smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1C[N@H+](Cc2cccc(Br)c2O)CCN1c1nccn2cnnc12 ZINC000770279878 1078805102 /nfs/dbraw/zinc/80/51/02/1078805102.db2.gz IDDHILNBIICOBQ-LBPRGKRZSA-N 1 2 403.284 2.303 20 10 HECDLO C[C@H]1C[N@@H+](Cc2cccc(Br)c2O)CCN1c1nccn2cnnc12 ZINC000770279878 1078805105 /nfs/dbraw/zinc/80/51/05/1078805105.db2.gz IDDHILNBIICOBQ-LBPRGKRZSA-N 1 2 403.284 2.303 20 10 HECDLO CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745904147 1078984778 /nfs/dbraw/zinc/98/47/78/1078984778.db2.gz MMECSYILZPRIMJ-INIZCTEOSA-N 1 2 412.481 2.230 20 10 HECDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1)cc2=O ZINC000738320704 1075989533 /nfs/dbraw/zinc/98/95/33/1075989533.db2.gz PJIFWWILWKVWPZ-LBPRGKRZSA-N 1 2 402.373 2.155 20 10 HECDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H](OCC(F)(F)F)C1)cc2=O ZINC000738320704 1075989540 /nfs/dbraw/zinc/98/95/40/1075989540.db2.gz PJIFWWILWKVWPZ-LBPRGKRZSA-N 1 2 402.373 2.155 20 10 HECDLO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000740909872 1076295298 /nfs/dbraw/zinc/29/52/98/1076295298.db2.gz RUHJELKNPVLXQJ-OAQYLSRUSA-N 1 2 402.564 2.070 20 10 HECDLO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)c1 ZINC000768444409 1080564639 /nfs/dbraw/zinc/56/46/39/1080564639.db2.gz AXDCAWAAUDNZGX-IIBYNOLFSA-N 1 2 412.486 2.238 20 10 HECDLO CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000768498812 1080594187 /nfs/dbraw/zinc/59/41/87/1080594187.db2.gz JBECZRGVBAUHML-PGRDOPGGSA-N 1 2 401.551 2.343 20 10 HECDLO CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000768498812 1080594196 /nfs/dbraw/zinc/59/41/96/1080594196.db2.gz JBECZRGVBAUHML-PGRDOPGGSA-N 1 2 401.551 2.343 20 10 HECDLO CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000768498812 1080594205 /nfs/dbraw/zinc/59/42/05/1080594205.db2.gz JBECZRGVBAUHML-PGRDOPGGSA-N 1 2 401.551 2.343 20 10 HECDLO CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000768498812 1080594213 /nfs/dbraw/zinc/59/42/13/1080594213.db2.gz JBECZRGVBAUHML-PGRDOPGGSA-N 1 2 401.551 2.343 20 10 HECDLO CCOc1ccc(C[NH+]2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c(O)c1 ZINC000769023571 1080887418 /nfs/dbraw/zinc/88/74/18/1080887418.db2.gz OIIAIQBJKRJMEB-UHFFFAOYSA-N 1 2 416.503 2.174 20 10 HECDLO C[NH+]1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2cccc3nonc32)CC1 ZINC000769276977 1081028101 /nfs/dbraw/zinc/02/81/01/1081028101.db2.gz PQFSXJITRIRFFS-UHFFFAOYSA-N 1 2 407.883 2.429 20 10 HECDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2cccc(Br)c2O)C1 ZINC000769304683 1081037269 /nfs/dbraw/zinc/03/72/69/1081037269.db2.gz BGHRLINYVSWBJS-CQSZACIVSA-N 1 2 413.312 2.388 20 10 HECDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2cccc(Br)c2O)C1 ZINC000769304683 1081037277 /nfs/dbraw/zinc/03/72/77/1081037277.db2.gz BGHRLINYVSWBJS-CQSZACIVSA-N 1 2 413.312 2.388 20 10 HECDLO Cn1ccnc(N2CC[NH+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)c1=O ZINC000769466922 1081089227 /nfs/dbraw/zinc/08/92/27/1081089227.db2.gz PLAGNMKCEJXWTJ-UHFFFAOYSA-N 1 2 412.494 2.001 20 10 HECDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769895605 1078615790 /nfs/dbraw/zinc/61/57/90/1078615790.db2.gz DPXUPXNVUVSXIR-UHFFFAOYSA-N 1 2 419.503 2.157 20 10 HECDLO CC(=O)N1CCN(c2ccc(CNc3nc(NCCO)c4ccccc4[nH+]3)cc2)CC1 ZINC000786074438 1080380039 /nfs/dbraw/zinc/38/00/39/1080380039.db2.gz QOKUKDXNJHLPBB-UHFFFAOYSA-N 1 2 420.517 2.315 20 10 HECDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3cccc(OC)c3OC)CC2)cc1OC ZINC000768445206 1080564189 /nfs/dbraw/zinc/56/41/89/1080564189.db2.gz GAQRMYVRBSIXSI-UHFFFAOYSA-N 1 2 416.474 2.385 20 10 HECDLO CN(C)c1ccc(CNC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1F ZINC000786466790 1080645639 /nfs/dbraw/zinc/64/56/39/1080645639.db2.gz XHAWSHONIMQIFP-UHFFFAOYSA-N 1 2 413.497 2.210 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3csc(NC4CC4)n3)CC2)cc1 ZINC000769086825 1080934427 /nfs/dbraw/zinc/93/44/27/1080934427.db2.gz QQEJJYQPYXDUEZ-UHFFFAOYSA-N 1 2 401.536 2.278 20 10 HECDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000770003226 1078681693 /nfs/dbraw/zinc/68/16/93/1078681693.db2.gz QYOVZUOXTSNAJM-FQEVSTJZSA-N 1 2 404.467 2.309 20 10 HECDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000770003226 1078681698 /nfs/dbraw/zinc/68/16/98/1078681698.db2.gz QYOVZUOXTSNAJM-FQEVSTJZSA-N 1 2 404.467 2.309 20 10 HECDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000770302475 1078824628 /nfs/dbraw/zinc/82/46/28/1078824628.db2.gz WHAOYRVWCRXNMJ-RBUKOAKNSA-N 1 2 424.549 2.211 20 10 HECDLO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000740909871 1076295323 /nfs/dbraw/zinc/29/53/23/1076295323.db2.gz RUHJELKNPVLXQJ-NRFANRHFSA-N 1 2 402.564 2.070 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)CSCc3c(C)noc3C)CC2)cc1 ZINC000742926620 1076898557 /nfs/dbraw/zinc/89/85/57/1076898557.db2.gz KHZZAFRUZPZMQA-UHFFFAOYSA-N 1 2 418.563 2.472 20 10 HECDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743536430 1077070343 /nfs/dbraw/zinc/07/03/43/1077070343.db2.gz KMLPPWCBQIFWMU-HZPDHXFCSA-N 1 2 412.481 2.277 20 10 HECDLO Cc1ccc(NS(=O)(=O)c2cccc3nonc32)cc1NC(=O)CC[NH+](C)C ZINC000767045249 1079602830 /nfs/dbraw/zinc/60/28/30/1079602830.db2.gz FTXKQXWQYYHHNW-UHFFFAOYSA-N 1 2 403.464 2.222 20 10 HECDLO COc1ccc(C[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000768193814 1080408156 /nfs/dbraw/zinc/40/81/56/1080408156.db2.gz RAIVFFIPUYQHKD-INIZCTEOSA-N 1 2 405.472 2.319 20 10 HECDLO COc1ccc(C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000768193814 1080408165 /nfs/dbraw/zinc/40/81/65/1080408165.db2.gz RAIVFFIPUYQHKD-INIZCTEOSA-N 1 2 405.472 2.319 20 10 HECDLO Cc1nc(N(C)C)nc(NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)[nH+]1 ZINC000768523367 1080609897 /nfs/dbraw/zinc/60/98/97/1080609897.db2.gz SEGWIDRGNPAJJQ-UHFFFAOYSA-N 1 2 423.500 2.114 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3c(C)[nH]nc3C(F)(F)F)CC2)cc1 ZINC000746593469 1080725818 /nfs/dbraw/zinc/72/58/18/1080725818.db2.gz OWCNBOHQRQLDPC-UHFFFAOYSA-N 1 2 411.428 2.298 20 10 HECDLO COc1cccc(CNC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)c1O ZINC000745780625 1078639780 /nfs/dbraw/zinc/63/97/80/1078639780.db2.gz KRTLXMXLWJGXML-UHFFFAOYSA-N 1 2 415.490 2.111 20 10 HECDLO CCN(Cc1cc(Br)ccc1O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000745803688 1078653957 /nfs/dbraw/zinc/65/39/57/1078653957.db2.gz WASFQODWIKTUHT-CYBMUJFWSA-N 1 2 400.317 2.407 20 10 HECDLO CCN(Cc1cc(Br)ccc1O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000745803688 1078653959 /nfs/dbraw/zinc/65/39/59/1078653959.db2.gz WASFQODWIKTUHT-CYBMUJFWSA-N 1 2 400.317 2.407 20 10 HECDLO Cn1cc(C[C@H]2CC(=O)N(C[N@H+](C)Cc3ccc(N4CCCCC4)cc3)C2=O)cn1 ZINC000746374144 1078880884 /nfs/dbraw/zinc/88/08/84/1078880884.db2.gz JCWDTBYISQXFSK-FQEVSTJZSA-N 1 2 409.534 2.418 20 10 HECDLO Cn1cc(C[C@H]2CC(=O)N(C[N@@H+](C)Cc3ccc(N4CCCCC4)cc3)C2=O)cn1 ZINC000746374144 1078880888 /nfs/dbraw/zinc/88/08/88/1078880888.db2.gz JCWDTBYISQXFSK-FQEVSTJZSA-N 1 2 409.534 2.418 20 10 HECDLO CN(C)c1ccc(CNC(=O)C[N@H+](C)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000738338348 1075984137 /nfs/dbraw/zinc/98/41/37/1075984137.db2.gz AKWNCGMQSPPQKG-UHFFFAOYSA-N 1 2 409.578 2.123 20 10 HECDLO CN(C)c1ccc(CNC(=O)C[N@@H+](C)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000738338348 1075984139 /nfs/dbraw/zinc/98/41/39/1075984139.db2.gz AKWNCGMQSPPQKG-UHFFFAOYSA-N 1 2 409.578 2.123 20 10 HECDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H](OCC(F)(F)F)C3)CC2)cc1 ZINC000738318296 1075988868 /nfs/dbraw/zinc/98/88/68/1075988868.db2.gz CXUHBIUMTQSQKJ-SFHVURJKSA-N 1 2 415.456 2.387 20 10 HECDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H](OCC(F)(F)F)C3)CC2)cc1 ZINC000738318296 1075988877 /nfs/dbraw/zinc/98/88/77/1075988877.db2.gz CXUHBIUMTQSQKJ-SFHVURJKSA-N 1 2 415.456 2.387 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)C(=O)Nc3ccc(C)cc3F)CC2)cc1 ZINC000743432241 1077046804 /nfs/dbraw/zinc/04/68/04/1077046804.db2.gz KTXJJPXQENYSER-UHFFFAOYSA-N 1 2 414.481 2.020 20 10 HECDLO O=C(NCc1c(O)ccc2c1CCCC2)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000743556488 1077068686 /nfs/dbraw/zinc/06/86/86/1077068686.db2.gz LJOAQCNZGFMBMA-OAQYLSRUSA-N 1 2 405.564 2.278 20 10 HECDLO CCOC1CC(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)([NH+]2CCOCC2)C1 ZINC000767861865 1080185632 /nfs/dbraw/zinc/18/56/32/1080185632.db2.gz SYMQZLZBQIUODI-RYHLMMNBSA-N 1 2 404.555 2.383 20 10 HECDLO COc1cc(O)c(C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1OC ZINC000768440642 1080561684 /nfs/dbraw/zinc/56/16/84/1080561684.db2.gz SFJYHDLEVCEKHX-UHFFFAOYSA-N 1 2 404.438 2.272 20 10 HECDLO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000786498639 1080658927 /nfs/dbraw/zinc/65/89/27/1080658927.db2.gz WTKMWUYHLJOORX-UHFFFAOYSA-N 1 2 407.518 2.215 20 10 HECDLO CCOc1cccc(C[NH+]2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1O ZINC000769024824 1080887955 /nfs/dbraw/zinc/88/79/55/1080887955.db2.gz SXFRYIURXQZMNQ-UHFFFAOYSA-N 1 2 416.503 2.174 20 10 HECDLO Cn1cc(C[C@@H]2CC(=O)N(C[N@H+](C)Cc3ccc(N4CCCCC4)cc3)C2=O)cn1 ZINC000746374145 1078880824 /nfs/dbraw/zinc/88/08/24/1078880824.db2.gz JCWDTBYISQXFSK-HXUWFJFHSA-N 1 2 409.534 2.418 20 10 HECDLO Cn1cc(C[C@@H]2CC(=O)N(C[N@@H+](C)Cc3ccc(N4CCCCC4)cc3)C2=O)cn1 ZINC000746374145 1078880826 /nfs/dbraw/zinc/88/08/26/1078880826.db2.gz JCWDTBYISQXFSK-HXUWFJFHSA-N 1 2 409.534 2.418 20 10 