAEHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCc1c(F)cccc1Cl)N(C)C ZINC001321709657 1333146471 /nfs/dbraw/zinc/14/64/71/1333146471.db2.gz FIBSFBURNUZZNH-WBMJQRKESA-N 1 3 343.874 2.456 10 0 EEAEHO CC[C@H](F)CN1C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001325954744 1334005477 /nfs/dbraw/zinc/00/54/77/1334005477.db2.gz FNBOBUYRKWZTIV-YESZJQIVSA-N 1 3 327.488 2.389 10 0 EEAEHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CCO1 ZINC001326980504 1334195777 /nfs/dbraw/zinc/19/57/77/1334195777.db2.gz UVZIEPONMXSDCE-MSOLQXFVSA-N 1 3 339.524 2.112 10 0 EEAEHO CCCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001330549507 1334869052 /nfs/dbraw/zinc/86/90/52/1334869052.db2.gz DUIFSFAQDPADLE-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCCC(C)(C)C ZINC001331806213 1335646482 /nfs/dbraw/zinc/64/64/82/1335646482.db2.gz WSFJSCZXKWLPFF-IAGOWNOFSA-N 1 3 341.540 2.142 10 0 EEAEHO COCCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC001332217175 1335770023 /nfs/dbraw/zinc/77/00/23/1335770023.db2.gz GXCAIRQAPLWQHM-QFBILLFUSA-N 1 3 347.503 2.367 10 0 EEAEHO COCCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC001332217175 1335770027 /nfs/dbraw/zinc/77/00/27/1335770027.db2.gz GXCAIRQAPLWQHM-QFBILLFUSA-N 1 3 347.503 2.367 10 0 EEAEHO CO[C@@H](CN1CCCC[C@@H]1CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001480322997 1337992952 /nfs/dbraw/zinc/99/29/52/1337992952.db2.gz GRWHDLDEYVLEJW-MOPGFXCFSA-N 1 3 347.503 2.297 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]C/C=C/Cl)CC2)CCC1 ZINC001570040423 1343003241 /nfs/dbraw/zinc/00/32/41/1343003241.db2.gz QLCKJWJYECMSMJ-LNPHFEJUSA-N 1 3 327.900 2.488 10 0 EEAEHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CCCCCF)C1 ZINC001570514303 1343077359 /nfs/dbraw/zinc/07/73/59/1343077359.db2.gz QROTZKFBZVKVKX-IRXDYDNUSA-N 1 3 327.488 2.439 10 0 EEAEHO CC(C)OCCC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001570514410 1343077686 /nfs/dbraw/zinc/07/76/86/1343077686.db2.gz YIPOVDDHBMNUEO-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001676971283 1357252782 /nfs/dbraw/zinc/25/27/82/1357252782.db2.gz VBZDPRJSAPEJDZ-MSOLQXFVSA-N 1 3 340.471 2.378 10 0 EEAEHO Cc1cccc(OCCN2CC=C(CNC(=O)CC[NH+](C)C)CC2)c1 ZINC001677599006 1357368296 /nfs/dbraw/zinc/36/82/96/1357368296.db2.gz RXFCXDXIYWUDSB-UHFFFAOYSA-N 1 3 345.487 2.074 10 0 EEAEHO CN1CCN(Cc2cccc(C[NH2+][C@@H]3COC4(CCC4)C3)c2)CC1 ZINC001647275083 1353215151 /nfs/dbraw/zinc/21/51/51/1353215151.db2.gz KKLNELZPYHTKES-IBGZPJMESA-N 1 3 329.488 2.235 10 0 EEAEHO CC(C)OCCCN1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001656970560 1354305141 /nfs/dbraw/zinc/30/51/41/1354305141.db2.gz OILQRAQSECWCPU-SJORKVTESA-N 1 3 337.508 2.009 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)N(C)C)CC(C)(C)C1 ZINC001657106156 1354328554 /nfs/dbraw/zinc/32/85/54/1354328554.db2.gz MQBRRYXJRZGQMR-SJORKVTESA-N 1 3 341.540 2.360 10 0 EEAEHO CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)N(C)C)CC(C)(C)C1 ZINC001657106156 1354328558 /nfs/dbraw/zinc/32/85/58/1354328558.db2.gz MQBRRYXJRZGQMR-SJORKVTESA-N 1 3 341.540 2.360 10 0 EEAEHO CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCOC1CCC1)N(C)C ZINC001661946041 1354726897 /nfs/dbraw/zinc/72/68/97/1354726897.db2.gz DFFJTMRIBBVDRM-FUHWJXTLSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1nocc1CN1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001663067010 1354906845 /nfs/dbraw/zinc/90/68/45/1354906845.db2.gz OVQGYVUBBYFRPB-BPQIPLTHSA-N 1 3 348.491 2.184 10 0 EEAEHO Cc1nocc1CN1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001663067010 1354906848 /nfs/dbraw/zinc/90/68/48/1354906848.db2.gz OVQGYVUBBYFRPB-BPQIPLTHSA-N 1 3 348.491 2.184 10 0 EEAEHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2CC[NH2+]Cc2cccnc2)C1 ZINC001667284383 1355698353 /nfs/dbraw/zinc/69/83/53/1355698353.db2.gz KMIVFKUMIQTTNY-IEBWSBKVSA-N 1 3 344.503 2.284 10 0 EEAEHO COCCC[NH2+]CC[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001667296832 1355702013 /nfs/dbraw/zinc/70/20/13/1355702013.db2.gz UMFBGVFWOJMXMP-GOSISDBHSA-N 1 3 339.524 2.116 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CC[C@@H]1CCOC1 ZINC001667307103 1355705432 /nfs/dbraw/zinc/70/54/32/1355705432.db2.gz QQQYSPNNAZKWMF-QZTJIDSGSA-N 1 3 339.524 2.114 10 0 EEAEHO CC[C@H](C(=O)N(CC)CC[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001668619835 1355974279 /nfs/dbraw/zinc/97/42/79/1355974279.db2.gz WYYRHQVGQUQQSZ-GOSISDBHSA-N 1 3 330.476 2.446 10 0 EEAEHO CCc1nocc1CNCCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001670275747 1356309828 /nfs/dbraw/zinc/30/98/28/1356309828.db2.gz QDXMYHXOYXTOBE-SJLPKXTDSA-N 1 3 348.491 2.192 10 0 EEAEHO CCc1nocc1CNCCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001670275747 1356309832 /nfs/dbraw/zinc/30/98/32/1356309832.db2.gz QDXMYHXOYXTOBE-SJLPKXTDSA-N 1 3 348.491 2.192 10 0 EEAEHO COCCCCC[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001673396765 1356684760 /nfs/dbraw/zinc/68/47/60/1356684760.db2.gz KKWHQVYGNNKFBJ-MSOLQXFVSA-N 1 3 339.524 2.116 10 0 EEAEHO COCCCCC[N@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001673396765 1356684764 /nfs/dbraw/zinc/68/47/64/1356684764.db2.gz KKWHQVYGNNKFBJ-MSOLQXFVSA-N 1 3 339.524 2.116 10 0 EEAEHO CC[C@H](C)C[NH2+]CCCOC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001675149742 1356938925 /nfs/dbraw/zinc/93/89/25/1356938925.db2.gz RNDHWTSMEONWGY-WMZOPIPTSA-N 1 3 339.524 2.114 10 0 EEAEHO CCc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001698838944 1405100223 /nfs/dbraw/zinc/10/02/23/1405100223.db2.gz GTGHASSTJMPVGC-APWZRJJASA-N 1 3 331.504 2.322 10 0 EEAEHO C[C@@H](NCCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1cc(F)ccc1F ZINC001699550162 1405384699 /nfs/dbraw/zinc/38/46/99/1405384699.db2.gz FDVVARREXVQUCP-KGLIPLIRSA-N 1 3 339.430 2.416 10 0 EEAEHO C[C@@H](NCCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)c1cc(F)ccc1F ZINC001699550162 1405384704 /nfs/dbraw/zinc/38/47/04/1405384704.db2.gz FDVVARREXVQUCP-KGLIPLIRSA-N 1 3 339.430 2.416 10 0 EEAEHO CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000923314189 789352847 /nfs/dbraw/zinc/35/28/47/789352847.db2.gz SFIHAOZNCYJWCE-QHEDDYRISA-N 1 3 328.522 2.195 10 0 EEAEHO Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CC[C@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC000923500932 789685353 /nfs/dbraw/zinc/68/53/53/789685353.db2.gz SBOMFEMPERLZED-OWCLPIDISA-N 1 3 346.475 2.257 10 0 EEAEHO C[C@@H]1[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCN1C ZINC000913939945 794622446 /nfs/dbraw/zinc/62/24/46/794622446.db2.gz QDTHSUSVCBBQCU-CRAIPNDOSA-N 1 3 330.476 2.174 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)Cc1ccccc1F ZINC001566550240 1125722297 /nfs/dbraw/zinc/72/22/97/1125722297.db2.gz FHXILQXURBCEFF-SFHVURJKSA-N 1 3 347.478 2.496 10 0 EEAEHO CC[C@H](F)C[NH2+][C@H](CNC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001436794788 1088362928 /nfs/dbraw/zinc/36/29/28/1088362928.db2.gz YQBIYWCEAPBXQM-JKSUJKDBSA-N 1 3 327.488 2.483 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@H+](C)C[C@@H]2CCCCO2)C1 ZINC001436855125 1088500679 /nfs/dbraw/zinc/50/06/79/1088500679.db2.gz VZQPETUNSVAXEL-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@@H+](C)C[C@@H]2CCCCO2)C1 ZINC001436855125 1088500689 /nfs/dbraw/zinc/50/06/89/1088500689.db2.gz VZQPETUNSVAXEL-MSOLQXFVSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001437739510 1090299189 /nfs/dbraw/zinc/29/91/89/1090299189.db2.gz OBYAJKJUOYJXOP-KRWDZBQOSA-N 1 3 342.487 2.446 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001437739510 1090299194 /nfs/dbraw/zinc/29/91/94/1090299194.db2.gz OBYAJKJUOYJXOP-KRWDZBQOSA-N 1 3 342.487 2.446 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CCN(C/C=C/Cl)C1 ZINC001437919885 1090506978 /nfs/dbraw/zinc/50/69/78/1090506978.db2.gz QPCBESVXMUTNAC-NBZFBGEYSA-N 1 3 327.900 2.440 10 0 EEAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CCN(C/C=C/Cl)C1 ZINC001437919885 1090506984 /nfs/dbraw/zinc/50/69/84/1090506984.db2.gz QPCBESVXMUTNAC-NBZFBGEYSA-N 1 3 327.900 2.440 10 0 EEAEHO Cc1ncccc1C[N@H+]1CC[C@@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001437963367 1090557407 /nfs/dbraw/zinc/55/74/07/1090557407.db2.gz XRPSPPJNSFDFNL-QGZVFWFLSA-N 1 3 332.492 2.058 10 0 EEAEHO Cc1ncccc1C[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001437963367 1090557409 /nfs/dbraw/zinc/55/74/09/1090557409.db2.gz XRPSPPJNSFDFNL-QGZVFWFLSA-N 1 3 332.492 2.058 10 0 EEAEHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccc(C)nc1C ZINC001438332864 1090807503 /nfs/dbraw/zinc/80/75/03/1090807503.db2.gz LSZUKMMCXYJZSI-RDTXWAMCSA-N 1 3 332.492 2.025 10 0 EEAEHO Cc1nc(CNC[C@@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cs1 ZINC001438511134 1091003124 /nfs/dbraw/zinc/00/31/24/1091003124.db2.gz ZDDXMHHCVJPIQE-CJNGLKHVSA-N 1 3 338.521 2.168 10 0 EEAEHO Cc1nc(CNC[C@@H](C)CNC(=O)CC[C@@H]2CCC[N@H+]2C)cs1 ZINC001438511134 1091003131 /nfs/dbraw/zinc/00/31/31/1091003131.db2.gz ZDDXMHHCVJPIQE-CJNGLKHVSA-N 1 3 338.521 2.168 10 0 EEAEHO CCC(CC)CN1CCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001438583513 1091070482 /nfs/dbraw/zinc/07/04/82/1091070482.db2.gz VYSOLCGVINSPSD-KRWDZBQOSA-N 1 3 339.524 2.114 10 0 EEAEHO COc1ccc(C)cc1CNC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001445384657 1091127129 /nfs/dbraw/zinc/12/71/29/1091127129.db2.gz BHHRIYMZLSLJDO-AEFFLSMTSA-N 1 3 347.503 2.472 10 0 EEAEHO COc1ccc(C)cc1CNC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001445384657 1091127133 /nfs/dbraw/zinc/12/71/33/1091127133.db2.gz BHHRIYMZLSLJDO-AEFFLSMTSA-N 1 3 347.503 2.472 10 0 EEAEHO Cc1cncc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C[C@@H]2C)c1 ZINC001438760924 1091328738 /nfs/dbraw/zinc/32/87/38/1091328738.db2.gz AXGOROLWRCXGFB-FUHWJXTLSA-N 1 3 332.492 2.057 10 0 EEAEHO CC(C)[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001438829845 1091447979 /nfs/dbraw/zinc/44/79/79/1091447979.db2.gz QHEQYBXLZBOIDW-YJBOKZPZSA-N 1 3 335.467 2.398 10 0 EEAEHO Cc1nc(C)c(CNC[C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC001439125582 1091769731 /nfs/dbraw/zinc/76/97/31/1091769731.db2.gz YXUDMJUQPFYLOH-DOMZBBRYSA-N 1 3 338.521 2.229 10 0 EEAEHO Cc1nc(C)c(CNC[C@@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)s1 ZINC001439125582 1091769735 /nfs/dbraw/zinc/76/97/35/1091769735.db2.gz YXUDMJUQPFYLOH-DOMZBBRYSA-N 1 3 338.521 2.229 10 0 EEAEHO CC(C)Oc1ccccc1C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001439154985 1091795789 /nfs/dbraw/zinc/79/57/89/1091795789.db2.gz QMWHUQJJDCMJED-IAGOWNOFSA-N 1 3 347.503 2.410 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](CNCc2ccccn2)C2CC2)C1 ZINC001445970012 1091924153 /nfs/dbraw/zinc/92/41/53/1091924153.db2.gz PCJFFBQIQXRQJS-PKOBYXMFSA-N 1 3 344.503 2.188 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](CNCc2ccccn2)C2CC2)C1 ZINC001445970012 1091924162 /nfs/dbraw/zinc/92/41/62/1091924162.db2.gz PCJFFBQIQXRQJS-PKOBYXMFSA-N 1 3 344.503 2.188 10 0 EEAEHO Cc1ncccc1CNC1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001446180453 1092246710 /nfs/dbraw/zinc/24/67/10/1092246710.db2.gz FBGFVJKRACGBQQ-KRWDZBQOSA-N 1 3 330.476 2.003 10 0 EEAEHO Cc1ncccc1CNC1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001446180453 1092246724 /nfs/dbraw/zinc/24/67/24/1092246724.db2.gz FBGFVJKRACGBQQ-KRWDZBQOSA-N 1 3 330.476 2.003 10 0 EEAEHO CN(CC(=O)NCC1([NH2+][C@H]2CCc3ccccc32)CC1)C1CCC1 ZINC001446185196 1092259860 /nfs/dbraw/zinc/25/98/60/1092259860.db2.gz VQSJCXMDUOXBBS-SFHVURJKSA-N 1 3 327.472 2.397 10 0 EEAEHO C[NH+](C)CCC(=O)N1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001440146030 