HECDLO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(-c4nnc[nH]4)cc3)CC2)cc1 ZINC000771105443 1079154592 /nfs/dbraw/zinc/15/45/92/1079154592.db2.gz UWEHOUYRTUDTPJ-UHFFFAOYSA-N 1 2 420.517 2.422 20 10 HECDLO COC(=O)c1ccc2c(c1)C[N@@H+](CC(=O)N1CCN(c3ccc(OC)cc3)CC1)CC2 ZINC000771451249 1079328905 /nfs/dbraw/zinc/32/89/05/1079328905.db2.gz APJKMFGIUBAKED-UHFFFAOYSA-N 1 2 423.513 2.189 20 10 HECDLO COC(=O)c1ccc2c(c1)C[N@H+](CC(=O)N1CCN(c3ccc(OC)cc3)CC1)CC2 ZINC000771451249 1079328911 /nfs/dbraw/zinc/32/89/11/1079328911.db2.gz APJKMFGIUBAKED-UHFFFAOYSA-N 1 2 423.513 2.189 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3csc(-c4ncccn4)n3)CC2)cc1 ZINC000742919470 1076897561 /nfs/dbraw/zinc/89/75/61/1076897561.db2.gz JDCMZUBLAKFYQI-UHFFFAOYSA-N 1 2 424.530 2.161 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)C(=O)Nc3ccc(C4CC4)cc3)CC2)cc1 ZINC000772219597 1079745344 /nfs/dbraw/zinc/74/53/44/1079745344.db2.gz OSEHTEIXAIEUGF-UHFFFAOYSA-N 1 2 422.529 2.450 20 10 HECDLO Cc1cc(C(=O)C[N@H+]2CCc3nn(C)c(=O)cc3C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000742428632 1080213225 /nfs/dbraw/zinc/21/32/25/1080213225.db2.gz FQNSOYYUIWGJPL-UHFFFAOYSA-N 1 2 420.469 2.158 20 10 HECDLO Cc1cc(C(=O)C[N@@H+]2CCc3nn(C)c(=O)cc3C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000742428632 1080213233 /nfs/dbraw/zinc/21/32/33/1080213233.db2.gz FQNSOYYUIWGJPL-UHFFFAOYSA-N 1 2 420.469 2.158 20 10 HECDLO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3cc(C)ccc3O)CC2)cc1[N+](=O)[O-] ZINC000768182467 1080400778 /nfs/dbraw/zinc/40/07/78/1080400778.db2.gz GSGOHZCIUREINL-UHFFFAOYSA-N 1 2 421.475 2.124 20 10 HECDLO NC(=O)c1cccnc1N1CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000768291575 1080462673 /nfs/dbraw/zinc/46/26/73/1080462673.db2.gz PVNTWGNNWYMGHQ-UHFFFAOYSA-N 1 2 424.505 2.401 20 10 HECDLO COc1cc(O)c(C[NH+]2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1OC ZINC000768445901 1080565064 /nfs/dbraw/zinc/56/50/64/1080565064.db2.gz VLQXXNNVIKMHGS-UHFFFAOYSA-N 1 2 400.475 2.441 20 10 HECDLO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000745778330 1078638663 /nfs/dbraw/zinc/63/86/63/1078638663.db2.gz APHBIQJTFPJDCN-GHTZIAJQSA-N 1 2 402.539 2.090 20 10 HECDLO CCN(Cc1cc(Br)ccc1O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000745792656 1078649872 /nfs/dbraw/zinc/64/98/72/1078649872.db2.gz QPBSDMPIQDNFFI-CYBMUJFWSA-N 1 2 400.317 2.407 20 10 HECDLO CCN(Cc1cc(Br)ccc1O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000745792656 1078649877 /nfs/dbraw/zinc/64/98/77/1078649877.db2.gz QPBSDMPIQDNFFI-CYBMUJFWSA-N 1 2 400.317 2.407 20 10 HECDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745802374 1078653453 /nfs/dbraw/zinc/65/34/53/1078653453.db2.gz LKOQZBHFBIFLGG-HZPDHXFCSA-N 1 2 412.481 2.277 20 10 HECDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745802374 1078653455 /nfs/dbraw/zinc/65/34/55/1078653455.db2.gz LKOQZBHFBIFLGG-HZPDHXFCSA-N 1 2 412.481 2.277 20 10 HECDLO CCO[C@@H]1CCC[N@H+](CC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1 ZINC000738318273 1075989017 /nfs/dbraw/zinc/98/90/17/1075989017.db2.gz BZQFJSVAVDICOX-GOSISDBHSA-N 1 2 419.547 2.425 20 10 HECDLO CCO[C@@H]1CCC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1 ZINC000738318273 1075989021 /nfs/dbraw/zinc/98/90/21/1075989021.db2.gz BZQFJSVAVDICOX-GOSISDBHSA-N 1 2 419.547 2.425 20 10 HECDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743536428 1077070257 /nfs/dbraw/zinc/07/02/57/1077070257.db2.gz KMLPPWCBQIFWMU-CVEARBPZSA-N 1 2 412.481 2.277 20 10 HECDLO CN(C)c1ccc2c(c1)OCCN2CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000746492151 1080092754 /nfs/dbraw/zinc/09/27/54/1080092754.db2.gz AGSPDCKJHBHLFW-UHFFFAOYSA-N 1 2 424.545 2.100 20 10 HECDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cc(-c2ccccc2)ccc1O ZINC000768160839 1080378165 /nfs/dbraw/zinc/37/81/65/1080378165.db2.gz SWTNDPAVIFEZGN-LJQANCHMSA-N 1 2 402.516 2.184 20 10 HECDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cc(-c2ccccc2)ccc1O ZINC000768160839 1080378172 /nfs/dbraw/zinc/37/81/72/1080378172.db2.gz SWTNDPAVIFEZGN-LJQANCHMSA-N 1 2 402.516 2.184 20 10 HECDLO COc1cc(OC)cc(C(=O)N2CC[NH+](Cc3cc(OC)c(OC)cc3O)CC2)c1 ZINC000768441445 1080562300 /nfs/dbraw/zinc/56/23/00/1080562300.db2.gz LOSPCPDQSOFPPU-UHFFFAOYSA-N 1 2 416.474 2.385 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cnc4ccccc4c3O)CC2)cc1 ZINC000742919045 1076897658 /nfs/dbraw/zinc/89/76/58/1076897658.db2.gz BBAAPKOLXCZWAQ-UHFFFAOYSA-N 1 2 406.486 2.089 20 10 HECDLO O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000743556487 1077068603 /nfs/dbraw/zinc/06/86/03/1077068603.db2.gz LJOAQCNZGFMBMA-NRFANRHFSA-N 1 2 405.564 2.278 20 10 HECDLO CCOC1CC(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)([NH+]2CCOCC2)C1 ZINC000767887495 1080202663 /nfs/dbraw/zinc/20/26/63/1080202663.db2.gz IWEGDRPEKDHUJJ-UHFFFAOYSA-N 1 2 404.555 2.164 20 10 HECDLO COc1ccc(O)c([C@@H](C)NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000767958296 1080251104 /nfs/dbraw/zinc/25/11/04/1080251104.db2.gz NANJDJKOBWCTQU-MRXNPFEDSA-N 1 2 412.490 2.102 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cncc(Br)c3)CC2)cc1 ZINC000742916355 1080380690 /nfs/dbraw/zinc/38/06/90/1080380690.db2.gz FUWNAIMNFKPFPN-UHFFFAOYSA-N 1 2 419.323 2.405 20 10 HECDLO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)c1 ZINC000768444406 1080564574 /nfs/dbraw/zinc/56/45/74/1080564574.db2.gz AXDCAWAAUDNZGX-IERDGZPVSA-N 1 2 412.486 2.238 20 10 HECDLO CCOc1ccc(O)c(C[NH+]2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1 ZINC000769022486 1080887177 /nfs/dbraw/zinc/88/71/77/1080887177.db2.gz MKOLMRVXDTWFKJ-UHFFFAOYSA-N 1 2 416.503 2.174 20 10 HECDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2cccc(Br)c2O)C1 ZINC000769304681 1081037096 /nfs/dbraw/zinc/03/70/96/1081037096.db2.gz BGHRLINYVSWBJS-AWEZNQCLSA-N 1 2 413.312 2.388 20 10 HECDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2cccc(Br)c2O)C1 ZINC000769304681 1081037107 /nfs/dbraw/zinc/03/71/07/1081037107.db2.gz BGHRLINYVSWBJS-AWEZNQCLSA-N 1 2 413.312 2.388 20 10 HECDLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2cccc(Br)c2O)CC1 ZINC000769306916 1081037804 /nfs/dbraw/zinc/03/78/04/1081037804.db2.gz VPXWVTXPGIKQKK-UHFFFAOYSA-N 1 2 413.312 2.388 20 10 HECDLO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2cccc(Br)c2O)CC1 ZINC000769306916 1081037809 /nfs/dbraw/zinc/03/78/09/1081037809.db2.gz VPXWVTXPGIKQKK-UHFFFAOYSA-N 1 2 413.312 2.388 20 10 HECDLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000769328577 1081044061 /nfs/dbraw/zinc/04/40/61/1081044061.db2.gz RBOPIDGETCYESO-SFHVURJKSA-N 1 2 418.557 2.227 20 10 HECDLO O=C1c2ccccc2C(=O)N1C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000769530968 1081111747 /nfs/dbraw/zinc/11/17/47/1081111747.db2.gz CECMZOBGOGSRMQ-FQEVSTJZSA-N 1 2 421.497 2.020 20 10 HECDLO O=C1c2ccccc2C(=O)N1C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000769530968 1081111759 /nfs/dbraw/zinc/11/17/59/1081111759.db2.gz CECMZOBGOGSRMQ-FQEVSTJZSA-N 1 2 421.497 2.020 20 10 HECDLO COc1ccc(N2CCC(NC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)CC2)cc1 ZINC000745796701 1078651479 /nfs/dbraw/zinc/65/14/79/1078651479.db2.gz TVOLZZQHVZTIMP-HXUWFJFHSA-N 1 2 402.539 2.170 20 10 HECDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000745813107 1078657519 /nfs/dbraw/zinc/65/75/19/1078657519.db2.gz XVYIFQUYIZBEHP-UHFFFAOYSA-N 1 2 424.611 2.182 20 10 HECDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000770274075 1078801892 /nfs/dbraw/zinc/80/18/92/1078801892.db2.gz FAOWOHQOCBAYQE-UHFFFAOYSA-N 1 2 411.506 2.385 20 10 HECDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000770302473 1078824554 /nfs/dbraw/zinc/82/45/54/1078824554.db2.gz WHAOYRVWCRXNMJ-MOPGFXCFSA-N 1 2 424.549 2.211 20 10 HECDLO Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771058129 1079119060 /nfs/dbraw/zinc/11/90/60/1079119060.db2.gz LLHVZGCRRZJOTJ-MRXNPFEDSA-N 1 2 404.898 2.359 20 10 HECDLO Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771058129 1079119064 /nfs/dbraw/zinc/11/90/64/1079119064.db2.gz LLHVZGCRRZJOTJ-MRXNPFEDSA-N 1 2 404.898 2.359 20 10 HECDLO Cc1cc(C(=O)C[N@H+]2CCSC[C@H]2C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000738339894 1075984400 /nfs/dbraw/zinc/98/44/00/1075984400.db2.gz JDOUOYYYXCOLJQ-CQSZACIVSA-N 1 2 407.561 2.362 20 10 HECDLO Cc1cc(C(=O)C[N@@H+]2CCSC[C@H]2C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000738339894 1075984411 /nfs/dbraw/zinc/98/44/11/1075984411.db2.gz JDOUOYYYXCOLJQ-CQSZACIVSA-N 1 2 407.561 2.362 20 10 HECDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1)cc2=O ZINC000738320700 1075989484 /nfs/dbraw/zinc/98/94/84/1075989484.db2.gz PJIFWWILWKVWPZ-GFCCVEGCSA-N 1 2 402.373 2.155 20 10 HECDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1)cc2=O ZINC000738320700 1075989489 /nfs/dbraw/zinc/98/94/89/1075989489.db2.gz PJIFWWILWKVWPZ-GFCCVEGCSA-N 1 2 402.373 2.155 20 10 HECDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)s1 ZINC000738545927 1076000607 /nfs/dbraw/zinc/00/06/07/1076000607.db2.gz VLUQFXPKULTFSL-UHFFFAOYSA-N 1 2 423.560 2.346 20 10 HECDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000741732686 1076612985 /nfs/dbraw/zinc/61/29/85/1076612985.db2.gz IHRQLFSMYSAPNG-HSZRJFAPSA-N 1 2 409.530 2.272 20 10 HECDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000741732686 1076612992 /nfs/dbraw/zinc/61/29/92/1076612992.db2.gz IHRQLFSMYSAPNG-HSZRJFAPSA-N 1 2 409.530 2.272 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(-c4ccncc4)on3)CC2)cc1 ZINC000742919085 1076897630 /nfs/dbraw/zinc/89/76/30/1076897630.db2.gz CHTRDGQOLCANSL-UHFFFAOYSA-N 1 2 407.474 2.297 20 10 HECDLO CCN(CC)c1ccc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000743169519 1076986287 /nfs/dbraw/zinc/98/62/87/1076986287.db2.gz VIZYPRUWOKRIMJ-UHFFFAOYSA-N 1 2 400.527 2.383 20 10 HECDLO COC(=O)c1ccc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c(F)c1 ZINC000772511761 1079907618 /nfs/dbraw/zinc/90/76/18/1079907618.db2.gz RVJBYQCIMPKZDN-UHFFFAOYSA-N 1 2 415.465 2.173 20 10 HECDLO CCOC1CC(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)([NH+]2CCOCC2)C1 ZINC000767888441 1080203682 /nfs/dbraw/zinc/20/36/82/1080203682.db2.gz TZDQIMTYSBHUFR-FPPRHVDESA-N 1 2 407.511 2.031 20 10 HECDLO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)Cc3cc(C)[nH]n3)cc2F)CC1 ZINC000767971584 1080242192 /nfs/dbraw/zinc/24/21/92/1080242192.db2.gz QCCLMIJNFOGCOU-OAHLLOKOSA-N 1 2 402.518 2.430 20 10 HECDLO O=C(CN1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1)Nc1ccccc1 ZINC000768231091 1080433519 /nfs/dbraw/zinc/43/35/19/1080433519.db2.gz UXIMWBJIFRZQNW-UHFFFAOYSA-N 1 2 412.509 2.419 20 10 HECDLO COc1ccc(C(=O)N2CC[NH+](Cc3cc(OC)c(OC)cc3O)CC2)c(OC)c1 ZINC000768442114 1080561879 /nfs/dbraw/zinc/56/18/79/1080561879.db2.gz IYRDEXRQUAMUME-UHFFFAOYSA-N 1 2 416.474 2.385 20 10 HECDLO CN(C)c1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000768498536 1080594100 /nfs/dbraw/zinc/59/41/00/1080594100.db2.gz QZXJSYYZKRJGJF-SFHVURJKSA-N 1 2 405.543 2.103 20 10 HECDLO CN(C)c1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000768498536 1080594104 /nfs/dbraw/zinc/59/41/04/1080594104.db2.gz QZXJSYYZKRJGJF-SFHVURJKSA-N 1 2 405.543 2.103 20 10 HECDLO CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000768498813 1080594435 /nfs/dbraw/zinc/59/44/35/1080594435.db2.gz JBECZRGVBAUHML-XMSQKQJNSA-N 1 2 401.551 2.343 20 10 HECDLO CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000768498813 1080594447 /nfs/dbraw/zinc/59/44/47/1080594447.db2.gz JBECZRGVBAUHML-XMSQKQJNSA-N 1 2 401.551 2.343 20 10 HECDLO CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000768498813 1080594456 /nfs/dbraw/zinc/59/44/56/1080594456.db2.gz JBECZRGVBAUHML-XMSQKQJNSA-N 1 2 401.551 2.343 20 10 HECDLO CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000768498813 1080594464 /nfs/dbraw/zinc/59/44/64/1080594464.db2.gz JBECZRGVBAUHML-XMSQKQJNSA-N 1 2 401.551 2.343 20 10 HECDLO CNS(=O)(=O)c1ccccc1N1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000769318082 1081040785 /nfs/dbraw/zinc/04/07/85/1081040785.db2.gz ZXLVDWMJEPFHIM-UHFFFAOYSA-N 1 2 406.527 2.122 20 10 HECDLO O=C(CN1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1)NC1CCCCC1 ZINC000769319899 1081040959 /nfs/dbraw/zinc/04/09/59/1081040959.db2.gz DMFZALSYSYWWSJ-UHFFFAOYSA-N 1 2 418.557 2.229 20 10 HECDLO CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@H](C)[N@@H+]1CCc3ccccc3C1)cc2=O ZINC000740987702 1076319339 /nfs/dbraw/zinc/31/93/39/1076319339.db2.gz UFKUZLJWDKDSRB-AWEZNQCLSA-N 1 2 424.457 2.102 20 10 HECDLO CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@H](C)[N@H+]1CCc3ccccc3C1)cc2=O ZINC000740987702 1076319347 /nfs/dbraw/zinc/31/93/47/1076319347.db2.gz UFKUZLJWDKDSRB-AWEZNQCLSA-N 1 2 424.457 2.102 20 10 HECDLO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000741710165 1076600622 /nfs/dbraw/zinc/60/06/22/1076600622.db2.gz YPRPZLXRNHKTKR-XLIONFOSSA-N 1 2 407.580 2.143 20 10 HECDLO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000741710165 1076600633 /nfs/dbraw/zinc/60/06/33/1076600633.db2.gz YPRPZLXRNHKTKR-XLIONFOSSA-N 1 2 407.580 2.143 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3nc(SC)ncc3Cl)CC2)cc1 ZINC000742920188 1076897787 /nfs/dbraw/zinc/89/77/87/1076897787.db2.gz GHRMIXFIHKXQKD-UHFFFAOYSA-N 1 2 421.954 2.413 20 10 HECDLO O=C(NCCCSc1nccs1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000786466828 1080645725 /nfs/dbraw/zinc/64/57/25/1080645725.db2.gz YWXXSOPHGIWNHU-UHFFFAOYSA-N 1 2 419.576 2.443 20 10 HECDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745802372 1078653391 /nfs/dbraw/zinc/65/33/91/1078653391.db2.gz LKOQZBHFBIFLGG-CVEARBPZSA-N 1 2 412.481 2.277 20 10 HECDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745802372 1078653393 /nfs/dbraw/zinc/65/33/93/1078653393.db2.gz LKOQZBHFBIFLGG-CVEARBPZSA-N 1 2 412.481 2.277 20 10 HECDLO COc1cccc(C(=O)N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)c1OC ZINC000738107763 1075964321 /nfs/dbraw/zinc/96/43/21/1075964321.db2.gz OHXOJNVEHOJVLR-UHFFFAOYSA-N 1 2 400.431 2.096 20 10 HECDLO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)Cc3cc(C)[nH]n3)cc2F)CC1 ZINC000767971582 1080242064 /nfs/dbraw/zinc/24/20/64/1080242064.db2.gz QCCLMIJNFOGCOU-HNNXBMFYSA-N 1 2 402.518 2.430 20 10 HECDLO Cc1ccc(O)c(C[NH+]2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)c1 ZINC000768185142 1080402123 /nfs/dbraw/zinc/40/21/23/1080402123.db2.gz MLPJJNDNKOJQPZ-UHFFFAOYSA-N 1 2 404.517 2.212 20 10 HECDLO CCc1ccc(CS(=O)(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000768835903 1080818249 /nfs/dbraw/zinc/81/82/49/1080818249.db2.gz STZKOBRVYKPMBN-UHFFFAOYSA-N 1 2 417.575 2.499 20 10 HECDLO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000787298283 1081098250 /nfs/dbraw/zinc/09/82/50/1081098250.db2.gz NYOUTRKTPCZZCS-UHFFFAOYSA-N 1 2 417.513 2.464 20 10 HECDLO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H]3CCCc4cn[nH]c43)CC2)cc1 ZINC000766845904 1079444699 /nfs/dbraw/zinc/44/46/99/1079444699.db2.gz MKVNEOWJGAKVEQ-HXUWFJFHSA-N 1 2 412.538 2.307 20 10 HECDLO CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)cc2=O ZINC000745097997 1077730036 /nfs/dbraw/zinc/73/00/36/1077730036.db2.gz PKXUAIHMRKJVAM-GOSISDBHSA-N 1 2 412.446 2.348 20 10 HECDLO CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)cc2=O ZINC000745097997 1077730043 /nfs/dbraw/zinc/73/00/43/1077730043.db2.gz PKXUAIHMRKJVAM-GOSISDBHSA-N 1 2 412.446 2.348 20 10 HECDLO CCOC1CC(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)([NH+]2CCOCC2)C1 ZINC000767861864 1080185812 /nfs/dbraw/zinc/18/58/12/1080185812.db2.gz SYMQZLZBQIUODI-FEPNQTLGSA-N 1 2 404.555 2.383 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(OC)c(Cl)n3)CC2)cc1 ZINC000767883183 1080200500 /nfs/dbraw/zinc/20/05/00/1080200500.db2.gz IIXFVVKIYMMDDH-UHFFFAOYSA-N 1 2 404.898 2.304 20 10 HECDLO Cc1ccc(O)c(C[NH+]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000768155148 1080374643 /nfs/dbraw/zinc/37/46/43/1080374643.db2.gz BJUPGHJJFBESOM-UHFFFAOYSA-N 1 2 405.476 2.424 20 10 HECDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768299938 1080471392 /nfs/dbraw/zinc/47/13/92/1080471392.db2.gz OEVQOEGZIHRAIK-LJQANCHMSA-N 1 2 418.557 2.181 20 10 HECDLO O=C(Cc1ccc(Cl)cc1)N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768439355 1080560650 /nfs/dbraw/zinc/56/06/50/1080560650.db2.gz GFZVREGFQRWJRK-IBGZPJMESA-N 1 2 402.878 2.358 20 10 HECDLO COC(=O)c1ccc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1F ZINC000768562818 1080631435 /nfs/dbraw/zinc/63/14/35/1080631435.db2.gz ULWABHRRARPDMT-UHFFFAOYSA-N 1 2 415.465 2.173 20 10 HECDLO CCc1ccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1C ZINC000769999085 1078680425 /nfs/dbraw/zinc/68/04/25/1078680425.db2.gz IFRDXOQVTZIZRM-UHFFFAOYSA-N 1 2 424.545 2.443 20 10 HECDLO CCSCc1cc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)no1 ZINC000770223503 1078773314 /nfs/dbraw/zinc/77/33/14/1078773314.db2.gz QTQQMHFQBLVAIF-UHFFFAOYSA-N 1 2 404.536 2.488 20 10 HECDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000770251053 1078811721 /nfs/dbraw/zinc/81/17/21/1078811721.db2.gz BKAYGQJYRMQMKS-UHFFFAOYSA-N 1 2 423.517 2.082 20 10 HECDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000770302476 1078824666 /nfs/dbraw/zinc/82/46/66/1078824666.db2.gz WHAOYRVWCRXNMJ-RTBURBONSA-N 1 2 424.549 2.211 20 10 HECDLO CCC(CC)[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[NH+]1CCOCC1 ZINC000742051034 1076718713 /nfs/dbraw/zinc/71/87/13/1076718713.db2.gz PATBROBXLUWQPS-OAQYLSRUSA-N 1 2 407.530 2.416 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(NC(C)=O)ccc3F)CC2)cc1 ZINC000742916150 1076897160 /nfs/dbraw/zinc/89/71/60/1076897160.db2.gz DGSXBJBWGCVPJL-UHFFFAOYSA-N 1 2 414.481 2.345 20 10 HECDLO CCc1cccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000743442317 1077051090 /nfs/dbraw/zinc/05/10/90/1077051090.db2.gz HSQKFSMQHHYNMT-UHFFFAOYSA-N 1 2 410.518 2.135 20 10 HECDLO CCc1nn(C)c(Cl)c1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000767338534 1079811207 /nfs/dbraw/zinc/81/12/07/1079811207.db2.gz HNBGTUFRGMJARH-UHFFFAOYSA-N 1 2 405.930 2.197 20 10 HECDLO CCOC1CC(CNC(=O)NCc2ccc(N3CC=CC3)cc2)([NH+]2CCOCC2)C1 ZINC000767814248 1080119395 /nfs/dbraw/zinc/11/93/95/1080119395.db2.gz MXKLDNFXAPJJIS-UHFFFAOYSA-N 1 2 414.550 2.132 20 10 HECDLO COc1cccc(CC(=O)N2CC[NH+](Cc3cc(OC)c(OC)cc3O)CC2)c1 ZINC000768439756 1080560792 /nfs/dbraw/zinc/56/07/92/1080560792.db2.gz JJTHZXWGDUDKBK-UHFFFAOYSA-N 1 2 400.475 2.305 20 10 HECDLO O=C(c1ccccc1OC(F)F)N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768440885 1080561205 /nfs/dbraw/zinc/56/12/05/1080561205.db2.gz HJQULUBLRPWHGI-KRWDZBQOSA-N 1 2 420.412 2.377 20 10 HECDLO O=C(NCCCSc1nccs1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000787297744 1081097409 /nfs/dbraw/zinc/09/74/09/1081097409.db2.gz KKBGJGQAGMULCY-UHFFFAOYSA-N 1 2 415.544 2.303 20 10 HECDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000770272312 1078801910 /nfs/dbraw/zinc/80/19/10/1078801910.db2.gz YHCPHLGUOJHCEA-UHFFFAOYSA-N 1 2 424.501 2.066 20 10 HECDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000741145285 1076392187 /nfs/dbraw/zinc/39/21/87/1076392187.db2.gz QVINNCLFCYTXQF-LJQANCHMSA-N 1 2 406.438 2.428 20 10 HECDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000741145285 1076392191 /nfs/dbraw/zinc/39/21/91/1076392191.db2.gz QVINNCLFCYTXQF-LJQANCHMSA-N 1 2 406.438 2.428 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3nnn(-c4ccccc4)c3C)CC2)cc1 ZINC000742916096 1076897197 /nfs/dbraw/zinc/89/71/97/1076897197.db2.gz CAGZZXIRKAFDKY-UHFFFAOYSA-N 1 2 420.517 2.136 20 10 HECDLO CCOC1CC(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)([NH+]2CCOCC2)C1 ZINC000768078607 1080331060 /nfs/dbraw/zinc/33/10/60/1080331060.db2.gz JDGKCLLTNHDXRM-UHFFFAOYSA-N 1 2 412.534 2.489 20 10 HECDLO O=S(=O)(Cc1ccccc1)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000768191593 1080406499 /nfs/dbraw/zinc/40/64/99/1080406499.db2.gz KMIDBZNPNGVPRR-UHFFFAOYSA-N 1 2 415.559 2.171 20 10 HECDLO CN(C)c1ccc(CN(C)C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000786467590 1080612022 /nfs/dbraw/zinc/61/20/22/1080612022.db2.gz LGNYULWDZJXQOQ-UHFFFAOYSA-N 1 2 409.534 2.413 20 10 HECDLO CCOc1ccc(O)c(C[NH+]2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)c1 ZINC000768549607 1080623263 /nfs/dbraw/zinc/62/32/63/1080623263.db2.gz TXNOEMGRXJKYAK-UHFFFAOYSA-N 1 2 411.568 2.418 20 10 HECDLO CCN(Cc1cc(Br)ccc1O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000745803689 1078653999 /nfs/dbraw/zinc/65/39/99/1078653999.db2.gz WASFQODWIKTUHT-ZDUSSCGKSA-N 1 2 400.317 2.407 20 10 HECDLO CCN(Cc1cc(Br)ccc1O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000745803689 1078654000 /nfs/dbraw/zinc/65/40/00/1078654000.db2.gz WASFQODWIKTUHT-ZDUSSCGKSA-N 1 2 400.317 2.407 20 10 HECDLO CCOC(=O)c1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000770509578 1078871466 /nfs/dbraw/zinc/87/14/66/1078871466.db2.gz PCRZVTLVRFCCDA-UHFFFAOYSA-N 1 2 404.488 2.075 20 10 HECDLO Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771058053 1079119086 /nfs/dbraw/zinc/11/90/86/1079119086.db2.gz LLHVZGCRRZJOTJ-INIZCTEOSA-N 1 2 404.898 2.359 20 10 HECDLO Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771058053 1079119090 /nfs/dbraw/zinc/11/90/90/1079119090.db2.gz LLHVZGCRRZJOTJ-INIZCTEOSA-N 1 2 404.898 2.359 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cccnc3N3CCCC3)CC2)cc1 ZINC000742916095 1076897179 /nfs/dbraw/zinc/89/71/79/1076897179.db2.gz BXNNBMUZZCOUIN-UHFFFAOYSA-N 1 2 409.534 2.242 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(-c4cccnc4)on3)CC2)cc1 ZINC000742919057 1076897626 /nfs/dbraw/zinc/89/76/26/1076897626.db2.gz BGOBVBVZSJHXDK-UHFFFAOYSA-N 1 2 407.474 2.297 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000742927284 1076898571 /nfs/dbraw/zinc/89/85/71/1076898571.db2.gz MIQSWNGJJAAVNV-UHFFFAOYSA-N 1 2 405.502 2.433 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)C(=O)Nc3ccc(F)cc3C)CC2)cc1 ZINC000743432854 1077050175 /nfs/dbraw/zinc/05/01/75/1077050175.db2.gz UQVSEZMFPATBDJ-UHFFFAOYSA-N 1 2 414.481 2.020 20 10 HECDLO CCOC1CC(CNC(=O)NCc2ccc(N(C)C)cc2C)([NH+]2CCOCC2)C1 ZINC000767888462 1080203837 /nfs/dbraw/zinc/20/38/37/1080203837.db2.gz UIXVMFJEGNZOMY-UHFFFAOYSA-N 1 2 404.555 2.130 20 10 HECDLO O=C(CN1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1)N1CCCCCC1 ZINC000768212533 1080416249 /nfs/dbraw/zinc/41/62/49/1080416249.db2.gz LCIWYGKWVZFIBE-UHFFFAOYSA-N 1 2 418.557 2.183 20 10 HECDLO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)c1 ZINC000768444410 1080564671 /nfs/dbraw/zinc/56/46/71/1080564671.db2.gz AXDCAWAAUDNZGX-KKSFZXQISA-N 1 2 412.486 2.238 20 10 HECDLO CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000769721487 1078535610 /nfs/dbraw/zinc/53/56/10/1078535610.db2.gz AEIAEUNGSICTOW-UHFFFAOYSA-N 1 2 416.459 2.292 20 10 HECDLO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000745778332 1078638688 /nfs/dbraw/zinc/63/86/88/1078638688.db2.gz APHBIQJTFPJDCN-RXVVDRJESA-N 1 2 402.539 2.090 20 10 HECDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000770302474 1078824513 /nfs/dbraw/zinc/82/45/13/1078824513.db2.gz WHAOYRVWCRXNMJ-OALUTQOASA-N 1 2 424.549 2.211 20 10 HECDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)c(C)n1-c1ccc(Br)cc1 ZINC000770665361 1078924624 /nfs/dbraw/zinc/92/46/24/1078924624.db2.gz KDVRJCWMWYBIQY-IRXDYDNUSA-N 1 2 407.308 2.467 20 10 HECDLO Cc1cc(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)c(C)n1-c1ccc(Br)cc1 ZINC000770665361 1078924626 /nfs/dbraw/zinc/92/46/26/1078924626.db2.gz KDVRJCWMWYBIQY-IRXDYDNUSA-N 1 2 407.308 2.467 20 10 HECDLO Cc1cn2cc(NC(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)ccc2[nH+]1 ZINC000738919241 1076029280 /nfs/dbraw/zinc/02/92/80/1076029280.db2.gz HZNQQORYIFPUJX-UHFFFAOYSA-N 1 2 413.503 2.199 20 10 HECDLO COc1ccc(N2CC[NH+](Cc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1F ZINC000766248683 1076156284 /nfs/dbraw/zinc/15/62/84/1076156284.db2.gz MHXHHARMIGFYEY-UHFFFAOYSA-N 1 2 407.511 2.407 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)C(=O)Nc3cc(C)ccc3F)CC2)cc1 ZINC000743432162 1077046701 /nfs/dbraw/zinc/04/67/01/1077046701.db2.gz HNBTYKGMWPXQIR-UHFFFAOYSA-N 1 2 414.481 2.020 20 10 HECDLO CCOc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1O ZINC000768155123 1080374725 /nfs/dbraw/zinc/37/47/25/1080374725.db2.gz AJKQHOXCYDHBAS-UHFFFAOYSA-N 1 2 406.504 2.306 20 10 HECDLO Cc1ccc(O)c(C[NH+]2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)c1 ZINC000768202185 1080393094 /nfs/dbraw/zinc/39/30/94/1080393094.db2.gz YSAZQLZRSAIYHD-UHFFFAOYSA-N 1 2 405.476 2.335 20 10 HECDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768299932 1080470822 /nfs/dbraw/zinc/47/08/22/1080470822.db2.gz OEVQOEGZIHRAIK-IBGZPJMESA-N 1 2 418.557 2.181 20 10 HECDLO Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768447798 1080566001 /nfs/dbraw/zinc/56/60/01/1080566001.db2.gz PTQYVRKNVCHVMJ-OXQOHEQNSA-N 1 2 412.486 2.238 20 10 HECDLO CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000768498399 1080594540 /nfs/dbraw/zinc/59/45/40/1080594540.db2.gz JBECZRGVBAUHML-GCJKJVERSA-N 1 2 401.551 2.343 20 10 HECDLO CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000768498399 1080594549 /nfs/dbraw/zinc/59/45/49/1080594549.db2.gz JBECZRGVBAUHML-GCJKJVERSA-N 1 2 401.551 2.343 20 10 HECDLO CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000768498399 1080594556 /nfs/dbraw/zinc/59/45/56/1080594556.db2.gz JBECZRGVBAUHML-GCJKJVERSA-N 1 2 401.551 2.343 20 10 HECDLO CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000768498399 1080594566 /nfs/dbraw/zinc/59/45/66/1080594566.db2.gz JBECZRGVBAUHML-GCJKJVERSA-N 1 2 401.551 2.343 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)C(=O)N[C@@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000786722021 1080800030 /nfs/dbraw/zinc/80/00/30/1080800030.db2.gz HUEPKYFXJXTWLW-IBGZPJMESA-N 1 2 424.545 2.119 20 10 HECDLO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)c2)CC1 ZINC000769849554 1078608226 /nfs/dbraw/zinc/60/82/26/1078608226.db2.gz VLCOAYNWBISWAF-UHFFFAOYSA-N 1 2 423.560 2.033 20 10 HECDLO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000745778333 1078638597 /nfs/dbraw/zinc/63/85/97/1078638597.db2.gz APHBIQJTFPJDCN-WIYYLYMNSA-N 1 2 402.539 2.090 20 10 HECDLO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000745778331 1078638751 /nfs/dbraw/zinc/63/87/51/1078638751.db2.gz APHBIQJTFPJDCN-NQIIRXRSSA-N 1 2 402.539 2.090 20 10 HECDLO COc1ccc(N2CCC(NC(=O)N3CCC[C@H]3C[NH+]3CCOCC3)CC2)cc1 ZINC000745796699 1078651561 /nfs/dbraw/zinc/65/15/61/1078651561.db2.gz TVOLZZQHVZTIMP-FQEVSTJZSA-N 1 2 402.539 2.170 20 10 HECDLO CS(=O)(=O)N1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)Cc2ccccc21 ZINC000770378897 1078833836 /nfs/dbraw/zinc/83/38/36/1078833836.db2.gz FQIAYFWKUKJKME-UHFFFAOYSA-N 1 2 401.532 2.305 20 10 HECDLO CS(=O)(=O)N1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)Cc2ccccc21 ZINC000770378897 1078833838 /nfs/dbraw/zinc/83/38/38/1078833838.db2.gz FQIAYFWKUKJKME-UHFFFAOYSA-N 1 2 401.532 2.305 20 10 HECDLO COC(=O)C[N@H+](CCN1CCOCC1)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000746382204 1079183724 /nfs/dbraw/zinc/18/37/24/1079183724.db2.gz ZRRDQPLGLKYZHQ-UHFFFAOYSA-N 1 2 402.491 2.324 20 10 HECDLO COC(=O)C[N@@H+](CCN1CCOCC1)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000746382204 1079183728 /nfs/dbraw/zinc/18/37/28/1079183728.db2.gz ZRRDQPLGLKYZHQ-UHFFFAOYSA-N 1 2 402.491 2.324 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)CSCc3cccnc3)CC2)cc1 ZINC000742917259 1076897301 /nfs/dbraw/zinc/89/73/01/1076897301.db2.gz VMDQDOUMELYCJZ-UHFFFAOYSA-N 1 2 400.548 2.262 20 10 HECDLO O=C(C[N@@H+]1CCOC2(CCCCC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000743852642 1077142187 /nfs/dbraw/zinc/14/21/87/1077142187.db2.gz SLESUIPJXNZKPH-UHFFFAOYSA-N 1 2 405.514 2.314 20 10 HECDLO O=C(C[N@H+]1CCOC2(CCCCC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000743852642 1077142199 /nfs/dbraw/zinc/14/21/99/1077142199.db2.gz SLESUIPJXNZKPH-UHFFFAOYSA-N 1 2 405.514 2.314 20 10 HECDLO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3cc(OC)c(C)cc3O)CC2)cc1 ZINC000768437578 1080559260 /nfs/dbraw/zinc/55/92/60/1080559260.db2.gz AEHGNOCZWIMUSW-UHFFFAOYSA-N 1 2 406.504 2.224 20 10 HECDLO O=C(COc1ccc(Cl)cc1)N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768439881 