1093206617 /nfs/dbraw/zinc/20/66/17/1093206617.db2.gz BUWWEZIHIVBAKS-IYBDPMFKSA-N 1 3 335.879 2.182 10 0 EEAEHO C[NH+](C)CCCC(=O)N1CCC[C@H]2[C@@H]1CCN2CCC(F)(F)F ZINC001440183748 1093241893 /nfs/dbraw/zinc/24/18/93/1093241893.db2.gz CSUCNRBWEXFJDQ-KBPBESRZSA-N 1 3 335.414 2.346 10 0 EEAEHO Cc1ccc(CC[N@@H+]2C[C@@H]3[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]3C2)cc1 ZINC001448462229 1093470967 /nfs/dbraw/zinc/47/09/67/1093470967.db2.gz DAMWPJHDYNURFG-OWZKRDHZSA-N 1 3 343.515 2.172 10 0 EEAEHO Cc1ccc(CC[N@H+]2C[C@@H]3[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]3C2)cc1 ZINC001448462229 1093470972 /nfs/dbraw/zinc/47/09/72/1093470972.db2.gz DAMWPJHDYNURFG-OWZKRDHZSA-N 1 3 343.515 2.172 10 0 EEAEHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001440466371 1093689591 /nfs/dbraw/zinc/68/95/91/1093689591.db2.gz RVJAIABCYHRSCI-MSOLQXFVSA-N 1 3 339.524 2.257 10 0 EEAEHO Cc1ncccc1CN[C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001448777363 1093856861 /nfs/dbraw/zinc/85/68/61/1093856861.db2.gz OHISNOJBBXGOFA-VQIMIIECSA-N 1 3 346.519 2.447 10 0 EEAEHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2nc(C)c(C)s2)C1)N(C)C ZINC001440759247 1094000726 /nfs/dbraw/zinc/00/07/26/1094000726.db2.gz FLARDUWTIUTMMA-NRXISQOPSA-N 1 3 338.521 2.085 10 0 EEAEHO CC[C@H](F)CN1CCC(C2(NC(=O)CC[N@H+](C)CC)CC2)CC1 ZINC001449411715 1094395483 /nfs/dbraw/zinc/39/54/83/1094395483.db2.gz QNSQVAYXJIPVRF-INIZCTEOSA-N 1 3 327.488 2.437 10 0 EEAEHO CC[C@H](F)CN1CCC(C2(NC(=O)CC[N@@H+](C)CC)CC2)CC1 ZINC001449411715 1094395490 /nfs/dbraw/zinc/39/54/90/1094395490.db2.gz QNSQVAYXJIPVRF-INIZCTEOSA-N 1 3 327.488 2.437 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001441375162 1094908092 /nfs/dbraw/zinc/90/80/92/1094908092.db2.gz HUZLCTRGRXNLJU-SAABIXHNSA-N 1 3 342.487 2.494 10 0 EEAEHO O=C(NC1CCC(NC/C(Cl)=C/Cl)CC1)C12CC[NH+](CC1)C2 ZINC001441759791 1095756901 /nfs/dbraw/zinc/75/69/01/1095756901.db2.gz QPVMYWMAICNBAJ-XFXZXTDPSA-N 1 3 346.302 2.418 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC1CCOCC1 ZINC001442337328 1096658753 /nfs/dbraw/zinc/65/87/53/1096658753.db2.gz RKXHPSQVZJDCLJ-AEFFLSMTSA-N 1 3 339.524 2.162 10 0 EEAEHO Cc1nsc(C)c1CN1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001442866703 1097259499 /nfs/dbraw/zinc/25/94/99/1097259499.db2.gz AKUUMHIBWMXVLX-OAHLLOKOSA-N 1 3 338.521 2.040 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1)N(C)C ZINC001444170340 1098720171 /nfs/dbraw/zinc/72/01/71/1098720171.db2.gz PTJOWMDROHENHH-DZKIICNBSA-N 1 3 338.521 2.246 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)C[C@H]1CCCOC1 ZINC001479739467 1098854233 /nfs/dbraw/zinc/85/42/33/1098854233.db2.gz YLDAZEFDCRLSBF-MSOLQXFVSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)C[C@H]1CCCOC1 ZINC001479739467 1098854246 /nfs/dbraw/zinc/85/42/46/1098854246.db2.gz YLDAZEFDCRLSBF-MSOLQXFVSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCN(C)CC(=O)N1CCc2sc(C[NH2+]CC(C)C)nc2C1 ZINC001479741693 1098863673 /nfs/dbraw/zinc/86/36/73/1098863673.db2.gz GBQKZRHCARPXPW-UHFFFAOYSA-N 1 3 338.521 2.115 10 0 EEAEHO CCn1ccc(CNC[C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001444382716 1098968131 /nfs/dbraw/zinc/96/81/31/1098968131.db2.gz ULVBAFGKAJKNPV-AEFFLSMTSA-N 1 3 349.523 2.008 10 0 EEAEHO CCn1ccc(CNC[C@@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)n1 ZINC001444382716 1098968135 /nfs/dbraw/zinc/96/81/35/1098968135.db2.gz ULVBAFGKAJKNPV-AEFFLSMTSA-N 1 3 349.523 2.008 10 0 EEAEHO Cc1ncc(CN[C@H](C)[C@@H]2CCCCN2C(=O)CC[NH+](C)C)s1 ZINC001479833297 1099115850 /nfs/dbraw/zinc/11/58/50/1099115850.db2.gz ZPBVJAQQNBYQRS-CJNGLKHVSA-N 1 3 338.521 2.262 10 0 EEAEHO CCN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1ccccc1F ZINC001479859198 1099165095 /nfs/dbraw/zinc/16/50/95/1099165095.db2.gz ACTCJNKSSUTSPE-MRXNPFEDSA-N 1 3 335.467 2.496 10 0 EEAEHO CCN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1ccccc1F ZINC001479859198 1099165097 /nfs/dbraw/zinc/16/50/97/1099165097.db2.gz ACTCJNKSSUTSPE-MRXNPFEDSA-N 1 3 335.467 2.496 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](Cc1cccnc1)C1CC1 ZINC001479881316 1099250788 /nfs/dbraw/zinc/25/07/88/1099250788.db2.gz ZRPAUGGYPGJWBC-LJQANCHMSA-N 1 3 344.503 2.427 10 0 EEAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](Cc1cccnc1)C1CC1 ZINC001479881316 1099250796 /nfs/dbraw/zinc/25/07/96/1099250796.db2.gz ZRPAUGGYPGJWBC-LJQANCHMSA-N 1 3 344.503 2.427 10 0 EEAEHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)c(F)c1 ZINC001444713861 1099575227 /nfs/dbraw/zinc/57/52/27/1099575227.db2.gz BKOMQPZNOUUMPL-CYBMUJFWSA-N 1 3 327.419 2.242 10 0 EEAEHO C[N@H+](CC[C@H]1CCCCO1)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001480083373 1099633268 /nfs/dbraw/zinc/63/32/68/1099633268.db2.gz CLKIBOLUBRNSFE-SJLPKXTDSA-N 1 3 348.491 2.082 10 0 EEAEHO C[N@@H+](CC[C@H]1CCCCO1)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001480083373 1099633272 /nfs/dbraw/zinc/63/32/72/1099633272.db2.gz CLKIBOLUBRNSFE-SJLPKXTDSA-N 1 3 348.491 2.082 10 0 EEAEHO Cc1ncccc1CN1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001480189641 1099787772 /nfs/dbraw/zinc/78/77/72/1099787772.db2.gz QBFXMBVVMNSFJZ-OALUTQOASA-N 1 3 344.503 2.155 10 0 EEAEHO CC[C@H](C(=O)NC1CCC([NH2+]CCC2CCOCC2)CC1)N(C)C ZINC001480404945 1100219535 /nfs/dbraw/zinc/21/95/35/1100219535.db2.gz JAVGKJHTFHDPPM-DAWZGUTISA-N 1 3 339.524 2.160 10 0 EEAEHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccc(Cl)c(F)c1 ZINC001480463353 1100268315 /nfs/dbraw/zinc/26/83/15/1100268315.db2.gz UEEPZOUMYYYOLH-OUCADQQQSA-N 1 3 341.858 2.414 10 0 EEAEHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccc(Cl)c(F)c1 ZINC001480463353 1100268322 /nfs/dbraw/zinc/26/83/22/1100268322.db2.gz UEEPZOUMYYYOLH-OUCADQQQSA-N 1 3 341.858 2.414 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)NCc2cnccc2C)C1 ZINC001480523429 1100354015 /nfs/dbraw/zinc/35/40/15/1100354015.db2.gz YDSWGCLFPNNDID-IRXDYDNUSA-N 1 3 332.492 2.106 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)NCc2cnccc2C)C1 ZINC001480523429 1100354023 /nfs/dbraw/zinc/35/40/23/1100354023.db2.gz YDSWGCLFPNNDID-IRXDYDNUSA-N 1 3 332.492 2.106 10 0 EEAEHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)NCCF ZINC001496561402 1101162246 /nfs/dbraw/zinc/16/22/46/1101162246.db2.gz KMARCNFCVLJTOP-WBVHZDCISA-N 1 3 327.488 2.341 10 0 EEAEHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)NCCF ZINC001496561402 1101162248 /nfs/dbraw/zinc/16/22/48/1101162248.db2.gz KMARCNFCVLJTOP-WBVHZDCISA-N 1 3 327.488 2.341 10 0 EEAEHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC001496707912 1101308961 /nfs/dbraw/zinc/30/89/61/1101308961.db2.gz RFQNPEUFGFOFLE-CRAIPNDOSA-N 1 3 342.487 2.398 10 0 EEAEHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)Cc2ccc3cc[nH]c3c2)CC[N@H+]1C ZINC001496707912 1101308971 /nfs/dbraw/zinc/30/89/71/1101308971.db2.gz RFQNPEUFGFOFLE-CRAIPNDOSA-N 1 3 342.487 2.398 10 0 EEAEHO O=C(CN1CCCC1)NC/C=C\C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001497749148 1103015343 /nfs/dbraw/zinc/01/53/43/1103015343.db2.gz DMYAUFDPPXXURX-JXCVUKRWSA-N 1 3 341.499 2.149 10 0 EEAEHO CC[C@H](C[NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCCCC1)OC ZINC001448225185 1104211095 /nfs/dbraw/zinc/21/10/95/1104211095.db2.gz MIAVXHKGQPMZSE-DLBZAZTESA-N 1 3 339.524 2.162 10 0 EEAEHO C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@H]1CCC(F)(F)C1 ZINC001494666663 1104253289 /nfs/dbraw/zinc/25/32/89/1104253289.db2.gz ITYCPEUBZXUSFT-KKUMJFAQSA-N 1 3 329.435 2.049 10 0 EEAEHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001480598036 1106737078 /nfs/dbraw/zinc/73/70/78/1106737078.db2.gz XZBMIZLJOZTRNW-IRXDYDNUSA-N 1 3 331.504 2.226 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCCC1(F)F ZINC001498172333 1107023035 /nfs/dbraw/zinc/02/30/35/1107023035.db2.gz OQOIVXCCLBORGO-WCQYABFASA-N 1 3 328.407 2.180 10 0 EEAEHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccc(Cl)nc1 ZINC001480789010 1107120669 /nfs/dbraw/zinc/12/06/69/1107120669.db2.gz AAXFGBXYVVEWTJ-KBPBESRZSA-N 1 3 338.883 2.061 10 0 EEAEHO Cc1nc(CNC[C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)c(C)o1 ZINC001498490643 1107626809 /nfs/dbraw/zinc/62/68/09/1107626809.db2.gz ORZPFUZCRALYEK-JKSUJKDBSA-N 1 3 336.480 2.008 10 0 EEAEHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]C/C=C/c2ccccc2)C1 ZINC001498611851 1107807236 /nfs/dbraw/zinc/80/72/36/1107807236.db2.gz CFIXXACGJJWAKG-OPUMOTSWSA-N 1 3 329.488 2.480 10 0 EEAEHO CC(C)[C@H](C(=O)NC[C@@H]1CCN(CCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001493270048 1107821311 /nfs/dbraw/zinc/82/13/11/1107821311.db2.gz ZZONNCIYMSJLEB-LSDHHAIUSA-N 1 3 349.441 2.497 10 0 EEAEHO CCC[N@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)C[C@H]1CCOC1 ZINC001493316600 1107920630 /nfs/dbraw/zinc/92/06/30/1107920630.db2.gz ODOQUPDNFCFBGQ-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CCC[N@@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)C[C@H]1CCOC1 ZINC001493316600 1107920637 /nfs/dbraw/zinc/92/06/37/1107920637.db2.gz ODOQUPDNFCFBGQ-MSOLQXFVSA-N 1 3 339.524 2.114 10 0 EEAEHO CCCCOCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001499619853 1112416201 /nfs/dbraw/zinc/41/62/01/1112416201.db2.gz QIHCYQLUZBPCSW-LJQANCHMSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCCOCC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001499619853 1112416205 /nfs/dbraw/zinc/41/62/05/1112416205.db2.gz QIHCYQLUZBPCSW-LJQANCHMSA-N 1 3 339.524 2.068 10 0 EEAEHO C[C@H]1C[C@H](NCc2c(F)cccc2F)CCN1C(=O)CC[NH+](C)C ZINC001499844652 1112509686 /nfs/dbraw/zinc/50/96/86/1112509686.db2.gz PAJKQNJMHZEPFU-UONOGXRCSA-N 1 3 339.430 2.386 10 0 EEAEHO CCOCCC[NH2+][C@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001566072218 1113918884 /nfs/dbraw/zinc/91/88/84/1113918884.db2.gz XDRQLQVLMPLDIV-KRWDZBQOSA-N 1 3 339.524 2.258 10 0 EEAEHO Cc1nsc(C)c1C[NH2+][C@@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001505622194 1114091429 /nfs/dbraw/zinc/09/14/29/1114091429.db2.gz QTTYBAKSBLFWAY-RYUDHWBXSA-N 1 3 338.521 2.227 10 0 EEAEHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001505935256 1114288243 /nfs/dbraw/zinc/28/82/43/1114288243.db2.gz DKPAKOMKIOPJHJ-KBPBESRZSA-N 1 3 331.451 2.343 10 0 EEAEHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001505935256 1114288244 /nfs/dbraw/zinc/28/82/44/1114288244.db2.gz DKPAKOMKIOPJHJ-KBPBESRZSA-N 1 3 331.451 2.343 10 0 EEAEHO CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NC/C(Cl)=C/Cl ZINC001506992877 1115038182 /nfs/dbraw/zinc/03/81/82/1115038182.db2.gz URAQOTZJQLUVHK-LRZCHELBSA-N 1 3 336.307 2.378 10 0 EEAEHO CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NC/C(Cl)=C/Cl ZINC001506992877 1115038183 /nfs/dbraw/zinc/03/81/83/1115038183.db2.gz URAQOTZJQLUVHK-LRZCHELBSA-N 1 3 336.307 2.378 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCCOc2ccccc2)[C@@H]1C ZINC001507299296 1115180352 /nfs/dbraw/zinc/18/03/52/1115180352.db2.gz UURSQFBCUVAXAO-PKOBYXMFSA-N 1 3 347.503 2.375 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C)nc2C)C[C@@H]1C ZINC001507329483 1115195860 /nfs/dbraw/zinc/19/58/60/1115195860.db2.gz VJWOOWIFUJLSJJ-MAUKXSAKSA-N 1 3 332.492 2.119 10 0 EEAEHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCc2cncc(C)c2)C(C)(C)C1 ZINC001507450432 1115276514 /nfs/dbraw/zinc/27/65/14/1115276514.db2.gz FOEJEBVDZPZAGL-SFHVURJKSA-N 1 3 346.519 2.449 10 0 EEAEHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCc2cncc(C)c2)C(C)(C)C1 ZINC001507450432 1115276516 /nfs/dbraw/zinc/27/65/16/1115276516.db2.gz FOEJEBVDZPZAGL-SFHVURJKSA-N 1 3 346.519 2.449 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]C[C@H]1CC(C)(C)CO1)C(C)(C)C