1080560257 /nfs/dbraw/zinc/56/02/57/1080560257.db2.gz LSRHRSCIAIVFHN-IBGZPJMESA-N 1 2 418.877 2.195 20 10 HECDLO COc1ccc(CCC(=O)N2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)cc1 ZINC000768440079 1080560360 /nfs/dbraw/zinc/56/03/60/1080560360.db2.gz NRZOIHMROOLRBG-NRFANRHFSA-N 1 2 412.486 2.104 20 10 HECDLO COc1cc(C[NH+]2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c(O)cc1C ZINC000768443129 1080562944 /nfs/dbraw/zinc/56/29/44/1080562944.db2.gz PDAAIVPANMFPTG-UHFFFAOYSA-N 1 2 416.503 2.092 20 10 HECDLO CCOc1ccc(C[NH+]2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)c(O)c1 ZINC000768549439 1080623094 /nfs/dbraw/zinc/62/30/94/1080623094.db2.gz QEVOJDUJMITHHG-UHFFFAOYSA-N 1 2 411.568 2.418 20 10 HECDLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccccc1 ZINC000769922730 1078636497 /nfs/dbraw/zinc/63/64/97/1078636497.db2.gz BGAWVOVWVBLWEM-QGZVFWFLSA-N 1 2 414.487 2.211 20 10 HECDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccccc1 ZINC000769922728 1078636615 /nfs/dbraw/zinc/63/66/15/1078636615.db2.gz BGAWVOVWVBLWEM-KRWDZBQOSA-N 1 2 414.487 2.211 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)CSCc3ccncc3)CC2)cc1 ZINC000742920715 1076897765 /nfs/dbraw/zinc/89/77/65/1076897765.db2.gz RESDSTMYSAXOCF-UHFFFAOYSA-N 1 2 400.548 2.262 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccn(Cc4ccccc4)n3)CC2)cc1 ZINC000771968158 1079614876 /nfs/dbraw/zinc/61/48/76/1079614876.db2.gz WSWDDOMKHLXJAL-UHFFFAOYSA-N 1 2 419.529 2.492 20 10 HECDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1O ZINC000767738528 1080058797 /nfs/dbraw/zinc/05/87/97/1080058797.db2.gz VRFOATTXRKFPFT-UHFFFAOYSA-N 1 2 421.494 2.428 20 10 HECDLO COCCNc1nc(N(C)Cc2ccccc2O)[nH+]c(N(C)Cc2ccccc2O)n1 ZINC000786792532 1080824369 /nfs/dbraw/zinc/82/43/69/1080824369.db2.gz DKWLLUQIVJRZIX-UHFFFAOYSA-N 1 2 424.505 2.036 20 10 HECDLO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000768870868 1080825930 /nfs/dbraw/zinc/82/59/30/1080825930.db2.gz FJXIIJVYHREEBV-UHFFFAOYSA-N 1 2 422.503 2.204 20 10 HECDLO COc1cccc(CNC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)c1O ZINC000745784711 1078642940 /nfs/dbraw/zinc/64/29/40/1078642940.db2.gz YWBMFFBNMNDZNJ-UHFFFAOYSA-N 1 2 415.490 2.111 20 10 HECDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000745790575 1078645575 /nfs/dbraw/zinc/64/55/75/1078645575.db2.gz BALZOEYHAZFPKQ-HZPDHXFCSA-N 1 2 412.481 2.277 20 10 HECDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000745790575 1078645580 /nfs/dbraw/zinc/64/55/80/1078645580.db2.gz BALZOEYHAZFPKQ-HZPDHXFCSA-N 1 2 412.481 2.277 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccnc(N4CCCCC4)n3)CC2)cc1 ZINC000739711327 1076074476 /nfs/dbraw/zinc/07/44/76/1076074476.db2.gz KMCSFHJXCCLAMO-UHFFFAOYSA-N 1 2 424.549 2.028 20 10 HECDLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000741145284 1076392248 /nfs/dbraw/zinc/39/22/48/1076392248.db2.gz QVINNCLFCYTXQF-IBGZPJMESA-N 1 2 406.438 2.428 20 10 HECDLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000741145284 1076392249 /nfs/dbraw/zinc/39/22/49/1076392249.db2.gz QVINNCLFCYTXQF-IBGZPJMESA-N 1 2 406.438 2.428 20 10 HECDLO CC[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCN1CC(F)F ZINC000766267750 1076462284 /nfs/dbraw/zinc/46/22/84/1076462284.db2.gz HFXVRDOCRZTOEC-QGZVFWFLSA-N 1 2 410.509 2.005 20 10 HECDLO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCN1CC(F)F ZINC000766267750 1076462285 /nfs/dbraw/zinc/46/22/85/1076462285.db2.gz HFXVRDOCRZTOEC-QGZVFWFLSA-N 1 2 410.509 2.005 20 10 HECDLO CCc1cccc(C)c1NC(=O)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000743442572 1077051056 /nfs/dbraw/zinc/05/10/56/1077051056.db2.gz NJKOGUVIHPDYHT-UHFFFAOYSA-N 1 2 424.545 2.443 20 10 HECDLO CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000785724568 1080201140 /nfs/dbraw/zinc/20/11/40/1080201140.db2.gz DHAVSRWZIUMXHY-UHFFFAOYSA-N 1 2 423.922 2.205 20 10 HECDLO CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000785724568 1080201144 /nfs/dbraw/zinc/20/11/44/1080201144.db2.gz DHAVSRWZIUMXHY-UHFFFAOYSA-N 1 2 423.922 2.205 20 10 HECDLO O=C(Cc1ccc(Cl)cc1)N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768439356 1080560747 /nfs/dbraw/zinc/56/07/47/1080560747.db2.gz GFZVREGFQRWJRK-LJQANCHMSA-N 1 2 402.878 2.358 20 10 HECDLO CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000768498397 1080594270 /nfs/dbraw/zinc/59/42/70/1080594270.db2.gz JBECZRGVBAUHML-AVRDEDQJSA-N 1 2 401.551 2.343 20 10 HECDLO CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000768498397 1080594280 /nfs/dbraw/zinc/59/42/80/1080594280.db2.gz JBECZRGVBAUHML-AVRDEDQJSA-N 1 2 401.551 2.343 20 10 HECDLO CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000768498397 1080594289 /nfs/dbraw/zinc/59/42/89/1080594289.db2.gz JBECZRGVBAUHML-AVRDEDQJSA-N 1 2 401.551 2.343 20 10 HECDLO CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000768498397 1080594301 /nfs/dbraw/zinc/59/43/01/1080594301.db2.gz JBECZRGVBAUHML-AVRDEDQJSA-N 1 2 401.551 2.343 20 10 HECDLO CCN(CC)c1ccc(CNC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000786507189 1080662934 /nfs/dbraw/zinc/66/29/34/1080662934.db2.gz UTBOTWQPBROAJK-UHFFFAOYSA-N 1 2 409.534 2.461 20 10 HECDLO CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC000786659386 1080744448 /nfs/dbraw/zinc/74/44/48/1080744448.db2.gz JTUIVLNXXZEORJ-UHFFFAOYSA-N 1 2 403.486 2.471 20 10 HECDLO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000745810179 1078656307 /nfs/dbraw/zinc/65/63/07/1078656307.db2.gz YMNFTYXHMIFKSY-AWEZNQCLSA-N 1 2 413.360 2.322 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(-c4ccccn4)no3)CC2)cc1 ZINC000746174068 1078810705 /nfs/dbraw/zinc/81/07/05/1078810705.db2.gz JQFHXZLCRBWVCD-UHFFFAOYSA-N 1 2 407.474 2.297 20 10 HECDLO CCO[C@H]1CCC[N@H+](CC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1 ZINC000738318275 1075988945 /nfs/dbraw/zinc/98/89/45/1075988945.db2.gz BZQFJSVAVDICOX-SFHVURJKSA-N 1 2 419.547 2.425 20 10 HECDLO CCO[C@H]1CCC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1 ZINC000738318275 1075988947 /nfs/dbraw/zinc/98/89/47/1075988947.db2.gz BZQFJSVAVDICOX-SFHVURJKSA-N 1 2 419.547 2.425 20 10 HECDLO COc1ccc(-n2c(C)cc(C(=O)N3CC[NH+](CCn4cncn4)CC3)c2C)cc1 ZINC000740738808 1076229609 /nfs/dbraw/zinc/22/96/09/1076229609.db2.gz NRWMJHAHVBFXDI-UHFFFAOYSA-N 1 2 408.506 2.152 20 10 HECDLO COc1cccc(CNC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1O ZINC000745414812 1077820944 /nfs/dbraw/zinc/82/09/44/1077820944.db2.gz AMLAXRLYIMDFDN-UHFFFAOYSA-N 1 2 412.490 2.303 20 10 HECDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CCOC)Cc1scnc1C)cc2=O ZINC000785992586 1080353218 /nfs/dbraw/zinc/35/32/18/1080353218.db2.gz PGRVADCWFKNVQW-UHFFFAOYSA-N 1 2 405.480 2.025 20 10 HECDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CCOC)Cc1scnc1C)cc2=O ZINC000785992586 1080353221 /nfs/dbraw/zinc/35/32/21/1080353221.db2.gz PGRVADCWFKNVQW-UHFFFAOYSA-N 1 2 405.480 2.025 20 10 HECDLO O=C(Cc1c[nH]c2ccccc12)N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768441540 1080562451 /nfs/dbraw/zinc/56/24/51/1080562451.db2.gz DGVYUGCQPWRBHQ-OAQYLSRUSA-N 1 2 407.470 2.186 20 10 HECDLO Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768447801 1080565844 /nfs/dbraw/zinc/56/58/44/1080565844.db2.gz PTQYVRKNVCHVMJ-UZLBHIALSA-N 1 2 412.486 2.238 20 10 HECDLO CC(=O)N1CCN(c2ccc(CNC(=O)Cc3cn4cccc(C)c4[nH+]3)cc2)CC1 ZINC000786660106 1080746749 /nfs/dbraw/zinc/74/67/49/1080746749.db2.gz VXKUZWKBGYKJIQ-UHFFFAOYSA-N 1 2 405.502 2.170 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cnn(CC(F)(F)F)c3)CC2)cc1 ZINC000786840499 1080867728 /nfs/dbraw/zinc/86/77/28/1080867728.db2.gz DXSXAEAMWCKQNT-UHFFFAOYSA-N 1 2 411.428 2.006 20 10 HECDLO CN(C)c1ccc2c(c1)OCCN2C(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769245792 1081015536 /nfs/dbraw/zinc/01/55/36/1081015536.db2.gz MDOIMFAPDIUUAL-UHFFFAOYSA-N 1 2 418.538 2.467 20 10 HECDLO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000787298346 1081098269 /nfs/dbraw/zinc/09/82/69/1081098269.db2.gz OSODBQBPLZUUOW-UHFFFAOYSA-N 1 2 405.502 2.238 20 10 HECDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000745790573 1078645476 /nfs/dbraw/zinc/64/54/76/1078645476.db2.gz BALZOEYHAZFPKQ-CVEARBPZSA-N 1 2 412.481 2.277 20 10 HECDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000745790573 1078645479 /nfs/dbraw/zinc/64/54/79/1078645479.db2.gz BALZOEYHAZFPKQ-CVEARBPZSA-N 1 2 412.481 2.277 20 10 HECDLO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H]3CCCc4cn[nH]c43)CC2)cc1 ZINC000766845900 1079444779 /nfs/dbraw/zinc/44/47/79/1079444779.db2.gz MKVNEOWJGAKVEQ-FQEVSTJZSA-N 1 2 412.538 2.307 20 10 HECDLO Cc1nsc(N2CCC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000743859998 1077146298 /nfs/dbraw/zinc/14/62/98/1077146298.db2.gz NPLABEMKJADHFI-UHFFFAOYSA-N 1 2 402.568 2.083 20 10 HECDLO Cc1nsc(N2CCC[N@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000743859998 1077146306 /nfs/dbraw/zinc/14/63/06/1077146306.db2.gz NPLABEMKJADHFI-UHFFFAOYSA-N 1 2 402.568 2.083 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)C(=O)N[C@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000786722025 1080799962 /nfs/dbraw/zinc/79/99/62/1080799962.db2.gz HUEPKYFXJXTWLW-LJQANCHMSA-N 1 2 424.545 2.119 20 10 HECDLO COc1ccc(N2CC[NH+](CCNS(=O)(=O)Cc3ccc(C)c(F)c3)CC2)cc1 ZINC000768831036 1080815330 /nfs/dbraw/zinc/81/53/30/1080815330.db2.gz GHCOJPHFZBQOGN-UHFFFAOYSA-N 1 2 421.538 2.384 20 10 HECDLO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000745500526 1078516155 /nfs/dbraw/zinc/51/61/55/1078516155.db2.gz DJXYUHCTWSJGBH-ZDUSSCGKSA-N 1 2 400.317 2.407 20 10 HECDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)c(C)n1-c1cccc(Br)c1 ZINC000770665301 1078924607 /nfs/dbraw/zinc/92/46/07/1078924607.db2.gz IAXUMZVPUMYAOV-IRXDYDNUSA-N 1 2 407.308 2.467 20 10 HECDLO Cc1cc(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)c(C)n1-c1cccc(Br)c1 ZINC000770665301 1078924611 /nfs/dbraw/zinc/92/46/11/1078924611.db2.gz IAXUMZVPUMYAOV-IRXDYDNUSA-N 1 2 407.308 2.467 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])CC2)cc1 ZINC000771350296 1079301079 /nfs/dbraw/zinc/30/10/79/1079301079.db2.gz WPXMMVFVYPSGFV-UHFFFAOYSA-N 1 2 416.482 2.002 20 10 HECDLO CCC(CC)[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[NH+]1CCOCC1 ZINC000742051033 1076718658 /nfs/dbraw/zinc/71/86/58/1076718658.db2.gz PATBROBXLUWQPS-NRFANRHFSA-N 1 2 407.530 2.416 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)CSCc3ccccn3)CC2)cc1 ZINC000742919105 1076897647 /nfs/dbraw/zinc/89/76/47/1076897647.db2.gz CUAMWJIMQABJGK-UHFFFAOYSA-N 1 2 400.548 2.262 20 10 HECDLO CN(C)c1ccc(CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C2CC2)cc1 ZINC000743169509 1076986452 /nfs/dbraw/zinc/98/64/52/1076986452.db2.gz UKNRFSLRAUXLHJ-UHFFFAOYSA-N 1 2 412.538 2.478 20 10 HECDLO Cc1cc(NC(=O)CN2CC[NH+](Cc3cc(Br)ccc3O)CC2)no1 ZINC000768226734 1080430953 /nfs/dbraw/zinc/43/09/53/1080430953.db2.gz CBOCAGBKCGAQRK-UHFFFAOYSA-N 1 2 409.284 2.207 20 10 HECDLO COc1ccnc(N2CC[NH+](Cc3cc(Br)cc(OC)c3O)CC2)n1 ZINC000768263393 1080448486 /nfs/dbraw/zinc/44/84/86/1080448486.db2.gz FKDLTQHCCGOTIH-UHFFFAOYSA-N 1 2 409.284 2.284 20 10 HECDLO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000745500285 1078515031 /nfs/dbraw/zinc/51/50/31/1078515031.db2.gz DJXYUHCTWSJGBH-CYBMUJFWSA-N 1 2 400.317 2.407 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)C(=O)Nc3cccc(F)c3C)CC2)cc1 ZINC000746038227 1078740240 /nfs/dbraw/zinc/74/02/40/1078740240.db2.gz NNOBBNKDRHIEBG-UHFFFAOYSA-N 1 2 414.481 2.020 20 10 HECDLO C[C@@H]1C[N@H+](Cc2cccc(Br)c2O)CCN1c1nccn2cnnc12 ZINC000770279875 1078805062 /nfs/dbraw/zinc/80/50/62/1078805062.db2.gz IDDHILNBIICOBQ-GFCCVEGCSA-N 1 2 403.284 2.303 20 10 HECDLO C[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)CCN1c1nccn2cnnc12 ZINC000770279875 1078805064 /nfs/dbraw/zinc/80/50/64/1078805064.db2.gz IDDHILNBIICOBQ-GFCCVEGCSA-N 1 2 403.284 2.303 20 10 HECDLO CN(C)c1ccc2c(c1)OCCN2CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000746493060 1079231831 /nfs/dbraw/zinc/23/18/31/1079231831.db2.gz PMVJNEDIKFKKMA-UHFFFAOYSA-N 1 2 410.518 2.422 20 10 HECDLO CC[C@H]1C[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCN1CC(F)F ZINC000766267749 1076462293 /nfs/dbraw/zinc/46/22/93/1076462293.db2.gz HFXVRDOCRZTOEC-KRWDZBQOSA-N 1 2 410.509 2.005 20 10 HECDLO CC[C@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCN1CC(F)F ZINC000766267749 1076462296 /nfs/dbraw/zinc/46/22/96/1076462296.db2.gz HFXVRDOCRZTOEC-KRWDZBQOSA-N 1 2 410.509 2.005 20 10 HECDLO C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000741710163 1076600456 /nfs/dbraw/zinc/60/04/56/1076600456.db2.gz YPRPZLXRNHKTKR-PXNSSMCTSA-N 1 2 407.580 2.143 20 10 HECDLO C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000741710163 1076600465 /nfs/dbraw/zinc/60/04/65/1076600465.db2.gz YPRPZLXRNHKTKR-PXNSSMCTSA-N 1 2 407.580 2.143 20 10 HECDLO CCC1(O)CC[NH+](CC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1 ZINC000744410864 1077383620 /nfs/dbraw/zinc/38/36/20/1077383620.db2.gz WNVZXUYBGHMZPT-UHFFFAOYSA-N 1 2 419.547 2.161 20 10 HECDLO C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3CCCC[N@@H+]3C)cc2F)C[C@H](C)O1 ZINC000745080942 1077735315 /nfs/dbraw/zinc/73/53/15/1077735315.db2.gz YSTCWYPNPJHMTQ-GQIGUUNPSA-N 1 2 421.513 2.083 20 10 HECDLO C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3CCCC[N@H+]3C)cc2F)C[C@H](C)O1 ZINC000745080942 1077735327 /nfs/dbraw/zinc/73/53/27/1077735327.db2.gz YSTCWYPNPJHMTQ-GQIGUUNPSA-N 1 2 421.513 2.083 20 10 HECDLO CCOC1CC(CNC(=O)NCc2c(O)ccc3c2CCCC3)([NH+]2CCOCC2)C1 ZINC000767895130 1080209507 /nfs/dbraw/zinc/20/95/07/1080209507.db2.gz DMFWOSLYZLGMJQ-UHFFFAOYSA-N 1 2 417.550 2.340 20 10 HECDLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1c(O)ccc2c1CCCC2 ZINC000768159700 1080377427 /nfs/dbraw/zinc/37/74/27/1080377427.db2.gz QDCIMQFXJSTERR-UHFFFAOYSA-N 1 2 422.529 2.411 20 10 HECDLO O=C(c1ccccc1OC(F)F)N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768440889 1080561356 /nfs/dbraw/zinc/56/13/56/1080561356.db2.gz HJQULUBLRPWHGI-QGZVFWFLSA-N 1 2 420.412 2.377 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)C(F)(F)c3ncccc3C)CC2)cc1 ZINC000787249392 1081071258 /nfs/dbraw/zinc/07/12/58/1081071258.db2.gz YSMCVNSLVZBLBU-UHFFFAOYSA-N 1 2 404.461 2.429 20 10 HECDLO C[C@H]1C[N@H+](CCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000745790574 1078645468 /nfs/dbraw/zinc/64/54/68/1078645468.db2.gz BALZOEYHAZFPKQ-HOTGVXAUSA-N 1 2 412.481 2.277 20 10 HECDLO C[C@H]1C[N@@H+](CCNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000745790574 1078645470 /nfs/dbraw/zinc/64/54/70/1078645470.db2.gz BALZOEYHAZFPKQ-HOTGVXAUSA-N 1 2 412.481 2.277 20 10 HECDLO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000745810181 1078656468 /nfs/dbraw/zinc/65/64/68/1078656468.db2.gz YMNFTYXHMIFKSY-CQSZACIVSA-N 1 2 413.360 2.322 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)C(=O)Nc3cc(C)cc(F)c3)CC2)cc1 ZINC000770601316 1078902645 /nfs/dbraw/zinc/90/26/45/1078902645.db2.gz IYZJRCKPYIITDY-UHFFFAOYSA-N 1 2 414.481 2.020 20 10 HECDLO COc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)CC2)cc1 ZINC000804317650 1079248285 /nfs/dbraw/zinc/24/82/85/1079248285.db2.gz KVIAVIJEEVYDGJ-QFIPXVFZSA-N 1 2 422.529 2.083 20 10 HECDLO COc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)CC2)cc1 ZINC000804317650 1079248291 /nfs/dbraw/zinc/24/82/91/1079248291.db2.gz KVIAVIJEEVYDGJ-QFIPXVFZSA-N 1 2 422.529 2.083 20 10 HECDLO CCn1nc(C)c(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1Cl ZINC000742056961 1076721143 /nfs/dbraw/zinc/72/11/43/1076721143.db2.gz FJULDHPZESTMKK-UHFFFAOYSA-N 1 2 405.930 2.425 20 10 HECDLO COc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1O ZINC000768195583 1080410530 /nfs/dbraw/zinc/41/05/30/1080410530.db2.gz NQGRROYXRRMPPU-UHFFFAOYSA-N 1 2 402.516 2.396 20 10 HECDLO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768442001 1080562255 /nfs/dbraw/zinc/56/22/55/1080562255.db2.gz NCQGXKSOHOXAIX-UHFFFAOYSA-N 1 2 405.520 2.382 20 10 HECDLO O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000745591642 1078556122 /nfs/dbraw/zinc/55/61/22/1078556122.db2.gz CBTKHHSPFAAENN-HXUWFJFHSA-N 1 2 404.580 2.246 20 10 HECDLO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)c(C)n1-c1cccc(Br)c1 ZINC000770665528 1078925439 /nfs/dbraw/zinc/92/54/39/1078925439.db2.gz IAXUMZVPUMYAOV-DLBZAZTESA-N 1 2 407.308 2.467 20 10 HECDLO Cc1cc(C(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)c(C)n1-c1cccc(Br)c1 ZINC000770665528 1078925447 /nfs/dbraw/zinc/92/54/47/1078925447.db2.gz IAXUMZVPUMYAOV-DLBZAZTESA-N 1 2 407.308 2.467 20 10 HECDLO Cc1cc(C(=O)C[N@H+]2CCSC[C@@H]2C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000738339892 1075984572 /nfs/dbraw/zinc/98/45/72/1075984572.db2.gz JDOUOYYYXCOLJQ-AWEZNQCLSA-N 1 2 407.561 2.362 20 10 HECDLO Cc1cc(C(=O)C[N@@H+]2CCSC[C@@H]2C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000738339892 1075984577 /nfs/dbraw/zinc/98/45/77/1075984577.db2.gz JDOUOYYYXCOLJQ-AWEZNQCLSA-N 1 2 407.561 2.362 20 10 HECDLO CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@@H](C)[N@@H+]1CCc3ccccc3C1)cc2=O ZINC000740987703 1076319521 /nfs/dbraw/zinc/31/95/21/1076319521.db2.gz UFKUZLJWDKDSRB-CQSZACIVSA-N 1 2 424.457 2.102 20 10 HECDLO CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@@H](C)[N@H+]1CCc3ccccc3C1)cc2=O ZINC000740987703 1076319524 /nfs/dbraw/zinc/31/95/24/1076319524.db2.gz UFKUZLJWDKDSRB-CQSZACIVSA-N 1 2 424.457 2.102 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccn(-c4ccccc4)n3)CC2)cc1 ZINC000742919943 1076897914 /nfs/dbraw/zinc/89/79/14/1076897914.db2.gz LXCMAJHVODESSJ-UHFFFAOYSA-N 1 2 405.502 2.433 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cncn3-c3ccccc3)CC2)cc1 ZINC000742927261 1076898629 /nfs/dbraw/zinc/89/86/29/1076898629.db2.gz LIUBAKBIQPDURM-UHFFFAOYSA-N 1 2 405.502 2.433 20 10 HECDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743536432 1077070331 /nfs/dbraw/zinc/07/03/31/1077070331.db2.gz KMLPPWCBQIFWMU-JKSUJKDBSA-N 1 2 412.481 2.277 20 10 HECDLO C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CCCC[N@@H+]3C)cc2F)C[C@@H](C)O1 ZINC000745080944 1077735583 /nfs/dbraw/zinc/73/55/83/1077735583.db2.gz YSTCWYPNPJHMTQ-QINHECLXSA-N 1 2 421.513 2.083 20 10 HECDLO C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CCCC[N@H+]3C)cc2F)C[C@@H](C)O1 ZINC000745080944 1077735591 /nfs/dbraw/zinc/73/55/91/1077735591.db2.gz YSTCWYPNPJHMTQ-QINHECLXSA-N 1 2 421.513 2.083 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(OC(F)F)cn3)CC2)cc1 ZINC000771965043 1079612354 /nfs/dbraw/zinc/61/23/54/1079612354.db2.gz CZPCGMXSYFWUAG-UHFFFAOYSA-N 1 2 406.433 2.244 20 10 HECDLO CCOC1CC(CNC(=O)NCc2ccc3c(c2)CCCN3C)([NH+]2CCOCC2)C1 ZINC000767887448 1080203125 /nfs/dbraw/zinc/20/31/25/1080203125.db2.gz GYXWHHVKNAZGCJ-UHFFFAOYSA-N 1 2 416.566 2.138 20 10 HECDLO