ZINC001508033722 1115396495 /nfs/dbraw/zinc/39/64/95/1115396495.db2.gz BJXDUXXBMHOKHO-CVEARBPZSA-N 1 3 341.540 2.262 10 0 EEAEHO CCN(CCNCc1cccnc1)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001568756285 1124771063 /nfs/dbraw/zinc/77/10/63/1124771063.db2.gz SAUNGJBLTURHMV-GOSISDBHSA-N 1 3 332.492 2.140 10 0 EEAEHO CCN(CCNCc1cccnc1)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001568756285 1124771072 /nfs/dbraw/zinc/77/10/72/1124771072.db2.gz SAUNGJBLTURHMV-GOSISDBHSA-N 1 3 332.492 2.140 10 0 EEAEHO CN([C@@H](C[NH3+])c1ccccc1Br)[C@@H]1CCCN(C)C1 ZINC000053205461 214170530 /nfs/dbraw/zinc/17/05/30/214170530.db2.gz AGLSNUNFRXGWOB-DOMZBBRYSA-N 1 3 326.282 2.475 10 0 EEAEHO CN(C)CCC[NH2+]CCN(C)Cc1cc(Br)cs1 ZINC000053429585 214182286 /nfs/dbraw/zinc/18/22/86/214182286.db2.gz GWIUCQDBZFQZEJ-UHFFFAOYSA-N 1 3 334.327 2.484 10 0 EEAEHO CN(CCNCCC[NH+](C)C)Cc1cc(Br)cs1 ZINC000053429585 214182289 /nfs/dbraw/zinc/18/22/89/214182289.db2.gz GWIUCQDBZFQZEJ-UHFFFAOYSA-N 1 3 334.327 2.484 10 0 EEAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179468269 233068693 /nfs/dbraw/zinc/06/86/93/233068693.db2.gz AEWPWGGFLQLFID-NXWXRZEISA-N 1 3 342.487 2.310 10 0 EEAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179468269 233068695 /nfs/dbraw/zinc/06/86/95/233068695.db2.gz AEWPWGGFLQLFID-NXWXRZEISA-N 1 3 342.487 2.310 10 0 EEAEHO CCN1CCN(c2ccccc2N[C@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000422922881 240292456 /nfs/dbraw/zinc/29/24/56/240292456.db2.gz RBXYOOZZIHEZJX-SJORKVTESA-N 1 3 332.492 2.007 10 0 EEAEHO CCN1CCC[C@H]1CN(C)C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000174534427 285270402 /nfs/dbraw/zinc/27/04/02/285270402.db2.gz KILPJTQBNXRVDL-SFHVURJKSA-N 1 3 329.488 2.251 10 0 EEAEHO CC(C)[NH+]1CCC(O)(CNCc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000344675175 152816510 /nfs/dbraw/zinc/81/65/10/152816510.db2.gz QYIKIQQIICPBDK-UHFFFAOYSA-N 1 3 328.460 2.402 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@H+](C)C[C@H](C)C(=O)OC)CC1 ZINC000091986023 159212018 /nfs/dbraw/zinc/21/20/18/159212018.db2.gz UBCPSWLXKOSDGX-KRWDZBQOSA-N 1 3 347.503 2.460 10 0 EEAEHO CCCN1CCN(c2ccccc2C[N@@H+](C)C[C@H](C)C(=O)OC)CC1 ZINC000091986023 159212020 /nfs/dbraw/zinc/21/20/20/159212020.db2.gz UBCPSWLXKOSDGX-KRWDZBQOSA-N 1 3 347.503 2.460 10 0 EEAEHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246968989 292621913 /nfs/dbraw/zinc/62/19/13/292621913.db2.gz JBSFFVWYFGIALB-GBESFXJTSA-N 1 3 346.519 2.331 10 0 EEAEHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]3CCC[N@@H+]3C)c2)CC1 ZINC000274851416 269063262 /nfs/dbraw/zinc/06/32/62/269063262.db2.gz WVPZALYCMUNTGG-SFHVURJKSA-N 1 3 345.491 2.044 10 0 EEAEHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]3CCC[N@H+]3C)c2)CC1 ZINC000274851416 269063267 /nfs/dbraw/zinc/06/32/67/269063267.db2.gz WVPZALYCMUNTGG-SFHVURJKSA-N 1 3 345.491 2.044 10 0 EEAEHO C[C@@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1CNC1 ZINC000422867872 274244409 /nfs/dbraw/zinc/24/44/09/274244409.db2.gz TZOISXKUUAGANL-LLVKDONJSA-N 1 3 328.382 2.267 10 0 EEAEHO CC[N@@H+]1CC[C@@H](N(C)CCc2c(C)nc3ccccn3c2=O)[C@H](C)C1 ZINC000289397602 275113607 /nfs/dbraw/zinc/11/36/07/275113607.db2.gz RYZSHXFHPHUFAY-CRAIPNDOSA-N 1 3 342.487 2.208 10 0 EEAEHO CC[N@H+]1CC[C@@H](N(C)CCc2c(C)nc3ccccn3c2=O)[C@H](C)C1 ZINC000289397602 275113608 /nfs/dbraw/zinc/11/36/08/275113608.db2.gz RYZSHXFHPHUFAY-CRAIPNDOSA-N 1 3 342.487 2.208 10 0 EEAEHO C[NH+](C)CCOc1ccccc1N1CCN(C[C@@H](O)C(C)(C)C)CC1 ZINC000289654467 275136118 /nfs/dbraw/zinc/13/61/18/275136118.db2.gz COOAYNNBJSTAQF-LJQANCHMSA-N 1 3 349.519 2.156 10 0 EEAEHO CCCN1CC2(C[C@@H]1C(=O)NCc1ccc(O)cc1)CC[NH+](C)CC2 ZINC000072430579 276004006 /nfs/dbraw/zinc/00/40/06/276004006.db2.gz JZDHDUPDDSEVCI-GOSISDBHSA-N 1 3 345.487 2.205 10 0 EEAEHO CCOC(=O)CC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105915697 276277090 /nfs/dbraw/zinc/27/70/90/276277090.db2.gz PEJQBJYDXUDHRD-LJQANCHMSA-N 1 3 348.487 2.317 10 0 EEAEHO CCOC(=O)CC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105915697 276277091 /nfs/dbraw/zinc/27/70/91/276277091.db2.gz PEJQBJYDXUDHRD-LJQANCHMSA-N 1 3 348.487 2.317 10 0 EEAEHO CN(C)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000349788117 289279975 /nfs/dbraw/zinc/27/99/75/289279975.db2.gz WPXAMYVNOMLZBU-ROUUACIJSA-N 1 3 330.476 2.167 10 0 EEAEHO CN(C)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000349788117 289279978 /nfs/dbraw/zinc/27/99/78/289279978.db2.gz WPXAMYVNOMLZBU-ROUUACIJSA-N 1 3 330.476 2.167 10 0 EEAEHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000417636372 313552724 /nfs/dbraw/zinc/55/27/24/313552724.db2.gz XRRIALPOPSQUNB-HLLBOEOZSA-N 1 3 332.492 2.413 10 0 EEAEHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])N(C)C)cc1 ZINC000418203756 313747701 /nfs/dbraw/zinc/74/77/01/313747701.db2.gz KOIDYOSXQQKZKH-ZQIUZPCESA-N 1 3 336.480 2.111 10 0 EEAEHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)N(C)C)cc1 ZINC000418208532 313749129 /nfs/dbraw/zinc/74/91/29/313749129.db2.gz QOTSNPZCKCTFGE-JCGIZDLHSA-N 1 3 348.491 2.208 10 0 EEAEHO CN1CCN(CC[NH2+]Cc2cnc(-c3ccccn3)s2)CC1(C)C ZINC000441343898 315181665 /nfs/dbraw/zinc/18/16/65/315181665.db2.gz HPLBLZCOGJRVBD-UHFFFAOYSA-N 1 3 345.516 2.321 10 0 EEAEHO CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000574762899 320054950 /nfs/dbraw/zinc/05/49/50/320054950.db2.gz AHRPEOALOYLLMU-RBUKOAKNSA-N 1 3 330.472 2.084 10 0 EEAEHO C[C@H](NC(=O)N1CCc2ccccc2[C@H]1CN)C(C)(C)C[NH+](C)C ZINC000575178541 320093660 /nfs/dbraw/zinc/09/36/60/320093660.db2.gz HBTUMDGBMQUTMC-WMLDXEAASA-N 1 3 332.492 2.230 10 0 EEAEHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000581250026 324214441 /nfs/dbraw/zinc/21/44/41/324214441.db2.gz XPWGRVOQYXVHMN-APWZRJJASA-N 1 3 344.503 2.375 10 0 EEAEHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000581250026 324214446 /nfs/dbraw/zinc/21/44/46/324214446.db2.gz XPWGRVOQYXVHMN-APWZRJJASA-N 1 3 344.503 2.375 10 0 EEAEHO CC1CC[NH+](CCCNC(=O)N2CCc3ccccc3[C@H]2CN)CC1 ZINC000581665875 324299683 /nfs/dbraw/zinc/29/96/83/324299683.db2.gz LMDZFZGYLHCZRZ-LJQANCHMSA-N 1 3 344.503 2.376 10 0 EEAEHO CC[NH+]1CCC(NC(=O)CN(C[C@H]2CCCO2)C2CCCC2)CC1 ZINC000075831698 462761343 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338.883 2.204 10 0 EEAEHO Cc1cc(C)cc(OCC[NH2+]C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)c1 ZINC001268661583 1183589615 /nfs/dbraw/zinc/58/96/15/1183589615.db2.gz ACZWDSGWWXMFED-MAUKXSAKSA-N 1 3 347.503 2.118 10 0 EEAEHO C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCCN1C ZINC001482320080 1185336901 /nfs/dbraw/zinc/33/69/01/1185336901.db2.gz QWUWZKDPENMNKO-WMLDXEAASA-N 1 3 337.895 2.413 10 0 EEAEHO Cc1ncc(CNC[C@H](C)N(C)C(=O)CC2CC[NH+](C)CC2)s1 ZINC001482337490 1185434031 /nfs/dbraw/zinc/43/40/31/1185434031.db2.gz AGMKMPHVLOJPFI-ZDUSSCGKSA-N 1 3 338.521 2.120 10 0 EEAEHO C[C@H](CNCc1cncs1)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001482368404 1185529147 /nfs/dbraw/zinc/52/91/47/1185529147.db2.gz PBMWKSQIIQHRFQ-CQSZACIVSA-N 1 3 346.500 2.455 10 0 EEAEHO Cc1cccnc1CNC[C@H](NC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001482408777 1185633896 /nfs/dbraw/zinc/63/38/96/1185633896.db2.gz GYGDVHUBUUKNJM-IBGZPJMESA-N 1 3 346.519 2.496 10 0 EEAEHO Cc1ncoc1CNCC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001271565840 1186316100 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EEAEHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)Cc1ccc(F)cc1 ZINC001409609028 1190101540 /nfs/dbraw/zinc/10/15/40/1190101540.db2.gz DYOLWVXFLZGUJN-UXLLHSPISA-N 1 3 335.467 2.493 10 0 EEAEHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)Cc1ccc(F)cc1 ZINC001409609028 1190101542 /nfs/dbraw/zinc/10/15/42/1190101542.db2.gz DYOLWVXFLZGUJN-UXLLHSPISA-N 1 3 335.467 2.493 10 0 EEAEHO C[C@@H]1[C@H]([NH2+]C/C=C/c2ccccc2)CCN1C(=O)CN1CCCC1 ZINC001486094457 1193679424 /nfs/dbraw/zinc/67/94/24/1193679424.db2.gz BDCHHTOBMPAHAG-FFRPFHMCSA-N 1 3 327.472 2.375 10 0 EEAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2cn(C(C)C)nc2C)C[C@H]1C ZINC001486130740 1193689897 /nfs/dbraw/zinc/68/98/97/1193689897.db2.gz SJXXKEUNYWGZFY-QAPCUYQASA-N 1 3 349.523 2.193 10 0 EEAEHO CC(C)OCCC[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001484097674 1191209617 /nfs/dbraw/zinc/20/96/17/1191209617.db2.gz DDHDJACVTDHOQY-SFHVURJKSA-N 1 3 339.524 2.114 10 0 EEAEHO C[C@@H](F)CC[N@@H+]1CCC[C@@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001484161726 1191249599 /nfs/dbraw/zinc/24/95/99/1191249599.db2.gz YTFKBBONYUCATE-QAPCUYQASA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@@H](F)CC[N@H+]1CCC[C@@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001484161726 1191249601 /nfs/dbraw/zinc/24/96/01/1191249601.db2.gz YTFKBBONYUCATE-QAPCUYQASA-N 1 3 327.488 2.437 10 0 EEAEHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC001484899074 1191568452 /nfs/dbraw/zinc/56/84/52/1191568452.db2.gz KLUNVXRZQUEEOF-QAPCUYQASA-N 1 3 326.444 2.022 10 0 EEAEHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)Cc1ccc(C2CC2)cc1 ZINC001485384792 1191769420 /nfs/dbraw/zinc/76/94/20/1191769420.db2.gz ZCXICIYXVPMBNM-DNVCBOLYSA-N 1 3 329.488 2.452 10 0 EEAEHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(C2CC2)cc1 ZINC001485384792 1191769421 /nfs/dbraw/zinc/76/94/21/1191769421.db2.gz ZCXICIYXVPMBNM-DNVCBOLYSA-N 1 3 329.488 2.452 10 0 EEAEHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)ccc1F)N(C)C ZINC001273122947 1194405261 /nfs/dbraw/zinc/40/52/61/1194405261.db2.gz KJDKTKXDAYQYLI-BLLLJJGKSA-N 1 3 327.419 2.289 10 0 EEAEHO Cc1oncc1C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001410188123 1197593377 /nfs/dbraw/zinc/59/33/77/1197593377.db2.gz OWDBYFCABCEYBG-LZLYRXPVSA-N 1 3 348.491 2.040 10 0 EEAEHO Cc1oncc1C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001410188123 1197593380 /nfs/dbraw/zinc/59/33/80/1197593380.db2.gz OWDBYFCABCEYBG-LZLYRXPVSA-N 1 3 348.491 2.040 10 0 EEAEHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001410224584 1197615032 /nfs/dbraw/zinc/61/50/32/1197615032.db2.gz PWNHZZDYLLLSOY-KBAYOESNSA-N 1 3 335.467 2.396 10 0 EEAEHO CN(C)C1(C(=O)N2CCO[C@H](C[NH2+]CCC3=CCCCC3)C2)CCC1 ZINC001273267815 1197895732 /nfs/dbraw/zinc/89/57/32/1197895732.db2.gz JEZQXOCQSZSMEB-GOSISDBHSA-N 1 3 349.519 2.178 10 0 EEAEHO CCOC(=O)COc1ccc(CCN[C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925573831 1206130599 /nfs/dbraw/zinc/13/05/99/1206130599.db2.gz REDDHZZFDZVOPR-DLBZAZTESA-N 1 3 332.444 2.031 10 0 EEAEHO Cc1c([C@@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cnn1C(C)(C)C ZINC000925848496 1206160202 /nfs/dbraw/zinc/16/02/02/1206160202.db2.gz BMHVTXZKOIRZEL-UKRRQHHQSA-N 1 3 348.491 2.282 10 0 EEAEHO COc1ccc2c(c1F)CC[C@H]2NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925853046 1206160841 /nfs/dbraw/zinc/16/08/41/1206160841.db2.gz XRENPNCUZHDKSY-SWLSCSKDSA-N 1 3 348.418 2.097 10 0 EEAEHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)c(F)c(F)c1 ZINC000925857423 1206162203 /nfs/dbraw/zinc/16/22/03/1206162203.db2.gz VHAPJVTXPVOHLJ-CMPLNLGQSA-N 1 3 342.361 2.440 10 0 EEAEHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2C)cc1 ZINC000928445186 1206384691 /nfs/dbraw/zinc/38/46/91/1206384691.db2.gz PBGLIMPRCQOUPC-YJBOKZPZSA-N 1 3 333.476 2.230 10 0 EEAEHO CCc1ccc([C@H](CNC(=O)COC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000929471709 1206478458 /nfs/dbraw/zinc/47/84/58/1206478458.db2.gz YETIVCYGHTXTBC-IBGZPJMESA-N 1 3 347.503 2.079 10 0 EEAEHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001490843251 1208467792 /nfs/dbraw/zinc/46/77/92/1208467792.db2.gz NENWEDWQBMIPQO-KRWDZBQOSA-N 1 3 326.444 2.166 10 0 EEAEHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C[C@H](C)O1 ZINC000900980336 1235074474 /nfs/dbraw/zinc/07/44/74/1235074474.db2.gz JXNOAHIJGJDSLL-XDNAFOTISA-N 1 3 337.508 2.009 10 0 EEAEHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C[C@H](C)O1 ZINC000900980336 1235074478 /nfs/dbraw/zinc/07/44/78/1235074478.db2.gz JXNOAHIJGJDSLL-XDNAFOTISA-N 1 3 337.508 2.009 10 0 EEAEHO COc1ccc(C[C@@H](C)NC[C@@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000903958231 1242723854 /nfs/dbraw/zinc/72/38/54/1242723854.db2.gz XJXAPRUKJCGCAL-OCCSQVGLSA-N 1 3 328.403 2.469 10 0 EEAEHO Cc1ccccc1OCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001491073208 1258649035 /nfs/dbraw/zinc/64/90/35/1258649035.db2.gz GMQIWRIYLCYOQR-ZIFCJYIRSA-N 1 3 347.503 2.197 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](CNC/C(Cl)=C\Cl)C2)C1 ZINC001491183633 1258747741 /nfs/dbraw/zinc/74/77/41/1258747741.db2.gz FLNDTKPTEPLVHS-DNLHMGNTSA-N 1 3 334.291 2.085 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](CNC/C(Cl)=C\Cl)C2)C1 ZINC001491183633 1258747746 /nfs/dbraw/zinc/74/77/46/1258747746.db2.gz FLNDTKPTEPLVHS-DNLHMGNTSA-N 1 3 334.291 2.085 10 0 EEAEHO C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCCN1Cc1cccnc1 ZINC001491281826 1258888653 /nfs/dbraw/zinc/88/86/53/1258888653.db2.gz LQESOUGRCACHNT-OALUTQOASA-N 1 3 344.503 2.379 10 0 EEAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cnn4ccccc34)cc2)C1 ZINC000850357876 1277197938 /nfs/dbraw/zinc/19/79/38/1277197938.db2.gz XBWAIUIGLURSRB-IBGZPJMESA-N 1 3 336.439 2.191 10 0 EEAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cnn4ccccc34)cc2)C1 ZINC000850357876 1277197940 /nfs/dbraw/zinc/19/79/40/1277197940.db2.gz XBWAIUIGLURSRB-IBGZPJMESA-N 1 3 336.439 2.191 10 0 EEAEHO COc1cccc([C@H](CNC(=O)C=C2CC[NH2+]CC2)N2CCCC2)c1 ZINC000852856198 1292216586 /nfs/dbraw/zinc/21/65/86/1292216586.db2.gz VUNTVADYOBGDSJ-IBGZPJMESA-N 1 3 343.471 2.258 10 0 EEAEHO C[C@H]1CCN(C(=O)C=C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000852872492 1292222994 /nfs/dbraw/zinc/22/29/94/1292222994.db2.gz OQNAJLZJVRNZKB-KRWDZBQOSA-N 1 3 327.472 2.419 10 0 EEAEHO COc1ccc2c(c1)CC[C@H]2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000862166837 1295733093 /nfs/dbraw/zinc/73/30/93/1295733093.db2.gz MUVDHUOCBYIJDA-HNAYVOBHSA-N 1 3 347.503 2.113 10 0 EEAEHO COc1ccc2c(c1)CC[C@H]2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000862166837 1295733101 /nfs/dbraw/zinc/73/31/01/1295733101.db2.gz MUVDHUOCBYIJDA-HNAYVOBHSA-N 1 3 347.503 2.113 10 0 EEAEHO Cc1ccc(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1C ZINC000863549974 1296328795 /nfs/dbraw/zinc/32/87/95/1296328795.db2.gz WARWHGJKRIWAQP-MSOLQXFVSA-N 1 3 329.444 2.060 10 0 EEAEHO CS[C@H]1CC[C@@H](N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC001771789553 1296372029 /nfs/dbraw/zinc/37/20/29/1296372029.db2.gz WZJJLIYSNUEKBR-XHSDSOJGSA-N 1 3 344.569 2.184 10 0 EEAEHO CS[C@H]1CC[C@@H](N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC001771789553 1296372047 /nfs/dbraw/zinc/37/20/47/1296372047.db2.gz WZJJLIYSNUEKBR-XHSDSOJGSA-N 1 3 344.569 2.184 10 0 EEAEHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001277075410 1301165573 /nfs/dbraw/zinc/16/55/73/1301165573.db2.gz VWLKZFUZTMVARZ-SHTZXODSSA-N 1 3 338.883 2.061 10 0 EEAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CCOCC1 ZINC001277186591 1301721629 /nfs/dbraw/zinc/72/16/29/1301721629.db2.gz IICXMZFNJHINRE-SJLPKXTDSA-N 1 3 339.524 2.160 10 0 EEAEHO C[C@@H]1C[C@@H](NCc2cncc(F)c2)CN1C(=O)CCCC[NH+](C)C ZINC001278416463 1310167033 /nfs/dbraw/zinc/16/70/33/1310167033.db2.gz NFXGXTXSDFNBGB-RHSMWYFYSA-N 1 3 336.455 2.032 10 0 EEAEHO CCOCCC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001264685602 1322784239 /nfs/dbraw/zinc/78/42/39/1322784239.db2.gz MKRCUINUSQBAED-QGZVFWFLSA-N 1 3 327.513 2.114 10 0 EEAEHO COCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001281087934 1322834820 /nfs/dbraw/zinc/83/48/20/1322834820.db2.gz OKWHWPKVLZABCL-IBGZPJMESA-N 1 3 348.491 2.083 10 0 EEAEHO COCCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001281087934 1322834823 /nfs/dbraw/zinc/83/48/23/1322834823.db2.gz OKWHWPKVLZABCL-IBGZPJMESA-N 1 3 348.491 2.083 10 0 EEAEHO CCC[N@@H+]1CCC[C@H](C(=O)NCCCN(C)Cc2cccnc2)C1 ZINC001265026049 1322869245 /nfs/dbraw/zinc/86/92/45/1322869245.db2.gz QXOBEGQHEVZUML-SFHVURJKSA-N 1 3 332.492 2.142 10 0 EEAEHO CCC[N@H+]1CCC[C@H](C(=O)NCCCN(C)Cc2cccnc2)C1 ZINC001265026049 1322869248 /nfs/dbraw/zinc/86/92/48/1322869248.db2.gz QXOBEGQHEVZUML-SFHVURJKSA-N 1 3 332.492 2.142 10 0 EEAEHO COCCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001316812154 1331842902 /nfs/dbraw/zinc/84/29/02/1331842902.db2.gz RSMAKTQSTAKBTK-QGZVFWFLSA-N 1 3 341.540 2.360 10 0 EEAEHO COCCCC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001316812154 1331842909 /nfs/dbraw/zinc/84/29/09/1331842909.db2.gz RSMAKTQSTAKBTK-QGZVFWFLSA-N 1 3 341.540 2.360 10 0 EEAEHO CN(CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)Cc1ccccn1 ZINC001316827752 1331917623 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CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCOc2ccccc2)CC1)N(C)C ZINC001318979392 1332632121 /nfs/dbraw/zinc/63/21/21/1332632121.db2.gz POFIKPQMGBVTLP-LNLFQRSKSA-N 1 3 347.503 2.423 10 0 EEAEHO CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]C/C=C/Cl)N1CCCC1 ZINC001320150944 1332838828 /nfs/dbraw/zinc/83/88/28/1332838828.db2.gz DYRHKUDGBNOQGB-VOTDVEDPSA-N 1 3 327.900 2.488 10 0 EEAEHO CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]C/C=C\Cl)N1CCCC1 ZINC001320150942 1332839003 /nfs/dbraw/zinc/83/90/03/1332839003.db2.gz DYRHKUDGBNOQGB-AJNJCKRNSA-N 1 3 327.900 2.488 10 0 EEAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNCc1cncc(F)c1 ZINC001320753023 1332945551 /nfs/dbraw/zinc/94/55/51/1332945551.db2.gz QYIOCXGSAXWDDL-KRWDZBQOSA-N 1 3 336.455 2.033 10 0 EEAEHO CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNCc1cncc(F)c1 ZINC001320753023 1332945554 /nfs/dbraw/zinc/94/55/54/1332945554.db2.gz QYIOCXGSAXWDDL-KRWDZBQOSA-N 1 3 336.455 2.033 10 0 EEAEHO CCN(CC[NH2+]CCc1ccccc1F)C(=O)CN1CC[C@H](C)C1 ZINC001320839366 1332962598 /nfs/dbraw/zinc/96/25/98/1332962598.db2.gz AWEQYRKGTZEJEO-INIZCTEOSA-N 1 3 335.467 2.148 10 0 EEAEHO CCN(CCNCc1cnccc1C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001320891453 1332973329 /nfs/dbraw/zinc/97/33/29/1332973329.db2.gz JHBIVEBQOODZFJ-MJGOQNOKSA-N 1 3 346.519 2.449 10 0 EEAEHO CCN(CC[NH2+]C[C@@H]1CC[C@@H](C)O1)C(=O)c1cccc(CN(C)C)c1 ZINC001320928419 1332980944 /nfs/dbraw/zinc/98/09/44/1332980944.db2.gz KGSMYYJZJIDGFW-APWZRJJASA-N 1 3 347.503 2.367 10 0 EEAEHO C[C@H](NC/C=C/CNC(=O)C1(C[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001321211906 1333045839 /nfs/dbraw/zinc/04/58/39/1333045839.db2.gz UFXYXGNTFJZULU-RGDDUWESSA-N 1 3 333.451 2.491 10 0 EEAEHO Cc1ccc(F)cc1C[NH2+]CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001322693871 1333308952 /nfs/dbraw/zinc/30/89/52/1333308952.db2.gz LOKURKNNQJOWQH-HNNXBMFYSA-N 1 3 335.467 2.414 10 0 EEAEHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]CCCc1ccsc1 ZINC001324273285 1333646828 /nfs/dbraw/zinc/64/68/28/1333646828.db2.gz JTUMJNBUONDFJN-QGZVFWFLSA-N 1 3 335.517 2.357 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CCNCc2cnc(C)o2)C1 ZINC001326288987 1334060494 /nfs/dbraw/zinc/06/04/94/1334060494.db2.gz PVHVQAKZJXRIEA-SJLPKXTDSA-N 1 3 348.491 2.186 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CCNCc2cnc(C)o2)C1 ZINC001326288987 1334060500 /nfs/dbraw/zinc/06/05/00/1334060500.db2.gz PVHVQAKZJXRIEA-SJLPKXTDSA-N 1 3 348.491 2.186 10 0 EEAEHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2cc(C)ns2)C1 ZINC001326417726 1334089491 /nfs/dbraw/zinc/08/94/91/1334089491.db2.gz DKBRWYJIQVBJNI-OAHLLOKOSA-N 1 3 338.521 2.122 10 0 EEAEHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CCCCCF)C2)N(C)C ZINC001330502154 1334860032 /nfs/dbraw/zinc/86/00/32/1334860032.db2.gz OLTLWOKQHFZBEN-INIZCTEOSA-N 1 3 327.488 2.391 10 0 EEAEHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CCCCCF)C2)N(C)C ZINC001330502154 1334860033 /nfs/dbraw/zinc/86/00/33/1334860033.db2.gz OLTLWOKQHFZBEN-INIZCTEOSA-N 1 3 327.488 2.391 10 0 EEAEHO Cc1nc(C)c(CNCCC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)o1 ZINC001330953073 1334934014 /nfs/dbraw/zinc/93/40/14/1334934014.db2.gz BTAJDKDBDUKKSS-BBRMVZONSA-N 1 3 336.480 2.008 10 0 EEAEHO Cc1nc(C)c(CNCCC[C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001330953073 1334934015 /nfs/dbraw/zinc/93/40/15/1334934015.db2.gz BTAJDKDBDUKKSS-BBRMVZONSA-N 1 3 336.480 2.008 10 0 EEAEHO CN(C)C1(C(=O)N(C)[C@@H](C[NH2+]CCC(F)(F)F)C2CC2)CCC1 ZINC001331290983 1334991650 /nfs/dbraw/zinc/99/16/50/1334991650.db2.gz TUEPVEWRXWKVIY-ZDUSSCGKSA-N 1 3 335.414 2.250 10 0 EEAEHO C[C@@H]1C[C@@H]([NH2+]CCOC2CCCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC001332026313 1335708494 /nfs/dbraw/zinc/70/84/94/1335708494.db2.gz JUOUZNBEPVTHNY-NVXWUHKLSA-N 1 3 348.491 2.271 10 0 EEAEHO CN(CCCNCc1cccc(Cl)n1)C(=O)C1(C[NH+](C)C)CC1 ZINC001670223077 1356298450 /nfs/dbraw/zinc/29/84/50/1356298450.db2.gz CRCZOKOLAWNEFX-UHFFFAOYSA-N 1 3 338.883 2.015 10 0 EEAEHO C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCN(CCCCC(F)(F)F)C1 ZINC001500279248 1342129720 /nfs/dbraw/zinc/12/97/20/1342129720.db2.gz CRRPZUDEPSFWOD-HNNXBMFYSA-N 1 3 347.425 2.395 10 0 EEAEHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCCOC)CC1 ZINC001571644430 1343259660 /nfs/dbraw/zinc/25/96/60/1343259660.db2.gz QFSZJLBJGWOLFA-SJLPKXTDSA-N 1 3 339.524 2.114 10 0 EEAEHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CCCCC(F)(F)F)C1 ZINC001571654735 1343263873 /nfs/dbraw/zinc/26/38/73/1343263873.db2.gz MBJNEMBHGRPAFO-RUXDESIVSA-N 1 3 335.414 2.392 10 0 EEAEHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCc1ccc(Cl)nc1 ZINC001676407210 1357147476 /nfs/dbraw/zinc/14/74/76/1357147476.db2.gz OZUWVUOSXHLLGH-ZDUSSCGKSA-N 1 3 338.883 2.013 10 0 EEAEHO COCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001676924855 1357242358 /nfs/dbraw/zinc/24/23/58/1357242358.db2.gz BQMBLPRFIVFAJE-SJORKVTESA-N 1 3 339.524 2.162 10 0 EEAEHO CC[C@H](C(=O)NCC1=CC[N@H+](CC2CC(F)(F)C2)CC1)N(C)C ZINC001677575589 1357360811 /nfs/dbraw/zinc/36/08/11/1357360811.db2.gz XXCVZFFAOKBWMU-OAHLLOKOSA-N 1 3 329.435 2.120 10 0 EEAEHO CC[C@H](C(=O)NCC1=CC[N@@H+](CC2CC(F)(F)C2)CC1)N(C)C ZINC001677575589 1357360818 /nfs/dbraw/zinc/36/08/18/1357360818.db2.gz XXCVZFFAOKBWMU-OAHLLOKOSA-N 1 3 329.435 2.120 10 0 EEAEHO CCOCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001661718520 1354679921 /nfs/dbraw/zinc/67/99/21/1354679921.db2.gz LNUNNVSCIXEUQB-QGZVFWFLSA-N 1 3 339.524 2.116 10 0 EEAEHO CCOCC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001661718520 1354679925 /nfs/dbraw/zinc/67/99/25/1354679925.db2.gz LNUNNVSCIXEUQB-QGZVFWFLSA-N 1 3 339.524 2.116 10 0 EEAEHO CC(C)COCC[N@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001662844530 1354862307 /nfs/dbraw/zinc/86/23/07/1354862307.db2.gz HFIOTOHNNCZRLF-QGZVFWFLSA-N 1 3 339.524 2.066 10 0 EEAEHO CC(C)COCC[N@@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001662844530 1354862308 /nfs/dbraw/zinc/86/23/08/1354862308.db2.gz HFIOTOHNNCZRLF-QGZVFWFLSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1cncc(CNCCN(C)C(=O)C2(C[NH+](C)C)CCCCC2)c1 ZINC001664093694 1355091854 /nfs/dbraw/zinc/09/18/54/1355091854.db2.gz XTRJKEHGYSKLMT-UHFFFAOYSA-N 1 3 346.519 2.450 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@](C)(C[NH2+]CC[C@@H]1CCCCO1)C1CC1 ZINC001666037873 1355429763 /nfs/dbraw/zinc/42/97/63/1355429763.db2.gz NVLHBXGRGHMTTB-QFBILLFUSA-N 1 3 348.491 2.094 10 0 EEAEHO