COc1ccc(O)c([C@H](C)NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000767958295 1080251181 /nfs/dbraw/zinc/25/11/81/1080251181.db2.gz NANJDJKOBWCTQU-INIZCTEOSA-N 1 2 412.490 2.102 20 10 HECDLO Cc1cc(N2CC[NH+](Cc3cccc(Br)c3O)CC2)n2ncnc2n1 ZINC000768303313 1080474538 /nfs/dbraw/zinc/47/45/38/1080474538.db2.gz OUJYJUNQZBRREK-UHFFFAOYSA-N 1 2 403.284 2.223 20 10 HECDLO O=C(Cc1c[nH]c2ccccc12)N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768441538 1080562322 /nfs/dbraw/zinc/56/23/22/1080562322.db2.gz DGVYUGCQPWRBHQ-NRFANRHFSA-N 1 2 407.470 2.186 20 10 HECDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1OC ZINC000768442401 1080563459 /nfs/dbraw/zinc/56/34/59/1080563459.db2.gz USHMAIFOLZCDPI-UHFFFAOYSA-N 1 2 400.431 2.096 20 10 HECDLO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)c1 ZINC000768444405 1080564459 /nfs/dbraw/zinc/56/44/59/1080564459.db2.gz AXDCAWAAUDNZGX-HRAATJIYSA-N 1 2 412.486 2.238 20 10 HECDLO O=C(Cc1ccccc1Cl)N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768444810 1080564498 /nfs/dbraw/zinc/56/44/98/1080564498.db2.gz YMRWEMKZPLPTNV-LJQANCHMSA-N 1 2 402.878 2.358 20 10 HECDLO O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1C[NH+]1CCOCC1 ZINC000746133374 1078801792 /nfs/dbraw/zinc/80/17/92/1078801792.db2.gz IBGIOZDFBVNVRU-UHFFFAOYSA-N 1 2 413.493 2.425 20 10 HECDLO CC[NH+]1CCN(c2ccc(CNC(=O)CCSc3nnc(C)[nH]3)cc2F)CC1 ZINC000746228725 1078821867 /nfs/dbraw/zinc/82/18/67/1078821867.db2.gz FIAVTPCEQRFNHT-UHFFFAOYSA-N 1 2 406.531 2.193 20 10 HECDLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745904148 1078985026 /nfs/dbraw/zinc/98/50/26/1078985026.db2.gz MMECSYILZPRIMJ-MRXNPFEDSA-N 1 2 412.481 2.230 20 10 HECDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000767779861 1080077480 /nfs/dbraw/zinc/07/74/80/1080077480.db2.gz XAPGAUVSYYHIHP-KRWDZBQOSA-N 1 2 401.486 2.485 20 10 HECDLO CCOC(=O)c1ccc(S(=O)(=O)N2CC[NH+](Cc3cc(C)ccc3O)CC2)cc1 ZINC000768159144 1080377513 /nfs/dbraw/zinc/37/75/13/1080377513.db2.gz AWEKTFUTBFMZQO-UHFFFAOYSA-N 1 2 418.515 2.384 20 10 HECDLO NC(=O)c1ccc(N2CC[NH+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)nc1 ZINC000768381462 1080534694 /nfs/dbraw/zinc/53/46/94/1080534694.db2.gz BMFMZDQCAAWXPM-UHFFFAOYSA-N 1 2 424.505 2.401 20 10 HECDLO O=C(COc1ccc(Cl)cc1)N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768439882 1080560343 /nfs/dbraw/zinc/56/03/43/1080560343.db2.gz LSRHRSCIAIVFHN-LJQANCHMSA-N 1 2 418.877 2.195 20 10 HECDLO COc1cccc(OCC[NH+]2CCN(Cc3cc4c(cc3O)OC[C@H]4O)CC2)c1 ZINC000768462949 1080583340 /nfs/dbraw/zinc/58/33/40/1080583340.db2.gz PFOKFXKWAIIDLM-OAQYLSRUSA-N 1 2 400.475 2.023 20 10 HECDLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000769328573 1081044153 /nfs/dbraw/zinc/04/41/53/1081044153.db2.gz RBOPIDGETCYESO-GOSISDBHSA-N 1 2 418.557 2.227 20 10 HECDLO O=C1c2ccccc2C(=O)N1C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000769530969 1081111650 /nfs/dbraw/zinc/11/16/50/1081111650.db2.gz CECMZOBGOGSRMQ-HXUWFJFHSA-N 1 2 421.497 2.020 20 10 HECDLO O=C1c2ccccc2C(=O)N1C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000769530969 1081111660 /nfs/dbraw/zinc/11/16/60/1081111660.db2.gz CECMZOBGOGSRMQ-HXUWFJFHSA-N 1 2 421.497 2.020 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)CSc3nc(C)cc(C)n3)CC2)cc1 ZINC000742917249 1076897315 /nfs/dbraw/zinc/89/73/15/1076897315.db2.gz VGYQLDVTUMWDHK-UHFFFAOYSA-N 1 2 415.563 2.133 20 10 HECDLO CCc1nsc(N2CCC[N@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000743875343 1077157670 /nfs/dbraw/zinc/15/76/70/1077157670.db2.gz NJWDHLKIUMPFRJ-UHFFFAOYSA-N 1 2 416.595 2.337 20 10 HECDLO CCc1nsc(N2CCC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000743875343 1077157677 /nfs/dbraw/zinc/15/76/77/1077157677.db2.gz NJWDHLKIUMPFRJ-UHFFFAOYSA-N 1 2 416.595 2.337 20 10 HECDLO CN(C)c1ccc(CNC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000744269802 1077355655 /nfs/dbraw/zinc/35/56/55/1077355655.db2.gz VZACRLYUOGYJQG-UHFFFAOYSA-N 1 2 412.534 2.463 20 10 HECDLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cc(-c2ccccc2)ccc1O ZINC000768160838 1080378040 /nfs/dbraw/zinc/37/80/40/1080378040.db2.gz SWTNDPAVIFEZGN-IBGZPJMESA-N 1 2 402.516 2.184 20 10 HECDLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cc(-c2ccccc2)ccc1O ZINC000768160838 1080378050 /nfs/dbraw/zinc/37/80/50/1080378050.db2.gz SWTNDPAVIFEZGN-IBGZPJMESA-N 1 2 402.516 2.184 20 10 HECDLO COc1ccc(C[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000768193815 1080408688 /nfs/dbraw/zinc/40/86/88/1080408688.db2.gz RAIVFFIPUYQHKD-MRXNPFEDSA-N 1 2 405.472 2.319 20 10 HECDLO COc1ccc(C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000768193815 1080408694 /nfs/dbraw/zinc/40/86/94/1080408694.db2.gz RAIVFFIPUYQHKD-MRXNPFEDSA-N 1 2 405.472 2.319 20 10 HECDLO O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000745591639 1078556167 /nfs/dbraw/zinc/55/61/67/1078556167.db2.gz CBTKHHSPFAAENN-FQEVSTJZSA-N 1 2 404.580 2.246 20 10 HECDLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000745790576 1078645595 /nfs/dbraw/zinc/64/55/95/1078645595.db2.gz BALZOEYHAZFPKQ-JKSUJKDBSA-N 1 2 412.481 2.277 20 10 HECDLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000745790576 1078645599 /nfs/dbraw/zinc/64/55/99/1078645599.db2.gz BALZOEYHAZFPKQ-JKSUJKDBSA-N 1 2 412.481 2.277 20 10 HECDLO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)c(C)n1-c1ccc(Br)cc1 ZINC000770665569 1078925373 /nfs/dbraw/zinc/92/53/73/1078925373.db2.gz KDVRJCWMWYBIQY-DLBZAZTESA-N 1 2 407.308 2.467 20 10 HECDLO Cc1cc(C(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)c(C)n1-c1ccc(Br)cc1 ZINC000770665569 1078925375 /nfs/dbraw/zinc/92/53/75/1078925375.db2.gz KDVRJCWMWYBIQY-DLBZAZTESA-N 1 2 407.308 2.467 20 10 HECDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000766406148 1078955706 /nfs/dbraw/zinc/95/57/06/1078955706.db2.gz PFLAMKITJHGISJ-UHFFFAOYSA-N 1 2 414.535 2.428 20 10 HECDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000738340594 1075984499 /nfs/dbraw/zinc/98/44/99/1075984499.db2.gz MMYQABWSWRMTPQ-UHFFFAOYSA-N 1 2 423.605 2.465 20 10 HECDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000738340594 1075984503 /nfs/dbraw/zinc/98/45/03/1075984503.db2.gz MMYQABWSWRMTPQ-UHFFFAOYSA-N 1 2 423.605 2.465 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(Cn4cccn4)o3)CC2)cc1 ZINC000742920328 1076897756 /nfs/dbraw/zinc/89/77/56/1076897756.db2.gz OBIYFAAUNNHVOA-UHFFFAOYSA-N 1 2 409.490 2.085 20 10 HECDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000744414225 1077377531 /nfs/dbraw/zinc/37/75/31/1077377531.db2.gz KBJLAPQAJAQPPI-UHFFFAOYSA-N 1 2 408.502 2.384 20 10 HECDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000744414225 1077377539 /nfs/dbraw/zinc/37/75/39/1077377539.db2.gz KBJLAPQAJAQPPI-UHFFFAOYSA-N 1 2 408.502 2.384 20 10 HECDLO C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3CCCC[N@@H+]3C)cc2F)C[C@@H](C)O1 ZINC000745080943 1077735528 /nfs/dbraw/zinc/73/55/28/1077735528.db2.gz YSTCWYPNPJHMTQ-JXXFODFXSA-N 1 2 421.513 2.083 20 10 HECDLO C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@H]3CCCC[N@H+]3C)cc2F)C[C@@H](C)O1 ZINC000745080943 1077735539 /nfs/dbraw/zinc/73/55/39/1077735539.db2.gz YSTCWYPNPJHMTQ-JXXFODFXSA-N 1 2 421.513 2.083 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3coc(C4CCOCC4)n3)CC2)cc1 ZINC000767753947 1080070357 /nfs/dbraw/zinc/07/03/57/1080070357.db2.gz FAEDJPOIUWAIHZ-UHFFFAOYSA-N 1 2 414.506 2.129 20 10 HECDLO COc1ccc(CCC(=O)N2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)cc1 ZINC000768440083 1080560304 /nfs/dbraw/zinc/56/03/04/1080560304.db2.gz NRZOIHMROOLRBG-OAQYLSRUSA-N 1 2 412.486 2.104 20 10 HECDLO COc1cccc(OCC[NH+]2CCN(Cc3cc4c(cc3O)OC[C@@H]4O)CC2)c1 ZINC000768462947 1080583921 /nfs/dbraw/zinc/58/39/21/1080583921.db2.gz PFOKFXKWAIIDLM-NRFANRHFSA-N 1 2 400.475 2.023 20 10 HECDLO CCOc1cccc(C[NH+]2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)c1O ZINC000768549451 1080623245 /nfs/dbraw/zinc/62/32/45/1080623245.db2.gz QMEBWRKKTWDLKP-UHFFFAOYSA-N 1 2 411.568 2.418 20 10 HECDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769470304 1081090575 /nfs/dbraw/zinc/09/05/75/1081090575.db2.gz KZMYCJDBADGKDE-UHFFFAOYSA-N 1 2 410.474 2.389 20 10 HECDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745802373 1078653432 /nfs/dbraw/zinc/65/34/32/1078653432.db2.gz LKOQZBHFBIFLGG-HOTGVXAUSA-N 1 2 412.481 2.277 20 10 HECDLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745802373 1078653435 /nfs/dbraw/zinc/65/34/35/1078653435.db2.gz LKOQZBHFBIFLGG-HOTGVXAUSA-N 1 2 412.481 2.277 20 10 HECDLO Nc1nsc(N2CC[NH+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)n1 ZINC000770301781 1078823536 /nfs/dbraw/zinc/82/35/36/1078823536.db2.gz CHDSSPYQQMIBSH-UHFFFAOYSA-N 1 2 403.512 2.341 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3[nH]nc(C)c3Br)CC2)cc1 ZINC000742916747 1076897065 /nfs/dbraw/zinc/89/70/65/1076897065.db2.gz LFEZUXUSZRFBNI-UHFFFAOYSA-N 1 2 422.327 2.041 20 10 HECDLO CCOC1CC(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)([NH+]2CCOCC2)C1 ZINC000767888442 1080203735 /nfs/dbraw/zinc/20/37/35/1080203735.db2.gz TZDQIMTYSBHUFR-NNDYNSRJSA-N 1 2 407.511 2.031 20 10 HECDLO COc1ccc(OC)c(S(=O)(=O)N2CC[NH+](Cc3cc(C)ccc3O)CC2)c1 ZINC000768201576 1080391939 /nfs/dbraw/zinc/39/19/39/1080391939.db2.gz VADHRPWZGUFMAS-UHFFFAOYSA-N 1 2 406.504 2.224 20 10 HECDLO Cc1cc(O)c(C[NH+]2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1C ZINC000768218652 1080422509 /nfs/dbraw/zinc/42/25/09/1080422509.db2.gz RNQHMBPNTVMWGS-UHFFFAOYSA-N 1 2 416.503 2.097 20 10 HECDLO Cn1ncc2c1ncnc2N1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000768234937 1080434865 /nfs/dbraw/zinc/43/48/65/1080434865.db2.gz SJCOJWRLCZYMJJ-UHFFFAOYSA-N 1 2 403.284 2.154 20 10 HECDLO CN1CCCc2cc(CNC(=O)C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)ccc21 ZINC000786467337 1080612010 /nfs/dbraw/zinc/61/20/10/1080612010.db2.gz FTVJLSKGZWENNT-UHFFFAOYSA-N 1 2 421.545 2.387 20 10 HECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000786500543 1080659706 /nfs/dbraw/zinc/65/97/06/1080659706.db2.gz PTALMIUUARPEEA-UHFFFAOYSA-N 1 2 409.534 2.413 20 10 HECDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000767779866 1080078162 /nfs/dbraw/zinc/07/81/62/1080078162.db2.gz XAPGAUVSYYHIHP-QGZVFWFLSA-N 1 2 401.486 2.485 20 10 HECDLO Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768447796 1080565960 /nfs/dbraw/zinc/56/59/60/1080565960.db2.gz PTQYVRKNVCHVMJ-OXJNMPFZSA-N 1 2 412.486 2.238 20 10 HECDLO CCN(Cc1cc(Br)ccc1O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000745792658 1078649915 /nfs/dbraw/zinc/64/99/15/1078649915.db2.gz QPBSDMPIQDNFFI-ZDUSSCGKSA-N 1 2 400.317 2.407 20 10 HECDLO CCN(Cc1cc(Br)ccc1O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000745792658 1078649921 /nfs/dbraw/zinc/64/99/21/1078649921.db2.gz QPBSDMPIQDNFFI-ZDUSSCGKSA-N 1 2 400.317 2.407 20 10 HECDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000770003227 1078681803 /nfs/dbraw/zinc/68/18/03/1078681803.db2.gz QYOVZUOXTSNAJM-HXUWFJFHSA-N 1 2 404.467 2.309 20 10 HECDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000770003227 1078681809 /nfs/dbraw/zinc/68/18/09/1078681809.db2.gz QYOVZUOXTSNAJM-HXUWFJFHSA-N 1 2 404.467 2.309 20 10 HECDLO COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)CC2)cc1 ZINC000804317649 1079248259 /nfs/dbraw/zinc/24/82/59/1079248259.db2.gz KVIAVIJEEVYDGJ-JOCHJYFZSA-N 1 2 422.529 2.083 20 10 HECDLO COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)CC2)cc1 ZINC000804317649 1079248264 /nfs/dbraw/zinc/24/82/64/1079248264.db2.gz KVIAVIJEEVYDGJ-JOCHJYFZSA-N 1 2 422.529 2.083 20 10 HECDLO CCc1noc2ncc(C(=O)NCC[NH+]3CCN(c4ccc(OC)cc4)CC3)cc12 ZINC000742917515 1076897349 /nfs/dbraw/zinc/89/73/49/1076897349.db2.gz YZERQTOFCOTLMM-UHFFFAOYSA-N 1 2 409.490 2.346 20 10 HECDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743536429 1077070370 /nfs/dbraw/zinc/07/03/70/1077070370.db2.gz KMLPPWCBQIFWMU-HOTGVXAUSA-N 1 2 412.481 2.277 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)C(=O)Nc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000743899284 1077212366 /nfs/dbraw/zinc/21/23/66/1077212366.db2.gz RKOZCNTVPUGDCN-UHFFFAOYSA-N 1 2 421.501 2.053 20 10 HECDLO CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@H](c1ccccc1)[N@H+](C)CC)cc2=O ZINC000745097998 1077729983 /nfs/dbraw/zinc/72/99/83/1077729983.db2.gz PKXUAIHMRKJVAM-SFHVURJKSA-N 1 2 412.446 2.348 20 10 HECDLO CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)cc2=O ZINC000745097998 1077729987 /nfs/dbraw/zinc/72/99/87/1077729987.db2.gz PKXUAIHMRKJVAM-SFHVURJKSA-N 1 2 412.446 2.348 20 10 HECDLO C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CCCC[N@@H+]3C)cc2F)C[C@H](C)O1 ZINC000745080945 1077735134 /nfs/dbraw/zinc/73/51/34/1077735134.db2.gz YSTCWYPNPJHMTQ-YRNRMSPPSA-N 1 2 421.513 2.083 20 10 HECDLO C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3CCCC[N@H+]3C)cc2F)C[C@H](C)O1 ZINC000745080945 1077735152 /nfs/dbraw/zinc/73/51/52/1077735152.db2.gz YSTCWYPNPJHMTQ-YRNRMSPPSA-N 1 2 421.513 2.083 20 10 HECDLO COc1cc(C[NH+]2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)c(O)cc1C ZINC000768440108 1080560187 /nfs/dbraw/zinc/56/01/87/1080560187.db2.gz DCYVNQFXJVRMLG-UHFFFAOYSA-N 1 2 411.568 2.336 20 10 HECDLO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000786469779 1080613168 /nfs/dbraw/zinc/61/31/68/1080613168.db2.gz YJWVVSRJEICGHI-UHFFFAOYSA-N 1 2 419.529 2.381 20 10 HECDLO CCc1nc(CN2CC[NH+](Cc3cc(Br)cc(OC)c3O)CC2)no1 ZINC000769383827 1081059355 /nfs/dbraw/zinc/05/93/55/1081059355.db2.gz KGSRBWRDOATPEW-UHFFFAOYSA-N 1 2 411.300 2.427 20 10 HECDLO CCOC1CC(CNC(=O)NCCCSc2nccs2)([NH+]2CCOCC2)C1 ZINC000770740678 1078999175 /nfs/dbraw/zinc/99/91/75/1078999175.db2.gz QTFWGJFSAAFFCB-UHFFFAOYSA-N 1 2 414.597 2.194 20 10 HECDLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000741732688 1076613022 /nfs/dbraw/zinc/61/30/22/1076613022.db2.gz IHRQLFSMYSAPNG-QHCPKHFHSA-N 1 2 409.530 2.272 20 10 HECDLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000741732688 1076613028 /nfs/dbraw/zinc/61/30/28/1076613028.db2.gz IHRQLFSMYSAPNG-QHCPKHFHSA-N 1 2 409.530 2.272 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cnn(-c4ccccn4)c3C)CC2)cc1 ZINC000742920439 1076897735 /nfs/dbraw/zinc/89/77/35/1076897735.db2.gz PUQMSXNHKQSGFA-UHFFFAOYSA-N 1 2 420.517 2.136 20 10 HECDLO COC(=O)c1ccc(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000742920746 1076897795 /nfs/dbraw/zinc/89/77/95/1076897795.db2.gz NBDQWQQMDPKSTD-UHFFFAOYSA-N 1 2 403.504 2.095 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)C(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000743432236 1077046817 /nfs/dbraw/zinc/04/68/17/1077046817.db2.gz KLWMEJZTTVKZPB-UHFFFAOYSA-N 1 2 422.529 2.061 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)C(=O)Nc3cc(F)ccc3C)CC2)cc1 ZINC000743442584 1077051004 /nfs/dbraw/zinc/05/10/04/1077051004.db2.gz OKQRBMJRBHFLDK-UHFFFAOYSA-N 1 2 414.481 2.020 20 10 HECDLO CCOC1CC(CNC(=O)NCc2ccc(N3CCCC3)cc2)([NH+]2CCOCC2)C1 ZINC000767777955 1080084304 /nfs/dbraw/zinc/08/43/04/1080084304.db2.gz FOWXCYBIPCOQRJ-UHFFFAOYSA-N 1 2 416.566 2.356 20 10 HECDLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCOc4cc(N(C)C)ccc43)CC2)cc1 ZINC000746492681 1080338465 /nfs/dbraw/zinc/33/84/65/1080338465.db2.gz JIYRNDBGJKMKAI-UHFFFAOYSA-N 1 2 424.545 2.304 20 10 HECDLO COc1ccc(C(=O)N2CC[NH+](Cc3cc(OC)c(OC)cc3O)CC2)cc1OC ZINC000768440908 1080561239 /nfs/dbraw/zinc/56/12/39/1080561239.db2.gz VGXUPSPJUKFWGZ-UHFFFAOYSA-N 1 2 416.474 2.385 20 10 HECDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1OC ZINC000768447023 1080564974 /nfs/dbraw/zinc/56/49/74/1080564974.db2.gz QIWKEOUNZOYESQ-UHFFFAOYSA-N 1 2 401.419 2.276 20 10 HECDLO CN(C)c1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000768498535 1080594160 /nfs/dbraw/zinc/59/41/60/1080594160.db2.gz QZXJSYYZKRJGJF-GOSISDBHSA-N 1 2 405.543 2.103 20 10 HECDLO CN(C)c1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000768498535 1080594167 /nfs/dbraw/zinc/59/41/67/1080594167.db2.gz QZXJSYYZKRJGJF-GOSISDBHSA-N 1 2 405.543 2.103 20 10 HECDLO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000786463419 1080643074 /nfs/dbraw/zinc/64/30/74/1080643074.db2.gz QALYDJVIBFXVHX-UHFFFAOYSA-N 1 2 409.534 2.379 20 10 HECDLO O=C(NCCCSc1nccs1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000786501181 1080659563 /nfs/dbraw/zinc/65/95/63/1080659563.db2.gz SADAUNKOEJGCCC-UHFFFAOYSA-N 1 2 405.549 2.053 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(Br)nc3)CC2)cc1 ZINC000746592880 1080715462 /nfs/dbraw/zinc/71/54/62/1080715462.db2.gz IMUSTNPBMGJQLK-UHFFFAOYSA-N 1 2 419.323 2.405 20 10 HECDLO C[C@@H](NC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(N(C)C)cc1 ZINC000787299469 1081095061 /nfs/dbraw/zinc/09/50/61/1081095061.db2.gz VWHPTZBRLBJQEK-QGZVFWFLSA-N 1 2 405.502 2.491 20 10 HECDLO C[C@H](NC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(N(C)C)cc1 ZINC000787299468 1081095264 /nfs/dbraw/zinc/09/52/64/1081095264.db2.gz VWHPTZBRLBJQEK-KRWDZBQOSA-N 1 2 405.502 2.491 20 10 HECDLO CN1CCCc2cc(CNC(=O)C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)ccc21 ZINC000787298316 1081098349 /nfs/dbraw/zinc/09/83/49/1081098349.db2.gz OHJLITISBMLHBC-UHFFFAOYSA-N 1 2 417.513 2.246 20 10 HECDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745802375 1078653383 /nfs/dbraw/zinc/65/33/83/1078653383.db2.gz LKOQZBHFBIFLGG-JKSUJKDBSA-N 1 2 412.481 2.277 20 10 HECDLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745802375 1078653386 /nfs/dbraw/zinc/65/33/86/1078653386.db2.gz LKOQZBHFBIFLGG-JKSUJKDBSA-N 1 2 412.481 2.277 20 10 HECDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](OCC(F)(F)F)C3)CC2)cc1 ZINC000738318295 1075988778 /nfs/dbraw/zinc/98/87/78/1075988778.db2.gz CXUHBIUMTQSQKJ-GOSISDBHSA-N 1 2 415.456 2.387 20 10 HECDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](OCC(F)(F)F)C3)CC2)cc1 ZINC000738318295 1075988782 /nfs/dbraw/zinc/98/87/82/1075988782.db2.gz CXUHBIUMTQSQKJ-GOSISDBHSA-N 1 2 415.456 2.387 20 10 HECDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)cc1 ZINC000742920478 1076897773 /nfs/dbraw/zinc/89/77/73/1076897773.db2.gz QNKZPJMGHQSACB-UHFFFAOYSA-N 1 2 420.517 2.136 20 10 HECDLO Cc1cc(C(=O)C[NH+]2CCC(NC(N)=O)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000746484766 1079557506 /nfs/dbraw/zinc/55/75/06/1079557506.db2.gz VJUPRGHRDBDPFA-UHFFFAOYSA-N 1 2 412.490 2.181 20 10 HECDLO O=C(Cc1ccccc1Cl)N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768444809 1080564519 /nfs/dbraw/zinc/56/45/19/1080564519.db2.gz YMRWEMKZPLPTNV-IBGZPJMESA-N 1 2 402.878 2.358 20 10 HECDLO Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768447793 1080565890 /nfs/dbraw/zinc/56/58/90/1080565890.db2.gz PTQYVRKNVCHVMJ-JXFKEZNVSA-N 1 2 412.486 2.238 20 10 HECDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 ZINC000769539745 1081116022 /nfs/dbraw/zinc/11/60/22/1081116022.db2.gz MPIDVENVGFMKTQ-UHFFFAOYSA-N 1 2 416.474 2.385 20 10 HECDLO