C[C@H](C[NH2+]CCc1c(F)cccc1F)N(C)C(=O)[C@@H]1CCCN1C ZINC001666870933 1355607046 /nfs/dbraw/zinc/60/70/46/1355607046.db2.gz QJPUKNXTTQGHAA-DYVFJYSZSA-N 1 3 339.430 2.038 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cncc(F)c1 ZINC001667239368 1355684257 /nfs/dbraw/zinc/68/42/57/1355684257.db2.gz XTRJVYGZMDUPMH-MSOLQXFVSA-N 1 3 348.466 2.176 10 0 EEAEHO CCc1nocc1CNCC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001668107606 1355872828 /nfs/dbraw/zinc/87/28/28/1355872828.db2.gz UVUHLCDDHHCJFL-OAHLLOKOSA-N 1 3 348.491 2.097 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1scnc1C ZINC001668854140 1356024270 /nfs/dbraw/zinc/02/42/70/1356024270.db2.gz PDKBYLLRZOJRRY-MBVDDHJVSA-N 1 3 336.505 2.088 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1scnc1C ZINC001668854140 1356024272 /nfs/dbraw/zinc/02/42/72/1356024272.db2.gz PDKBYLLRZOJRRY-MBVDDHJVSA-N 1 3 336.505 2.088 10 0 EEAEHO Cc1ccncc1CNC/C=C/CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001669139333 1356104219 /nfs/dbraw/zinc/10/42/19/1356104219.db2.gz NFNPBGHWUWSRCA-NIAAJLDISA-N 1 3 344.503 2.272 10 0 EEAEHO Cc1ncc(CNCCCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)o1 ZINC001670270866 1356308129 /nfs/dbraw/zinc/30/81/29/1356308129.db2.gz ATUAMLRLCIYWCA-HNNXBMFYSA-N 1 3 336.480 2.186 10 0 EEAEHO COCC[NH2+][C@H](C)c1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001672938821 1356619520 /nfs/dbraw/zinc/61/95/20/1356619520.db2.gz XGJBMJDBCPRHTC-OAHLLOKOSA-N 1 3 333.476 2.084 10 0 EEAEHO CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001673402133 1356686152 /nfs/dbraw/zinc/68/61/52/1356686152.db2.gz PERSETPVGQGKTC-ZWKOTPCHSA-N 1 3 341.540 2.358 10 0 EEAEHO CC(C)OCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001673402133 1356686159 /nfs/dbraw/zinc/68/61/59/1356686159.db2.gz PERSETPVGQGKTC-ZWKOTPCHSA-N 1 3 341.540 2.358 10 0 EEAEHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCc3cccs3)C2)CC1 ZINC001690745321 1404936123 /nfs/dbraw/zinc/93/61/23/1404936123.db2.gz CBFLKAITMAIQQW-KRWDZBQOSA-N 1 3 349.544 2.461 10 0 EEAEHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCC[C@@H]2CCOC2)CCCC1 ZINC001698804996 1405077499 /nfs/dbraw/zinc/07/74/99/1405077499.db2.gz CFAPAADYBSGQOO-MRXNPFEDSA-N 1 3 348.491 2.096 10 0 EEAEHO c1ccc(CN2CC[C@H]3OCCN(CC[NH+]4CCCC4)[C@H]3C2)cc1 ZINC000844401583 789069236 /nfs/dbraw/zinc/06/92/36/789069236.db2.gz MXYILVFLIDRXDZ-VQTJNVASSA-N 1 3 329.488 2.058 10 0 EEAEHO CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000923314190 789352885 /nfs/dbraw/zinc/35/28/85/789352885.db2.gz SFIHAOZNCYJWCE-SLUKUZTOSA-N 1 3 328.522 2.195 10 0 EEAEHO CC(C)OCc1cccc(CNC(=O)CN2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923497426 789672220 /nfs/dbraw/zinc/67/22/20/789672220.db2.gz LOYFYJQAQZQXSU-APWZRJJASA-N 1 3 347.503 2.145 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)CC[N@@H+]1C ZINC000913891074 794490668 /nfs/dbraw/zinc/49/06/68/794490668.db2.gz IORNBVHNLDWTMQ-QLFBSQMISA-N 1 3 336.505 2.277 10 0 EEAEHO C[C@@H]1[C@@H](NC(=O)NC[C@H](c2cccs2)N2CCCC2)CC[N@H+]1C ZINC000913891074 794490669 /nfs/dbraw/zinc/49/06/69/794490669.db2.gz IORNBVHNLDWTMQ-QLFBSQMISA-N 1 3 336.505 2.277 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](C)c1cnccn1 ZINC001566562700 1125736752 /nfs/dbraw/zinc/73/67/52/1125736752.db2.gz JSVOMAHVTVAZHO-ULQDDVLXSA-N 1 3 347.507 2.096 10 0 EEAEHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](C)c1cnccn1 ZINC001566562700 1125736759 /nfs/dbraw/zinc/73/67/59/1125736759.db2.gz JSVOMAHVTVAZHO-ULQDDVLXSA-N 1 3 347.507 2.096 10 0 EEAEHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]CCc2ccccc2)C2CC2)C1 ZINC001436814367 1088406957 /nfs/dbraw/zinc/40/69/57/1088406957.db2.gz ZBUSTCAFQOTJHM-LPHOPBHVSA-N 1 3 329.488 2.055 10 0 EEAEHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCCN1C[C@H]1CC(C)(C)CO1 ZINC001437030894 1088850345 /nfs/dbraw/zinc/85/03/45/1088850345.db2.gz BHCCJNOCZHKUKD-DLBZAZTESA-N 1 3 339.524 2.114 10 0 EEAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)NCc1nc(C)cs1 ZINC001437379248 1089625543 /nfs/dbraw/zinc/62/55/43/1089625543.db2.gz GQHODYWZBQSVQZ-DZGCQCFKSA-N 1 3 338.521 2.310 10 0 EEAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)NCc1nc(C)cs1 ZINC001437379248 1089625551 /nfs/dbraw/zinc/62/55/51/1089625551.db2.gz GQHODYWZBQSVQZ-DZGCQCFKSA-N 1 3 338.521 2.310 10 0 EEAEHO COc1cc(C[NH2+][C@H](C)CCNC(=O)CN2CC[C@@H](C)C2)ccc1C ZINC001437404936 1089679766 /nfs/dbraw/zinc/67/97/66/1089679766.db2.gz UFXUTKPSUGUUGL-NVXWUHKLSA-N 1 3 347.503 2.330 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC001437424009 1089711052 /nfs/dbraw/zinc/71/10/52/1089711052.db2.gz AFYBULONVMDVDV-AEFFLSMTSA-N 1 3 332.492 2.249 10 0 EEAEHO COc1cc(CN(C)CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)ccc1C ZINC001437567613 1090047955 /nfs/dbraw/zinc/04/79/55/1090047955.db2.gz XPVSPSJEEDDYGA-IAGOWNOFSA-N 1 3 347.503 2.424 10 0 EEAEHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2cc(C)ns2)C1 ZINC001437943979 1090538168 /nfs/dbraw/zinc/53/81/68/1090538168.db2.gz BVYYABBQHQPPNT-OAHLLOKOSA-N 1 3 338.521 2.122 10 0 EEAEHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2cc(C)ns2)C1 ZINC001437943979 1090538173 /nfs/dbraw/zinc/53/81/73/1090538173.db2.gz BVYYABBQHQPPNT-OAHLLOKOSA-N 1 3 338.521 2.122 10 0 EEAEHO CN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCC(F)(F)F)C1 ZINC001437980191 1090572089 /nfs/dbraw/zinc/57/20/89/1090572089.db2.gz UDJHNWCJJBLJCO-KGLIPLIRSA-N 1 3 335.414 2.203 10 0 EEAEHO CN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCC(F)(F)F)C1 ZINC001437980191 1090572096 /nfs/dbraw/zinc/57/20/96/1090572096.db2.gz UDJHNWCJJBLJCO-KGLIPLIRSA-N 1 3 335.414 2.203 10 0 EEAEHO CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)NCc1cnc(C)nc1 ZINC001438335835 1090810477 /nfs/dbraw/zinc/81/04/77/1090810477.db2.gz ACUBYGADLLZCLG-CRAIPNDOSA-N 1 3 347.507 2.034 10 0 EEAEHO C[C@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]Cc2cccnc2)CCCC1 ZINC001438399425 1090886832 /nfs/dbraw/zinc/88/68/32/1090886832.db2.gz XHNXVQBUPXMFOB-IRXDYDNUSA-N 1 3 344.503 2.473 10 0 EEAEHO Cc1cccnc1CNC[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001438430608 1090929541 /nfs/dbraw/zinc/92/95/41/1090929541.db2.gz BTFWTEUCQNGBOR-YLJYHZDGSA-N 1 3 346.519 2.496 10 0 EEAEHO C[C@@H](C[NH2+]Cc1ccccc1N(C)C)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001438678114 1091172207 /nfs/dbraw/zinc/17/22/07/1091172207.db2.gz DIESQTJHVKEINX-SJORKVTESA-N 1 3 346.519 2.031 10 0 EEAEHO Cc1cc(CNC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)sn1 ZINC001445572168 1091350677 /nfs/dbraw/zinc/35/06/77/1091350677.db2.gz NFLUXWZQHDDXCB-HOCLYGCPSA-N 1 3 338.521 2.166 10 0 EEAEHO Cc1cc(CNC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)sn1 ZINC001445572168 1091350685 /nfs/dbraw/zinc/35/06/85/1091350685.db2.gz NFLUXWZQHDDXCB-HOCLYGCPSA-N 1 3 338.521 2.166 10 0 EEAEHO C[C@@H](CN[C@H]1CCc2c1c(F)ccc2F)NC(=O)C12CC[NH+](CC1)C2 ZINC001445646190 1091435634 /nfs/dbraw/zinc/43/56/34/1091435634.db2.gz JIEYDMMMBJXKFI-LRDDRELGSA-N 1 3 349.425 2.142 10 0 EEAEHO COc1cccc(CN(C)CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)c1C ZINC001438930576 1091610298 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CC(C)C[C@H](CN(C)C)NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000105148660 159297406 /nfs/dbraw/zinc/29/74/06/159297406.db2.gz AUVBZGWZBKDFFS-DLBZAZTESA-N 1 3 326.529 2.382 10 0 EEAEHO CC(C)C[C@H](CN(C)C)NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000105148660 159297407 /nfs/dbraw/zinc/29/74/07/159297407.db2.gz AUVBZGWZBKDFFS-DLBZAZTESA-N 1 3 326.529 2.382 10 0 EEAEHO C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245657371 160247024 /nfs/dbraw/zinc/24/70/24/160247024.db2.gz DWWUYDPVNUZKII-AYWYSENESA-N 1 3 343.515 2.492 10 0 EEAEHO C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245657371 160247025 /nfs/dbraw/zinc/24/70/25/160247025.db2.gz DWWUYDPVNUZKII-AYWYSENESA-N 1 3 343.515 2.492 10 0 EEAEHO C[C@@H](CN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245706469 160249194 /nfs/dbraw/zinc/24/91/94/160249194.db2.gz MPAWOJQYDKOIMT-WJMWBRGCSA-N 1 3 343.515 2.492 10 0 EEAEHO C[C@@H](CN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245706469 160249195 /nfs/dbraw/zinc/24/91/95/160249195.db2.gz MPAWOJQYDKOIMT-WJMWBRGCSA-N 1 3 343.515 2.492 10 0 EEAEHO CCN1CCC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000246015076 160260512 /nfs/dbraw/zinc/26/05/12/160260512.db2.gz JGUMWDDRHGKOBN-OALUTQOASA-N 1 3 329.488 2.499 10 0 EEAEHO CCN1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000246015076 160260513 /nfs/dbraw/zinc/26/05/13/160260513.db2.gz JGUMWDDRHGKOBN-OALUTQOASA-N 1 3 329.488 2.499 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]CCc2cn[nH]c2)CC1 ZINC000353222901 276013217 /nfs/dbraw/zinc/01/32/17/276013217.db2.gz RMPZHRWUCOXVPF-UHFFFAOYSA-N 1 3 327.476 2.274 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC4CCC3CC4)CC2)CC1 ZINC000426312758 277027231 /nfs/dbraw/zinc/02/72/31/277027231.db2.gz KJRRDHJLKGBCFE-LADRWXRNSA-N 1 3 348.535 2.423 10 0 EEAEHO COC[C@@H](CCC[NH3+])NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000422729290 292805174 /nfs/dbraw/zinc/80/51/74/292805174.db2.gz HRMKTRIAKXLITF-GOSISDBHSA-N 1 3 342.443 2.177 10 0 EEAEHO CN(CCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)Cc1ccccc1 ZINC000297538819 294273918 /nfs/dbraw/zinc/27/39/18/294273918.db2.gz PULASNBWUCUZLM-OAQYLSRUSA-N 1 3 344.547 2.220 10 0 EEAEHO CN(CCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1)Cc1ccccc1 ZINC000297538819 294273920 /nfs/dbraw/zinc/27/39/20/294273920.db2.gz PULASNBWUCUZLM-OAQYLSRUSA-N 1 3 344.547 2.220 10 0 EEAEHO C[C@@H]1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)[C@@H](C[NH3+])C1 ZINC000333496843 312156427 /nfs/dbraw/zinc/15/64/27/312156427.db2.gz CXGZBRGFVSKKLR-CRAIPNDOSA-N 1 3 345.491 2.067 10 0 EEAEHO CC(C)C[C@@H]([NH3+])CN1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000414739863 313073859 /nfs/dbraw/zinc/07/38/59/313073859.db2.gz KQUVGGDLJDYODR-GOSISDBHSA-N 1 3 348.535 2.122 10 0 EEAEHO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414771094 313082855 /nfs/dbraw/zinc/08/28/55/313082855.db2.gz ZCABXMKWQVYACM-BEFAXECRSA-N 1 3 345.487 2.202 10 0 EEAEHO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414771094 313082858 /nfs/dbraw/zinc/08/28/58/313082858.db2.gz ZCABXMKWQVYACM-BEFAXECRSA-N 1 3 345.487 2.202 10 0 EEAEHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000417194830 313445094 /nfs/dbraw/zinc/44/50/94/313445094.db2.gz NCVJIJJYGNXHGQ-ROUUACIJSA-N 1 3 334.508 2.174 10 0 EEAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000569575492 319589373 /nfs/dbraw/zinc/58/93/73/319589373.db2.gz BJODVTQKAWWVSA-BPQIPLTHSA-N 1 3 330.476 2.121 10 0 EEAEHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CNCc2ccccc21 ZINC000580831265 324137196 /nfs/dbraw/zinc/13/71/96/324137196.db2.gz LGSKGCWBSDODHR-UYAOXDASSA-N 1 3 337.467 2.163 10 0 EEAEHO CCCN1CCN(c2ccccc2C[NH2+]CCc2cnccn2)CC1 ZINC000341258932 465079440 /nfs/dbraw/zinc/07/94/40/465079440.db2.gz LSCOQXRNFJTSKD-UHFFFAOYSA-N 1 3 339.487 2.341 10 0 EEAEHO O=C(C[NH2+][C@@H](Cc1ccccc1)C1CC1)NC1CCN(C2CC2)CC1 ZINC000347802647 465237001 /nfs/dbraw/zinc/23/70/01/465237001.db2.gz WWBJAJKYMWJPLV-FQEVSTJZSA-N 1 3 341.499 2.340 10 0 EEAEHO C[C@@H](CN(C)C)NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000355363340 465244171 /nfs/dbraw/zinc/24/41/71/465244171.db2.gz JRLCNRYSEXPIIZ-QFBILLFUSA-N 1 3 332.492 2.290 10 0 EEAEHO C[C@@H](CN(C)C)NC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000355363340 465244176 /nfs/dbraw/zinc/24/41/76/465244176.db2.gz JRLCNRYSEXPIIZ-QFBILLFUSA-N 1 3 332.492 2.290 10 0 EEAEHO CCN1CCCC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000111882801 463686315 /nfs/dbraw/zinc/68/63/15/463686315.db2.gz NZRVYNAPIHSBGD-GOSISDBHSA-N 1 3 336.524 2.378 10 0 EEAEHO C[NH2+]CC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237233985 464289127 /nfs/dbraw/zinc/28/91/27/464289127.db2.gz XWRRPGVFGLQTJO-XJKSGUPXSA-N 1 3 343.393 2.424 10 0 EEAEHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000245835118 464516943 /nfs/dbraw/zinc/51/69/43/464516943.db2.gz CJIBJEFCHDPYNY-IEBWSBKVSA-N 1 3 342.487 2.163 10 0 EEAEHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000246528468 464595751 /nfs/dbraw/zinc/59/57/51/464595751.db2.gz XSDMJDVZUFYFRD-RZFLPCETSA-N 1 3 338.540 2.477 10 0 EEAEHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000246528468 464595753 /nfs/dbraw/zinc/59/57/53/464595753.db2.gz XSDMJDVZUFYFRD-RZFLPCETSA-N 1 3 338.540 2.477 10 0 EEAEHO C[C@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCO1 ZINC000183090255 464794182 /nfs/dbraw/zinc/79/41/82/464794182.db2.gz GIVBWRNVLSVDSS-QFBILLFUSA-N 1 3 345.487 2.056 10 0 EEAEHO C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000249691733 464904469 /nfs/dbraw/zinc/90/44/69/464904469.db2.gz UCYCUCFJHKSCDA-PKOBYXMFSA-N 1 3 346.519 2.333 10 0 EEAEHO C[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000249691733 464904475 /nfs/dbraw/zinc/90/44/75/464904475.db2.gz UCYCUCFJHKSCDA-PKOBYXMFSA-N 1 3 346.519 2.333 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000344518999 465638458 /nfs/dbraw/zinc/63/84/58/465638458.db2.gz ROTRIHUYOLDDBM-ZWKOTPCHSA-N 1 3 336.524 2.425 10 0 EEAEHO CN1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000344518999 465638464 /nfs/dbraw/zinc/63/84/64/465638464.db2.gz ROTRIHUYOLDDBM-ZWKOTPCHSA-N 1 3 336.524 2.425 10 0 EEAEHO O=C([C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1)N1CCCC1 ZINC000569128065 468445788 /nfs/dbraw/zinc/44/57/88/468445788.db2.gz AAEONJCCRSTGMC-GOSISDBHSA-N 1 3 327.472 2.167 10 0 EEAEHO CN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)[C@@H]2CCC[C@@H]21 ZINC000361185323 465823338 /nfs/dbraw/zinc/82/33/38/465823338.db2.gz BCQMYHYMBZIQMM-OHFALNGGSA-N 1 3 331.435 2.393 10 0 EEAEHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000417221163 466807302 /nfs/dbraw/zinc/80/73/02/466807302.db2.gz NKIFULHNYQWKAR-YSHGAJCASA-N 1 3 342.487 2.215 10 0 EEAEHO C[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C)Cc1ccccc1 ZINC000417596232 466890664 /nfs/dbraw/zinc/89/06/64/466890664.db2.gz ZIVIUFXGRYSOSO-YJJAZYOBSA-N 1 3 344.503 2.431 10 0 EEAEHO C[C@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1cccc(OCCN(C)C)c1 ZINC000424323060 467028980 /nfs/dbraw/zinc/02/89/80/467028980.db2.gz KJKVKCMGZOXIKD-JKSUJKDBSA-N 1 3 333.476 2.146 10 0 EEAEHO O[C@H](CNC[C@@H]1CCCCN1Cc1ccccc1)C[NH+]1CCCC1 ZINC000379651468 467370165 /nfs/dbraw/zinc/37/01/65/467370165.db2.gz UNSUOZQXYMQTHO-VQTJNVASSA-N 1 3 331.504 2.087 10 0 EEAEHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000420813792 467488635 /nfs/dbraw/zinc/48/86/35/467488635.db2.gz HOBVDEIOKRYBCS-BZSNNMDCSA-N 1 3 330.476 2.167 10 0 EEAEHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000420813792 467488638 /nfs/dbraw/zinc/48/86/38/467488638.db2.gz HOBVDEIOKRYBCS-BZSNNMDCSA-N 1 3 330.476 2.167 10 0 EEAEHO C[C@@H](CNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1)[NH+](C)C ZINC000455436897 467682204 /nfs/dbraw/zinc/68/22/04/467682204.db2.gz VEYTYOVPCCJIHQ-SQWLQELKSA-N 1 3 338.521 2.380 10 0 EEAEHO CN(CCCN(C)Cc1cc(-c2ccccc2)n[nH]1)CC[NH+](C)C ZINC000558423937 468676460 /nfs/dbraw/zinc/67/64/60/468676460.db2.gz USCKQWQNPOBAPJ-UHFFFAOYSA-N 1 3 329.492 2.392 10 0 EEAEHO C[C@]1(CNC(=O)NC[C@@H]2CCC[NH2+]C2)CCCN1Cc1ccccc1 ZINC000570697318 468679680 /nfs/dbraw/zinc/67/96/80/468679680.db2.gz HXYRUNOHBSILLQ-UYAOXDASSA-N 1 3 344.503 2.340 10 0 EEAEHO CN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CN2CCC1CC2 ZINC000571341368 468774267 /nfs/dbraw/zinc/77/42/67/468774267.db2.gz KWBVNOYQNQXIOL-MOPGFXCFSA-N 1 3 327.472 2.061 10 0 EEAEHO CN(C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CN2CCC1CC2 ZINC000571341368 468774272 /nfs/dbraw/zinc/77/42/72/468774272.db2.gz KWBVNOYQNQXIOL-MOPGFXCFSA-N 1 3 327.472 2.061 10 0 EEAEHO CN(C(=O)N[C@H](C[NH3+])C1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000561213152 468876376 /nfs/dbraw/zinc/87/63/76/468876376.db2.gz WOQYDOAKCSTHQP-RTBURBONSA-N 1 3 344.503 2.420 10 0 EEAEHO Cc1cnc(CCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C)c1 ZINC000563061411 469156371 /nfs/dbraw/zinc/15/63/71/469156371.db2.gz IBHRZPMEERKRPB-AZUAARDMSA-N 1 3 330.520 2.199 10 0 EEAEHO CC(C)N1CCN(CCC[NH2+][C@@]2(CO)CCCC(C)(C)C2)CC1 ZINC000625837237 469406089 /nfs/dbraw/zinc/40/60/89/469406089.db2.gz QKNDSHQOBVNLPX-IBGZPJMESA-N 1 3 325.541 2.323 10 0 EEAEHO CN(Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000629605004 469590424 /nfs/dbraw/zinc/59/04/24/469590424.db2.gz XQCKJMGYZBTQGD-VQTJNVASSA-N 1 3 331.504 2.086 10 0 EEAEHO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000629605001 469590672 /nfs/dbraw/zinc/59/06/72/469590672.db2.gz XQCKJMGYZBTQGD-UXHICEINSA-N 1 3 331.504 2.086 10 0 EEAEHO CN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CC1(C)C ZINC000623428773 469654170 /nfs/dbraw/zinc/65/41/70/469654170.db2.gz ZZPUJIWTHHPKKV-HSALFYBXSA-N 1 3 345.531 2.332 10 0 EEAEHO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1[C@H](C)C1CC1 ZINC000617506622 469706853 /nfs/dbraw/zinc/70/68/53/469706853.db2.gz UGJZOMCATOLISW-GOEBONIOSA-N 1 3 349.523 2.164 10 0 EEAEHO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1[C@H](C)C1CC1 ZINC000617506622 469706857 /nfs/dbraw/zinc/70/68/57/469706857.db2.gz UGJZOMCATOLISW-GOEBONIOSA-N 1 3 349.523 2.164 10 0 EEAEHO C[C@@H]1CC[C@H](NC(=O)NC2CCN(CCc3ccccc3)CC2)C[NH2+]1 ZINC000626930923 469759042 /nfs/dbraw/zinc/75/90/42/469759042.db2.gz LNWMLDQJQALZTI-APWZRJJASA-N 1 3 344.503 2.133 10 0 EEAEHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000627133029 469820953 /nfs/dbraw/zinc/82/09/53/469820953.db2.gz JTAWOFBGTZDOJO-SFHVURJKSA-N 1 3 344.503 2.353 10 0 EEAEHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000627167078 469832098 /nfs/dbraw/zinc/83/20/98/469832098.db2.gz VQWFELMTPSTOFZ-YTQUADARSA-N 1 3 344.503 2.433 10 0 EEAEHO C[C@@H]1CC[C@@H](NC(=O)N(CCN(C)C)Cc2cccc(F)c2)C[NH2+]1 ZINC000627197251 469840763 /nfs/dbraw/zinc/84/07/63/469840763.db2.gz YHRXREGNBDEMEM-RHSMWYFYSA-N 1 3 336.455 2.039 10 0 EEAEHO COc1ccccc1N1CCC([NH2+]CCCN(C)CCN(C)C)CC1 ZINC000631179685 470087880 /nfs/dbraw/zinc/08/78/80/470087880.db2.gz FURMPCCTLPBTGO-UHFFFAOYSA-N 1 3 348.535 2.137 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)Cc2ccncc2)CC[N@@H+]1C ZINC000633105694 470352408 /nfs/dbraw/zinc/35/24/08/470352408.db2.gz DWKLXDAEXZHQLR-ZWKOTPCHSA-N 1 3 332.492 2.092 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)Cc2ccncc2)CC[N@H+]1C ZINC000633105694 470352413 /nfs/dbraw/zinc/35/24/13/470352413.db2.gz DWKLXDAEXZHQLR-ZWKOTPCHSA-N 1 3 332.492 2.092 10 0 EEAEHO C[NH+](C)CC1(CNC(=O)N2CCc3ccccc3[C@H]2CN)CCCC1 ZINC000646191916 470560383 /nfs/dbraw/zinc/56/03/83/470560383.db2.gz FZALAIWVCDTQRZ-GOSISDBHSA-N 1 3 344.503 2.376 10 0 EEAEHO O[C@H](C[NH2+]CCCCN1CCN(c2ccccc2)CC1)C(F)(F)F ZINC000644524963 470972746 /nfs/dbraw/zinc/97/27/46/470972746.db2.gz RFKVTISILJXXKM-MRXNPFEDSA-N 1 3 345.409 2.102 10 0 EEAEHO C[NH+](C)CCOc1ccc(CN2CCC(Cn3cnnc3)CC2)cc1 ZINC000651955376 471182884 /nfs/dbraw/zinc/18/28/84/471182884.db2.gz JEGTZNOMKKWOOV-UHFFFAOYSA-N 1 3 343.475 2.131 10 0 EEAEHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000641247871 471252056 /nfs/dbraw/zinc/25/20/56/471252056.db2.gz FKQGWTVNKFOXEJ-HKUYNNGSSA-N 1 3 344.503 2.210 10 0 EEAEHO CCN(C(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H]1CC[N@H+](CC)C1 ZINC000663416401 471365836 /nfs/dbraw/zinc/36/58/36/471365836.db2.gz PBUBVWFQBFJPJO-ROUUACIJSA-N 1 3 332.492 2.415 10 0 EEAEHO CCN(C(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H]1CC[N@@H+](CC)C1 ZINC000663416401 471365840 /nfs/dbraw/zinc/36/58/40/471365840.db2.gz PBUBVWFQBFJPJO-ROUUACIJSA-N 1 3 332.492 2.415 10 0 EEAEHO CCc1cnccc1[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664583834 471802170 /nfs/dbraw/zinc/80/21/70/471802170.db2.gz ZMNYZLZUMLAVSX-HOTGVXAUSA-N 1 3 349.523 2.276 10 0 EEAEHO CCc1cnccc1[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664583834 471802173 /nfs/dbraw/zinc/80/21/73/471802173.db2.gz ZMNYZLZUMLAVSX-HOTGVXAUSA-N 1 3 349.523 2.276 10 0 EEAEHO CO[C@H](CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000659973457 471810243 /nfs/dbraw/zinc/81/02/43/471810243.db2.gz PZJSWNQZDVFJPA-VAMGGRTRSA-N 1 3 332.488 2.492 10 0 EEAEHO CO[C@H](CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000659973457 471810248 /nfs/dbraw/zinc/81/02/48/471810248.db2.gz PZJSWNQZDVFJPA-VAMGGRTRSA-N 1 3 332.488 2.492 10 0 EEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)[C@H]1CCCO1 ZINC000667811439 471917047 /nfs/dbraw/zinc/91/70/47/471917047.db2.gz MGCQDQHDIQBAJU-KZNAEPCWSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)[C@H]1CCCO1 ZINC000667811439 471917050 /nfs/dbraw/zinc/91/70/50/471917050.db2.gz MGCQDQHDIQBAJU-KZNAEPCWSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@@H](CNC(=O)N(C)CC1CN(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000660324069 471944582 /nfs/dbraw/zinc/94/45/82/471944582.db2.gz YMCUZTVKOMDMIE-IBGZPJMESA-N 1 3 344.503 2.026 10 0 EEAEHO CC[C@@H](CNC(=O)N(C)CC1CN(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000660324069 471944586 /nfs/dbraw/zinc/94/45/86/471944586.db2.gz YMCUZTVKOMDMIE-IBGZPJMESA-N 1 3 344.503 2.026 10 0 EEAEHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000665364241 472021628 /nfs/dbraw/zinc/02/16/28/472021628.db2.gz MQIDSDYTVIRIKR-DLBZAZTESA-N 1 3 336.524 2.233 10 0 EEAEHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000665364241 472021629 /nfs/dbraw/zinc/02/16/29/472021629.db2.gz MQIDSDYTVIRIKR-DLBZAZTESA-N 1 3 336.524 2.233 10 0 EEAEHO Cc1ccc2c(c1)N(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC2 ZINC000665640406 472120360 /nfs/dbraw/zinc/12/03/60/472120360.db2.gz UJAXYGLMEQYNDE-INIZCTEOSA-N 1 3 332.492 2.339 10 0 EEAEHO Cc1ccc2c(c1)N(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC2 ZINC000665640406 472120363 /nfs/dbraw/zinc/12/03/63/472120363.db2.gz UJAXYGLMEQYNDE-INIZCTEOSA-N 1 3 332.492 2.339 10 0 EEAEHO COc1ccc([C@@H]2[C@H](CNC(=O)[C@H]3CCC[C@@H]3[NH3+])CCCN2C)cc1 ZINC000299740140 490738520 /nfs/dbraw/zinc/73/85/20/490738520.db2.gz WFOMZQSMSVUEGU-DSLXNQLJSA-N 1 3 345.487 2.322 10 0 EEAEHO CCN1CCC[C@H]1CNC(=S)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000741492255 578120293 /nfs/dbraw/zinc/12/02/93/578120293.db2.gz QKNTUVQCUHKGCT-JYJNAYRXSA-N 1 3 326.554 2.007 10 0 EEAEHO CCN1CCC[C@H]1CNC(=S)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000741492255 578120294 /nfs/dbraw/zinc/12/02/94/578120294.db2.gz QKNTUVQCUHKGCT-JYJNAYRXSA-N 1 3 326.554 2.007 10 0 EEAEHO OC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@@H]1CCCOC1 ZINC000894994761 683455716 /nfs/dbraw/zinc/45/57/16/683455716.db2.gz VAAYEMAGOXFZIN-SSTJLMRISA-N 1 3 344.499 2.417 10 0 EEAEHO C[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)N1CCCCCC1 ZINC001485621045 1191859881 /nfs/dbraw/zinc/85/98/81/1191859881.db2.gz RNZBJBSGDACQFT-DSLXNQLJSA-N 1 3 333.520 2.345 10 0 EEAEHO C[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21)N1CCCCCC1 ZINC001485621045 1191859882 /nfs/dbraw/zinc/85/98/82/1191859882.db2.gz RNZBJBSGDACQFT-DSLXNQLJSA-N 1 3 333.520 2.345 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@]2(C)C[N@@H+](CC[C@H](C)F)C[C@]2(C)C1 ZINC001485669409 1191888751 /nfs/dbraw/zinc/88/87/51/1191888751.db2.gz GGCIMOAWOGNCGV-RYQLBKOJSA-N 1 3 327.488 2.245 10 0 EEAEHO CC(C)N(C)CC(=O)N1C[C@]2(C)C[N@H+](CC[C@H](C)F)C[C@]2(C)C1 ZINC001485669409 1191888753 /nfs/dbraw/zinc/88/87/53/1191888753.db2.gz GGCIMOAWOGNCGV-RYQLBKOJSA-N 1 3 327.488 2.245 10 0 EEAEHO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN(C)C3CCC3)C2)cc1 ZINC001485686488 1191897109 /nfs/dbraw/zinc/89/71/09/1191897109.db2.gz VTBZXMOCTURMHO-QAQDUYKDSA-N 1 3 345.487 2.164 10 0 EEAEHO Cc1cncc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001485696901 1191903545 /nfs/dbraw/zinc/90/35/45/1191903545.db2.gz ZWARTPMFZJKVMA-SAABIXHNSA-N 1 3 346.519 2.352 10 0 EEAEHO Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001266515307 1176709961 /nfs/dbraw/zinc/70/99/61/1176709961.db2.gz UDJVNWVQYRGCNP-OALUTQOASA-N 1 3 329.488 2.212 10 0 EEAEHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001266565958 1176856606 /nfs/dbraw/zinc/85/66/06/1176856606.db2.gz WFZRALOIMNSHGZ-SFHVURJKSA-N 1 3 333.451 2.045 10 0 EEAEHO CC(C)OCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267107421 1178259693 /nfs/dbraw/zinc/25/96/93/1178259693.db2.gz GMMBISPCEGEYHI-ROUUACIJSA-N 1 3 341.540 2.311 10 0 EEAEHO CC(C)OCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267107421 1178259702 /nfs/dbraw/zinc/25/97/02/1178259702.db2.gz GMMBISPCEGEYHI-ROUUACIJSA-N 1 3 341.540 2.311 10 0 EEAEHO CO[C@@H](C[NH2+]CCN(C)C(=O)CN1CCC(C)CC1)c1ccccc1 ZINC001267444764 1179020132 /nfs/dbraw/zinc/02/01/32/1179020132.db2.gz NSEJRTYFDYTHKT-IBGZPJMESA-N 1 3 347.503 2.154 10 0 EEAEHO C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@H]1CCC(F)(F)C1 ZINC001481386780 1181176121 /nfs/dbraw/zinc/17/61/21/1181176121.db2.gz YUAGDKXPPLRFIQ-HRCADAONSA-N 1 3 343.462 2.439 10 0 EEAEHO C[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1CNCCF ZINC001268196649 1181993683 /nfs/dbraw/zinc/99/36/83/1181993683.db2.gz STONOSVQWZKYCW-MAUKXSAKSA-N 1 3 339.499 2.295 10 0 EEAEHO C[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1CNCCF ZINC001268196653 1181993966 /nfs/dbraw/zinc/99/39/66/1181993966.db2.gz STONOSVQWZKYCW-YJBOKZPZSA-N 1 3 339.499 2.295 10 0 EEAEHO C[C@H]1CCN(CC(=O)NCC2C[NH+](CC[C@@H]3CCCC3(F)F)C2)C1 ZINC001481644291 1182042649 /nfs/dbraw/zinc/04/26/49/1182042649.db2.gz FMCYFAMKZROKSS-HOCLYGCPSA-N 1 3 343.462 2.202 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ncccc1C ZINC001268425456 1182591970 /nfs/dbraw/zinc/59/19/70/1182591970.db2.gz GBBMYNLMLPNAHF-AEFFLSMTSA-N 1 3 332.492 2.249 10 0 EEAEHO Cc1ncc(C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N2CCCCC2)o1 ZINC001482100627 1183329102 /nfs/dbraw/zinc/32/91/02/1183329102.db2.gz GTLIAYHMFHLJHL-CQSZACIVSA-N 1 3 336.480 2.089 10 0 EEAEHO Cc1ncsc1C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001482131703 1183381487 /nfs/dbraw/zinc/38/14/87/1183381487.db2.gz XMPWKSGVKBKVJE-CYBMUJFWSA-N 1 3 338.521 2.168 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCC1CCOCC1 ZINC001268716723 1183636140 /nfs/dbraw/zinc/63/61/40/1183636140.db2.gz JJPDQNVNNUAZTQ-WMZOPIPTSA-N 1 3 339.524 2.162 10 0 EEAEHO CC(C)N1CCCC[C@H]1C(=O)NCC1C[NH+](CCCCCF)C1 ZINC001268883313 1183786091 /nfs/dbraw/zinc/78/60/91/1183786091.db2.gz HGOKEPYALJDWEV-KRWDZBQOSA-N 1 3 327.488 2.437 10 0 EEAEHO CN(CCCNCc1c(F)cccc1F)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268915911 1183824648 /nfs/dbraw/zinc/82/46/48/1183824648.db2.gz SDZOXPSPPJLQOA-CQSZACIVSA-N 1 3 339.430 2.245 10 0 EEAEHO CN(CCCNCc1c(F)cccc1F)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268915911 1183824653 /nfs/dbraw/zinc/82/46/53/1183824653.db2.gz SDZOXPSPPJLQOA-CQSZACIVSA-N 1 3 339.430 2.245 10 0 EEAEHO C[NH+](C)CCCC(=O)NCC1(NCc2cncc(F)c2)CCCC1 ZINC001482227829 1184346577 /nfs/dbraw/zinc/34/65/77/1184346577.db2.gz DSUFACKMWDAYPA-UHFFFAOYSA-N 1 3 336.455 2.081 10 0 EEAEHO CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001269766226 1184602911 /nfs/dbraw/zinc/60/29/11/1184602911.db2.gz UAYUSTIJOFWFDW-MAUKXSAKSA-N 1 3 327.488 2.437 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCc2cc(C)ns2)CC[N@@H+]1C ZINC001482288935 1185097809 /nfs/dbraw/zinc/09/78/09/1185097809.db2.gz PRSHGQHOEAQLTE-CWRNSKLLSA-N 1 3 338.521 2.118 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCc2cc(C)ns2)CC[N@H+]1C ZINC001482288935 1185097812 /nfs/dbraw/zinc/09/78/12/1185097812.db2.gz PRSHGQHOEAQLTE-CWRNSKLLSA-N 1 3 338.521 2.118 10 0 EEAEHO Cc1nn(C(C)C)cc1CNC[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482323130 1185357272 /nfs/dbraw/zinc/35/72/72/1185357272.db2.gz LDAVVNFSBYOSPN-HNNXBMFYSA-N 1 3 349.523 2.051 10 0 EEAEHO Cc1ncc(CNCC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001482449513 1185819180 /nfs/dbraw/zinc/81/91/80/1185819180.db2.gz PDRQXUPWHZNUHG-UWWQBHOKSA-N 1 3 348.491 2.184 10 0 EEAEHO Cc1ncc(CNCC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001482449513 1185819183 /nfs/dbraw/zinc/81/91/83/1185819183.db2.gz PDRQXUPWHZNUHG-UWWQBHOKSA-N 1 3 348.491 2.184 10 0 EEAEHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNCC=C(Cl)Cl ZINC001271738255 1186445821 /nfs/dbraw/zinc/44/58/21/1186445821.db2.gz GHFNLYYYNUKWOZ-OLZOCXBDSA-N 1 3 336.307 2.474 10 0 EEAEHO CCN(CCNCc1cccnc1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482924830 1187844692 /nfs/dbraw/zinc/84/46/92/1187844692.db2.gz UURWIWRZRZOIIZ-UHFFFAOYSA-N 1 3 332.492 2.284 10 0 EEAEHO C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]Cc1cc2ccccc2o1 ZINC001485855754 1193617573 /nfs/dbraw/zinc/61/75/73/1193617573.db2.gz NHZKMQAUEXLERW-YOEHRIQHSA-N 1 3 329.444 2.464 10 0 EEAEHO COc1ccc(CN(C)[C@@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1C ZINC001409661075 1190158527 /nfs/dbraw/zinc/15/85/27/1190158527.db2.gz ZLPQVSNXVAXLRH-FUHWJXTLSA-N 1 3 347.503 2.282 10 0 EEAEHO COc1ccc(CN(C)[C@@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC001409661075 1190158529 /nfs/dbraw/zinc/15/85/29/1190158529.db2.gz ZLPQVSNXVAXLRH-FUHWJXTLSA-N 1 3 347.503 2.282 10 0 EEAEHO CCCN(C)CC(=O)NC1(C[NH2+]CC2CCOCC2)CCCCC1 ZINC001409801386 1190633164 /nfs/dbraw/zinc/63/31/64/1190633164.db2.gz LMOLVQCZSZAVHU-UHFFFAOYSA-N 1 3 339.524 2.164 10 0 EEAEHO O=C(CN1CCCC1)N1CC[C@@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001272641514 1190948575 /nfs/dbraw/zinc/94/85/75/1190948575.db2.gz JGFMLKQSOWVIMA-MRXNPFEDSA-N 1 3 333.451 2.250 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N(C)CCCN(C)CCC(F)(F)F)CC[N@@H+]1C ZINC001484754043 1191509491 /nfs/dbraw/zinc/50/94/91/1191509491.db2.gz CTERPCGBXIUHDD-KBPBESRZSA-N 1 3 337.430 2.449 10 0 EEAEHO C[C@H]1C[C@@H](C(=O)N(C)CCCN(C)CCC(F)(F)F)CC[N@H+]1C ZINC001484754043 1191509493 /nfs/dbraw/zinc/50/94/93/1191509493.db2.gz CTERPCGBXIUHDD-KBPBESRZSA-N 1 3 337.430 2.449 10 0 EEAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H](C)[NH2+]CCCCC(F)(F)F ZINC001485218563 1191690009 /nfs/dbraw/zinc/69/00/09/1191690009.db2.gz VMCPZDVNWYOWLW-WDEREUQCSA-N 1 3 334.386 2.476 10 0 EEAEHO Cc1cncc(CN2CC[C@@]3(NC(=O)CCC[NH+](C)C)CCC[C@H]23)c1 ZINC001486151771 1193702539 /nfs/dbraw/zinc/70/25/39/1193702539.db2.gz YDFMOLNJOLMTRB-ICSRJNTNSA-N 1 3 344.503 2.345 10 0 EEAEHO C[C@H](CCNCc1cc(F)ccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001272995040 1194303157 /nfs/dbraw/zinc/30/31/57/1194303157.db2.gz VAFOHHJMSNVNGH-CYBMUJFWSA-N 1 3 339.430 2.291 10 0 EEAEHO Cc1ccnc(CNCCCN(C)CC[NH+](C)C)c1Br ZINC000865637933 1198309550 /nfs/dbraw/zinc/30/95/50/1198309550.db2.gz QRNRROTYBZTSBS-UHFFFAOYSA-N 1 3 343.313 2.126 10 0 EEAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2F)[C@H]1C ZINC001410844696 1198494387 /nfs/dbraw/zinc/49/43/87/1198494387.db2.gz JKTQHYWZWCPXHF-CRAIPNDOSA-N 1 3 335.467 2.287 10 0 EEAEHO CCN(CC[NH2+]Cc1ccc2c(c1)COC2)C(=O)C1(N(C)C)CCC1 ZINC001273420822 1198772462 /nfs/dbraw/zinc/77/24/62/1198772462.db2.gz OQIULVVFEVSWDL-UHFFFAOYSA-N 1 3 345.487 2.139 10 0 EEAEHO CCOC(=O)CC(C)(C)C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000813338043 1198969108 /nfs/dbraw/zinc/96/91/08/1198969108.db2.gz XUOFCEKQXGAHKF-OAHLLOKOSA-N 1 3 326.481 2.056 10 0 EEAEHO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cccc(CN(C)C)c1 ZINC000869765974 1200264358 /nfs/dbraw/zinc/26/43/58/1200264358.db2.gz GZWIAKUHOARQEH-UHFFFAOYSA-N 1 3 347.503 2.179 10 0 EEAEHO C[C@@H]1CCCCN1CCNC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870866307 1200919678 /nfs/dbraw/zinc/91/96/78/1200919678.db2.gz RIOFHULSFLHYEI-CYBMUJFWSA-N 1 3 336.505 2.214 10 0 EEAEHO C[NH+](C)CC1(C(=O)NC/C=C\CNCc2cccc(Cl)c2)CC1 ZINC001274318708 1204996279 /nfs/dbraw/zinc/99/62/79/1204996279.db2.gz SKFXJCOWYVRNKO-ARJAWSKDSA-N 1 3 335.879 2.444 10 0 EEAEHO C[NH+]1CCC(C(=O)NC/C=C/CNCc2ccc(F)c(F)c2)CC1 ZINC001274330267 1204997981 /nfs/dbraw/zinc/99/79/81/1204997981.db2.gz AQLONPDQBAAGEL-NSCUHMNNSA-N 1 3 337.414 2.069 10 0 EEAEHO CCCN(C(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[C@H]1CCN(C)C1 ZINC000925915421 1206167611 /nfs/dbraw/zinc/16/76/11/1206167611.db2.gz LYASJXJBOVFCQU-ZWKOTPCHSA-N 1 3 347.507 2.200 10 0 EEAEHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000925998685 1206180336 /nfs/dbraw/zinc/18/03/36/1206180336.db2.gz VNXNWYMESZXSDM-RHSMWYFYSA-N 1 3 348.516 2.007 10 0 EEAEHO CN(C)[C@H](CNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)Cc1ccccc1 ZINC000900013961 1233974481 /nfs/dbraw/zinc/97/44/81/1233974481.db2.gz SUZQNTZDJGPFLO-CEXWTWQISA-N 1 3 329.488 2.292 10 0 EEAEHO CN(C)[C@H](CNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)Cc1ccccc1 ZINC000900013961 1233974486 /nfs/dbraw/zinc/97/44/86/1233974486.db2.gz SUZQNTZDJGPFLO-CEXWTWQISA-N 1 3 329.488 2.292 10 0 EEAEHO CC(C)N1CCN(c2cccc(NC(=O)C34CC[NH+](CC3)C4)c2)CC1 ZINC000901280533 1235471942 /nfs/dbraw/zinc/47/19/42/1235471942.db2.gz AXKKBYRALGJIRK-UHFFFAOYSA-N 1 3 342.487 2.251 10 0 EEAEHO C[C@@H]1CN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H]1CC[NH3+] ZINC000903494511 1240664046 /nfs/dbraw/zinc/66/40/46/1240664046.db2.gz HQDSIVAFASWMIK-VXGBXAGGSA-N 1 3 345.365 2.440 10 0 EEAEHO CCCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000903897425 1242382520 /nfs/dbraw/zinc/38/25/20/1242382520.db2.gz YYFCGBFIRSDDQZ-SPUZQDLCSA-N 1 3 347.507 2.228 10 0 EEAEHO Cc1c(C[C@@H](C[NH3+])CN[C@@H](c2ccccc2)C(C)(C)CO)cnn1C ZINC000903927496 1242529461 /nfs/dbraw/zinc/52/94/61/1242529461.db2.gz SGBOGBQIRDTCHA-LPHOPBHVSA-N 1 3 344.503 2.195 10 0 EEAEHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](CNC/C(Cl)=C/Cl)C2)C1 ZINC001491183635 1258748132 /nfs/dbraw/zinc/74/81/32/1258748132.db2.gz FLNDTKPTEPLVHS-PTRWATSXSA-N 1 3 334.291 2.085 10 0 EEAEHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](CNC/C(Cl)=C/Cl)C2)C1 ZINC001491183635 1258748136 /nfs/dbraw/zinc/74/81/36/1258748136.db2.gz FLNDTKPTEPLVHS-PTRWATSXSA-N 1 3 334.291 2.085 10 0 EEAEHO Cc1ncsc1C[NH2+]C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001491190032 1258755623 /nfs/dbraw/zinc/75/56/23/1258755623.db2.gz HHRBFUCNWIIMPV-OAHLLOKOSA-N 1 3 338.521 2.120 10 0 EEAEHO CCCCOCC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001489238448 1290487304 /nfs/dbraw/zinc/48/73/04/1290487304.db2.gz MADNRAPYJMUNTN-INIZCTEOSA-N 1 3 336.480 2.130 10 0 EEAEHO CCOC(=O)C1=CC[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000863544535 1296328411 /nfs/dbraw/zinc/32/84/11/1296328411.db2.gz WWFZKZRLHMBQKM-XAUMDUMWSA-N 1 3 342.439 2.484 10 0 EEAEHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CCc3ccccc3F)C2)CCC1 ZINC001276995738 1300731696 /nfs/dbraw/zinc/73/16/96/1300731696.db2.gz NXUZEEWRRCGAJB-JCNLHEQBSA-N 1 3 347.478 2.337 10 0 EEAEHO CC[NH2+]CC1CCN(C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000841848446 1315621919 /nfs/dbraw/zinc/62/19/19/1315621919.db2.gz MUCOEBIVAORKSG-HNNXBMFYSA-N 1 3 338.883 2.281 10 0 EEAEHO Cc1nn(C)c2nc(Cl)c(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cc12 ZINC000843127352 1315850077 /nfs/dbraw/zinc/85/00/77/1315850077.db2.gz QFCXBYGFSPFPCE-BETUJISGSA-N 1 3 333.867 2.362 10 0 EEAEHO CC(C)OCCCN1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001265227480 1322997108 /nfs/dbraw/zinc/99/71/08/1322997108.db2.gz XCLWWLNGZLOBPV-SFHVURJKSA-N 1 3 339.524 2.114 10 0 EEAEHO CCCCOCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001265386749 1323113408 /nfs/dbraw/zinc/11/34/08/1323113408.db2.gz MEDQVUJGHTZQGC-MSOLQXFVSA-N 1 3 339.524 2.068 10 0 EEAEHO CCCCOCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001265386749 1323113412 /nfs/dbraw/zinc/11/34/12/1323113412.db2.gz MEDQVUJGHTZQGC-MSOLQXFVSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001265596879 1323253753 /nfs/dbraw/zinc/25/37/53/1323253753.db2.gz LXJUBLHQAKXVIS-SFHVURJKSA-N 1 3 347.503 2.227 10 0 EEAEHO CCOCC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001265596879 1323253755 /nfs/dbraw/zinc/25/37/55/1323253755.db2.gz LXJUBLHQAKXVIS-SFHVURJKSA-N 1 3 347.503 2.227 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+](CCCOC)C[C@H]21)N(CC)CC ZINC001279624855 1323964353 /nfs/dbraw/zinc/96/43/53/1323964353.db2.gz SSGSONPCFPTOFL-OKZBNKHCSA-N 1 3 339.524 2.066 10 0 EEAEHO CC[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](CCCOC)C[C@H]21)N(CC)CC ZINC001279624855 1323964354 /nfs/dbraw/zinc/96/43/54/1323964354.db2.gz SSGSONPCFPTOFL-OKZBNKHCSA-N 1 3 339.524 2.066 10 0 EEAEHO Cc1ncoc1CNCC[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001280085022 1324080171 /nfs/dbraw/zinc/08/01/71/1324080171.db2.gz XDXMRRYJWFCKHI-DLBZAZTESA-N 1 3 348.491 2.186 10 0 EEAEHO Cc1ncoc1CNCC[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001280085022 1324080177 /nfs/dbraw/zinc/08/01/77/1324080177.db2.gz XDXMRRYJWFCKHI-DLBZAZTESA-N 1 3 348.491 2.186 10 0 EEAEHO CC(C)=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001284520232 1326595965 /nfs/dbraw/zinc/59/59/65/1326595965.db2.gz PUUZHSNMHREWOX-LJQANCHMSA-N 1 3 347.503 2.079 10 0 EEAEHO CC(C)=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001284520232 1326595967 /nfs/dbraw/zinc/59/59/67/1326595967.db2.gz PUUZHSNMHREWOX-LJQANCHMSA-N 1 3 347.503 2.079 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2Cl)C1 ZINC001491790202 1330256821 /nfs/dbraw/zinc/25/68/21/1330256821.db2.gz BFZBVOUAKYVBRX-YJBOKZPZSA-N 1 3 349.906 2.415 10 0 EEAEHO CN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001491827281 1330265953 /nfs/dbraw/zinc/26/59/53/1330265953.db2.gz YICNOIJOXYRJLZ-IBYDIOTISA-N 1 3 334.291 2.228 10 0 EEAEHO Cc1cnc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CN(C)C(C)C)C2)s1 ZINC001491896166 1330294092 /nfs/dbraw/zinc/29/40/92/1330294092.db2.gz KVPZLRHBJIPQMR-LSDHHAIUSA-N 1 3 338.521 2.309 10 0 EEAEHO C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1c(F)cccc1F ZINC001492110955 1330479511 /nfs/dbraw/zinc/47/95/11/1330479511.db2.gz XBVSLBKQEBWUPW-ZIAGYGMSSA-N 1 3 339.430 2.291 10 0 EEAEHO C[C@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1c(F)cccc1F ZINC001492110955 1330479515 /nfs/dbraw/zinc/47/95/15/1330479515.db2.gz XBVSLBKQEBWUPW-ZIAGYGMSSA-N 1 3 339.430 2.291 10 0 EEAEHO CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001316756582 1331874684 /nfs/dbraw/zinc/87/46/84/1331874684.db2.gz GGHURDTZPJWOPJ-KSULIHCOSA-N 1 3 333.520 2.465 10 0 EEAEHO CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001316756582 1331874687 /nfs/dbraw/zinc/87/46/87/1331874687.db2.gz GGHURDTZPJWOPJ-KSULIHCOSA-N 1 3 333.520 2.465 10 0 EEAEHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2F)C1)N(C)C ZINC001317345095 1332188177 /nfs/dbraw/zinc/18/81/77/1332188177.db2.gz WSDDSFSREKIWSW-MAUKXSAKSA-N 1 3 335.467 2.147 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2c(C)nsc2C)CC[N@@H+]1C ZINC001317588809 1332311949 /nfs/dbraw/zinc/31/19/49/1332311949.db2.gz KYXFOZTYERJJLG-GOEBONIOSA-N 1 3 338.521 2.038 10 0 EEAEHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2c(C)nsc2C)CC[N@H+]1C ZINC001317588809 1332311953 /nfs/dbraw/zinc/31/19/53/1332311953.db2.gz KYXFOZTYERJJLG-GOEBONIOSA-N 1 3 338.521 2.038 10 0 EEAEHO CN1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]Cc2ccccc2)CC1 ZINC001318909623 1332622395 /nfs/dbraw/zinc/62/23/95/1332622395.db2.gz ZBOXLIZOKOJGSN-LJQANCHMSA-N 1 3 329.488 2.499 10 0 EEAEHO CCn1ccc(CNCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001320570134 1332912724 /nfs/dbraw/zinc/91/27/24/1332912724.db2.gz NHWSFHIKCSMJGI-AEFFLSMTSA-N 1 3 349.523 2.150 10 0 EEAEHO CCn1ccc(CNCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)n1 ZINC001320570134 1332912726 /nfs/dbraw/zinc/91/27/26/1332912726.db2.gz NHWSFHIKCSMJGI-AEFFLSMTSA-N 1 3 349.523 2.150 10 0 EEAEHO Cc1cc(C)cc(OCC[NH2+]C/C=C/CNC(=O)[C@@H]2CCCN2C)c1 ZINC001320997757 1332993863 /nfs/dbraw/zinc/99/38/63/1332993863.db2.gz KWKSKIXEXSVVMT-PXPVJAHISA-N 1 3 345.487 2.038 10 0 EEAEHO CC(C)COCCN1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001324614217 1333722311 /nfs/dbraw/zinc/72/23/11/1333722311.db2.gz FQIYVOIALBDVPR-IEBWSBKVSA-N 1 3 339.524 2.112 10 0 EEAEHO CC(C)COCCN1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001324614217 1333722313 /nfs/dbraw/zinc/72/23/13/1333722313.db2.gz FQIYVOIALBDVPR-IEBWSBKVSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1noc(C)c1C[NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001326290492 1334061062 /nfs/dbraw/zinc/06/10/62/1334061062.db2.gz VHGFVFJCYVJELR-INIZCTEOSA-N 1 3 348.491 2.104 10 0 EEAEHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCc1ccnc(Cl)c1 ZINC001327903588 1334361777 /nfs/dbraw/zinc/36/17/77/1334361777.db2.gz OTDCVIHMLYSHHN-HIFRSBDPSA-N 1 3 338.883 2.013 10 0 EEAEHO C[C@@H](CNC(=O)CC[NH+](C)C)NCc1csc(Br)c1 ZINC001480530376 1338306446 /nfs/dbraw/zinc/30/64/46/1338306446.db2.gz FSQDAHCRZGBFNO-JTQLQIEISA-N 1 3 348.310 2.057 10 0 EEAEHO CN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CC[C@H]2CCCCO2)CC1 ZINC001440607144 1342077229 /nfs/dbraw/zinc/07/72/29/1342077229.db2.gz OWGDGNAYIDJIBR-SJORKVTESA-N 1 3 337.508 2.011 10 0 EEAEHO C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1N(Cc1cccc(F)c1)CC2 ZINC001449016046 1342085019 /nfs/dbraw/zinc/08/50/19/1342085019.db2.gz QVCQADMQMYOKLY-MJGOQNOKSA-N 1 3 333.451 2.391 10 0 EEAEHO CCOCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001502546068 1342208516 /nfs/dbraw/zinc/20/85/16/1342208516.db2.gz NXKVEDIQQIDGGK-HKUYNNGSSA-N 1 3 339.524 2.068 10 0 EEAEHO CCOCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001502546068 1342208519 /nfs/dbraw/zinc/20/85/19/1342208519.db2.gz NXKVEDIQQIDGGK-HKUYNNGSSA-N 1 3 339.524 2.068 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@H](C)C1CN(CCCF)C1)[NH+]1CCCCC1 ZINC001506679757 1342311639 /nfs/dbraw/zinc/31/16/39/1342311639.db2.gz PZUNKAGOJIDVAW-WBVHZDCISA-N 1 3 327.488 2.293 10 0 EEAEHO CC(C)[C@@H](C(=O)N[C@@H](C)C1CN(CCCF)C1)[NH+]1CCCCC1 ZINC001506679756 1342311981 /nfs/dbraw/zinc/31/19/81/1342311981.db2.gz PZUNKAGOJIDVAW-RDJZCZTQSA-N 1 3 327.488 2.293 10 0 EEAEHO C[C@@H]1[C@H](C(=O)N(C)CCNCc2ccccc2OC2CC2)CC[N@@H+]1C ZINC001567497106 1342769688 /nfs/dbraw/zinc/76/96/88/1342769688.db2.gz KUTIGAJBXJDNJG-CRAIPNDOSA-N 1 3 345.487 2.116 10 0 EEAEHO C[C@@H]1[C@H](C(=O)N(C)CCNCc2ccccc2OC2CC2)CC[N@H+]1C ZINC001567497106 1342769692 /nfs/dbraw/zinc/76/96/92/1342769692.db2.gz KUTIGAJBXJDNJG-CRAIPNDOSA-N 1 3 345.487 2.116 10 0 EEAEHO CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001569687138 1342924027 /nfs/dbraw/zinc/92/40/27/1342924027.db2.gz ODWCWMXYBPSPCX-PKOBYXMFSA-N 1 3 339.524 2.114 10 0 EEAEHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CNCC=C(Cl)Cl)C(C)(C)C)C1 ZINC001677306171 1357310420 /nfs/dbraw/zinc/31/04/20/1357310420.db2.gz CMRNOBINIMEFPL-NEPJUHHUSA-N 1 3 336.307 2.378 10 0 EEAEHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CNCC=C(Cl)Cl)C(C)(C)C)C1 ZINC001677306171 1357310424 /nfs/dbraw/zinc/31/04/24/1357310424.db2.gz CMRNOBINIMEFPL-NEPJUHHUSA-N 1 3 336.307 2.378 10 0 EEAEHO CN(CC(=O)N(C)C1CC([NH2+]CCOC2CCC2)C1)CC(C)(C)C ZINC001677426782 1357330654 /nfs/dbraw/zinc/33/06/54/1357330654.db2.gz AEVKFPFKLLXYFB-UHFFFAOYSA-N 1 3 339.524 2.112 10 0 EEAEHO Cc1ncccc1CN(C)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001660352247 1354446274 /nfs/dbraw/zinc/44/62/74/1354446274.db2.gz NYRKSQKWGHCAAK-UHFFFAOYSA-N 1 3 346.519 2.449 10 0 EEAEHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(Cl)nc1 ZINC001662930542 1354877428 /nfs/dbraw/zinc/87/74/28/1354877428.db2.gz ZMLOKZPMTXODJY-ZDUSSCGKSA-N 1 3 338.883 2.204 10 0 EEAEHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1NCc1cscn1 ZINC001667210096 1355674417 /nfs/dbraw/zinc/67/44/17/1355674417.db2.gz DSJKQINXLAWSBX-GDBMZVCRSA-N 1 3 338.521 2.202 10 0 EEAEHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ocnc1C ZINC001667301877 1355703801 /nfs/dbraw/zinc/70/38/01/1355703801.db2.gz LRMKEFWZRHVPSG-INIZCTEOSA-N 1 3 336.480 2.186 10 0 EEAEHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+]Cc1cccc2c1CCOC2 ZINC001668320306 1355922538 /nfs/dbraw/zinc/92/25/38/1355922538.db2.gz OUTIRFQPALPUDX-INIZCTEOSA-N 1 3 347.503 2.084 10 0 EEAEHO CN(CCCNCc1cc(Cl)ccc1F)C(=O)CC[NH+](C)C ZINC001670233437 1356300460 /nfs/dbraw/zinc/30/04/60/1356300460.db2.gz SDHLSQDRDAFSLV-UHFFFAOYSA-N 1 3 329.847 2.369 10 0 EEAEHO Cc1cccc(NCCNC(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)n1 ZINC001685360967 1358318575 /nfs/dbraw/zinc/31/85/75/1358318575.db2.gz QIIJGNLYROADGT-MRXNPFEDSA-N 1 3 333.480 2.174 10 0 EEAEHO Cc1cccc(NCCNC(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)n1 ZINC001685360967 1358318581 /nfs/dbraw/zinc/31/85/81/1358318581.db2.gz QIIJGNLYROADGT-MRXNPFEDSA-N 1 3 333.480 2.174 10 0 EEAEHO CCOCCC[NH2+][C@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001692329839 1405003524 /nfs/dbraw/zinc/00/35/24/1405003524.db2.gz OEEXJYIRHSNRPN-MSOLQXFVSA-N 1 3 339.524 2.116 10 0 EEAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC[C@@H]1CCCCO1 ZINC001699553677 1405392045 /nfs/dbraw/zinc/39/20/45/1405392045.db2.gz FNXGQOOVZNPCNG-ROUUACIJSA-N 1 3 339.524 2.258 10 0 EEAEHO CC(C)COCCN1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001699820351 1405508824 /nfs/dbraw/zinc/50/88/24/1405508824.db2.gz YJVSSQSDSHAODF-PKOBYXMFSA-N 1 3 339.524 2.114 10 0 EEAEHO CC(C)COCCN1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001699820351 1405508831 /nfs/dbraw/zinc/50/88/31/1405508831.db2.gz YJVSSQSDSHAODF-PKOBYXMFSA-N 1 3 339.524 2.114 10 0 EEAEHO Cc1cc(F)ccc1[C@H](O)C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000819085174 785395575 /nfs/dbraw/zinc/39/55/75/785395575.db2.gz SVSXXQYGQUIQBW-HNAYVOBHSA-N 1 3 336.451 2.258 10 0 EEAEHO C[NH+]1CCC(N2CCC(NC(=O)C3CC4(CC4(F)F)C3)CC2)CC1 ZINC000824818121 788313942 /nfs/dbraw/zinc/31/39/42/788313942.db2.gz GSSXLJCWDHXXKM-UHFFFAOYSA-N 1 3 341.446 2.097 10 0 EEAEHO CCCN(CC[NH+](C)C)C(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000844202792 788923998 /nfs/dbraw/zinc/92/39/98/788923998.db2.gz OHEIBVNLRKFWMR-AWEZNQCLSA-N 1 3 326.872 2.234 10 0 EEAEHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1ccc(C(F)(F)F)cn1)CC2 ZINC000923450443 789580942 /nfs/dbraw/zinc/58/09/42/789580942.db2.gz HJUOTHJUFNSLCE-AWEZNQCLSA-N 1 3 329.366 2.430 10 0 EEAEHO Cc1csc(C[C@H]2CC[N@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)n1 ZINC000923550325 789764734 /nfs/dbraw/zinc/76/47/34/789764734.db2.gz BBAXQXPIRXDJNU-SQNIBIBYSA-N 1 3 345.512 2.247 10 0 EEAEHO Cc1csc(C[C@H]2CC[N@@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)n1 ZINC000923550325 789764735 /nfs/dbraw/zinc/76/47/35/789764735.db2.gz BBAXQXPIRXDJNU-SQNIBIBYSA-N 1 3 345.512 2.247 10 0 EEAEHO